"","zinc_id","zinc_id_short","name","smiles"
"1","ZINC000000000017","ZINC17","Albendazole Oxide","CCC[S@](=O)c1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1"
"2","ZINC000000000023","ZINC23","Alprenolol","C=CCc1ccccc1OC[C@H](O)CNC(C)C"
"3","ZINC000000000038","ZINC38","Amylocaine","CC[C@](C)(CN(C)C)OC(=O)c1ccccc1"
"4","ZINC000000000053","ZINC53","Aspirin","CC(=O)Oc1ccccc1C(=O)O"
"5","ZINC000000000061","ZINC61","Baclofen","NC[C@H](CC(=O)O)c1ccc(Cl)cc1"
"6","ZINC000000000063","ZINC63","Befunolol","CC(=O)c1cc2cccc(OC[C@H](O)CNC(C)C)c2o1"
"7","ZINC000000000075","ZINC75","Benzoclidine","O=C(O[C@@H]1CN2CCC1CC2)c1ccccc1"
"8","ZINC000000000083","ZINC83"," ","C[C@@H](C[N+](C)(C)C)OC(N)=O"
"9","ZINC000000000095","ZINC95","Bromodiphenhydramine","CN(C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1"
"10","ZINC000000000096","ZINC96","Dexbrompheniramine","CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1"
"11","ZINC000000000099","ZINC99","Bucetin","CCOc1ccc(NC(=O)C[C@@H](C)O)cc1"
"12","ZINC000000000106","ZINC106","Bupranol","Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)C)c1"
"13","ZINC000000000113","ZINC113","Cadralazine","CCOC(=O)NNc1ccc(N(CC)C[C@@H](C)O)nn1"
"14","ZINC000000000122","ZINC122","Carbinoxamine","CN(C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1"
"15","ZINC000000000128","ZINC128","Carteolol","CC(C)(C)NC[C@@H](O)COc1cccc2c1CCC(=O)N2"
"16","ZINC000000000133","ZINC133","Chlormezanone","CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1"
"17","ZINC000000000135","ZINC135","P-Chlorophenyl","OC[C@@H](O)COc1ccc(Cl)cc1"
"18","ZINC000000000136","ZINC136","Chlorphenesin","NC(=O)OC[C@@H](O)COc1ccc(Cl)cc1"
"19","ZINC000000000164","ZINC164","Climbazole","CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1ccnc1"
"20","ZINC000000000166","ZINC166","Clobutinol","C[C@H](CN(C)C)[C@](C)(O)Cc1ccc(Cl)cc1"
"21","ZINC000000000188","ZINC188","Cyamemazine","C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21"
"22","ZINC000000000189","ZINC189"," ","C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1"
"23","ZINC000000000196","ZINC196","Cyclopentolate","CN(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1"
"24","ZINC000000000199","ZINC199","Cycrimine","O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCC1"
"25","ZINC000000000215","ZINC215","Diethylpropion","CCN(CC)[C@@H](C)C(=O)c1ccccc1"
"26","ZINC000000000226","ZINC226","Acedoben","CC(=O)Nc1ccc(C(=O)O)cc1"
"27","ZINC000000000242","ZINC242","Doxylamine","CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1"
"28","ZINC000000000250","ZINC250","Eperisone","CCc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1"
"29","ZINC000000000257","ZINC257","Esmolol","COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1"
"30","ZINC000000000267","ZINC267","Ethclorvynol","C#C[C@@](O)(/C=C/Cl)CC"
"31","ZINC000000000268","ZINC268","Ethoheptazine","CCOC(=O)[C@]1(c2ccccc2)CCCN(C)CC1"
"32","ZINC000000000271","ZINC271","Ethotoin","CCN1C(=O)N[C@H](c2ccccc2)C1=O"
"33","ZINC000000000276","ZINC276","Etidocaine","CCCN(CC)[C@@H](CC)C(=O)Nc1c(C)cccc1C"
"34","ZINC000000000293","ZINC293","Fenethylline","C[C@H](Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C"
"35","ZINC000000000294","ZINC294","Fenfluramine","CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1"
"36","ZINC000000000301","ZINC301","Fenoprofen","C[C@H](C(=O)O)c1cccc(Oc2ccccc2)c1"
"37","ZINC000000000305","ZINC305","Fenquizone","NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1)NC2=O"
"38","ZINC000000000315","ZINC315","Flm","C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23"
"39","ZINC000000000323","ZINC323","Flurbiprofen","C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1"
"40","ZINC000000000346","ZINC346","Cuvposa","C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1"
"41","ZINC000000000347","ZINC347","Granisetron","CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2"
"42","ZINC000000000353","ZINC353","Tussin","COc1ccccc1OC[C@H](O)CO"
"43","ZINC000000000363","ZINC363","Hexocyclium","C[N+]1(C)CCN(C[C@@](O)(c2ccccc2)C2CCCCC2)CC1"
"44","ZINC000000000365","ZINC365","Hexylcaine","C[C@H](CNC1CCCCC1)OC(=O)c1ccccc1"
"45","ZINC000000000368","ZINC368"," ","C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2"
"46","ZINC000000000371","ZINC371","Hydrastinine","CN1CCc2cc3c(cc2[C@H]1O)OCO3"
"47","ZINC000000000373","ZINC373","Hydroxyamphetamine","C[C@@H](N)Cc1ccc(O)cc1"
"48","ZINC000000000374","ZINC374","Hydroxyhexamide","C[C@@H](O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1"
"49","ZINC000000000391","ZINC391","Indoprofen","C[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1"
"50","ZINC000000000399","ZINC399","Isoaminile","CC(C)[C@](C#N)(C[C@H](C)N(C)C)c1ccccc1"
"51","ZINC000000000401","ZINC401","Isoetharine","CC[C@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1"
"52","ZINC000000000404","ZINC404","Isothipendyl","C[C@@H](CN1c2ccccc2Sc2cccnc21)N(C)C"
"53","ZINC000000000407","ZINC407","Isoxsuprine","C[C@H](N[C@H](C)COc1ccccc1)[C@@H](O)c1ccc(O)cc1"
"54","ZINC000000000416","ZINC416","Labetalol","C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1"
"55","ZINC000000000431","ZINC431","Ativan","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1O"
"56","ZINC000000000432","ZINC432","Loramet","CN1C(=O)[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21"
"57","ZINC000000000435","ZINC435","Loxoprofen","C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1"
"58","ZINC000000000440","ZINC440","Mazindol","O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21"
"59","ZINC000000000449","ZINC449","Cantil","C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"
"60","ZINC000000000450","ZINC450","Mephenesin","Cc1ccccc1OC[C@H](O)CO"
"61","ZINC000000000453","ZINC453","Mephentoin","CC[C@]1(c2ccccc2)NC(=O)N(C)C1=O"
"62","ZINC000000000456","ZINC456","Mepivacaine","Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C"
"63","ZINC000000000460","ZINC460","Meptazinol","CC[C@]1(c2cccc(O)c2)CCCCN(C)C1"
"64","ZINC000000000469","ZINC469","Orciprenaline","CC(C)NC[C@@H](O)c1cc(O)cc(O)c1"
"65","ZINC000000000471","ZINC471","Skelaxin","Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1"
"66","ZINC000000000480","ZINC480","Methdilazine","CN1CC[C@H](CN2c3ccccc3Sc3ccccc32)C1"
"67","ZINC000000000487","ZINC487","Methoxyphenamine","CN[C@@H](C)Cc1ccccc1OC"
"68","ZINC000000000490","ZINC490"," ","COC(=O)c1ccccc1O"
"69","ZINC000000000491","ZINC491","Methylephedrin","C[C@@H]([C@H](O)c1ccccc1)N(C)C"
"70","ZINC000000000494","ZINC494","Metipranolol","CC(=O)Oc1c(C)cc(OC[C@H](O)CNC(C)C)c(C)c1C"
"71","ZINC000000000500","ZINC500","Mexenone","COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1"
"72","ZINC000000000504","ZINC504","Mianserin","CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1"
"73","ZINC000000000506","ZINC506","Milnacipran","CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN"
"74","ZINC000000000507","ZINC507","Midodrine","COc1ccc(OC)c([C@H](O)CNC(=O)CN)c1"
"75","ZINC000000000509","ZINC509","Mirtazapine","CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1"
"76","ZINC000000000513","ZINC513","Moprolol","COc1ccccc1OC[C@H](O)CNC(C)C"
"77","ZINC000000000546","ZINC546","Nirvanol","CC[C@]1(c2ccccc2)NC(=O)NC1=O"
"78","ZINC000000000558","ZINC558","Octopamine","NC[C@@H](O)c1ccc(O)cc1"
"79","ZINC000000000563","ZINC563","Ornidazole","Cc1ncc([N+](=O)[O-])n1C[C@H](O)CCl"
"80","ZINC000000000565","ZINC565","Orphenadrine","Cc1ccccc1[C@H](OCCN(C)C)c1ccccc1"
"81","ZINC000000000570","ZINC570","Oxamniquine","CC(C)NC[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1"
"82","ZINC000000000575","ZINC575","Oxazepam","O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O"
"83","ZINC000000000589","ZINC589","Pelubiprofen","C[C@H](C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1"
"84","ZINC000000000591","ZINC591","Pemoline","NC1=NC(=O)[C@H](c2ccccc2)O1"
"85","ZINC000000000596","ZINC596","Pentazocine","CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C"
"86","ZINC000000000607","ZINC607","Pheniramine","CN(C)CC[C@@H](c1ccccc1)c1ccccn1"
"87","ZINC000000000609","ZINC609","Phenmetrazine","C[C@H]1NCCO[C@@H]1c1ccccc1"
"88","ZINC000000000615","ZINC615","Pholedrine","CN[C@@H](C)Cc1ccc(O)cc1"
"89","ZINC000000000627","ZINC627","Pimethixene","CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1"
"90","ZINC000000000633","ZINC633","Pipradrol","OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCCN1"
"91","ZINC000000000637","ZINC637","Pirbuterol","CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)n1"
"92","ZINC000000000641","ZINC641","Pirlindole","Cc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1"
"93","ZINC000000000642","ZINC642","Pirmenol","C[C@H]1CCC[C@@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1"
"94","ZINC000000000646","ZINC646","Pirprofen","C[C@H](C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1"
"95","ZINC000000000652","ZINC652","Practolol","CC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)cc1"
"96","ZINC000000000654","ZINC654","Pranoprofen","C[C@H](C(=O)O)c1ccc2c(c1)Cc1cccnc1O2"
"97","ZINC000000000655","ZINC655","Biltricide","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1"
"98","ZINC000000000666","ZINC666","Pronetalol","CC(C)NC[C@@H](O)c1ccc2ccccc2c1"
"99","ZINC000000000669","ZINC669","Propiomazine","CCC(=O)c1ccc2c(c1)N(C[C@H](C)N(C)C)c1ccccc1S2"
"100","ZINC000000000677","ZINC677","Protokylol","C[C@@H](Cc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(O)c1"
"101","ZINC000000000686","ZINC686","Quinethazon","CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1"
"102","ZINC000000000688","ZINC688"," ","C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"103","ZINC000000000693","ZINC693","Demser","C[C@](N)(Cc1ccc(O)cc1)C(=O)O"
"104","ZINC000000000711","ZINC711","Secnidazole","Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O"
"105","ZINC000000000724","ZINC724","Stiripentol","CC(C)(C)[C@@H](O)/C=C/c1ccc2c(c1)OCO2"
"106","ZINC000000000733","ZINC733","Oxedrine","CNC[C@@H](O)c1ccc(O)cc1"
"107","ZINC000000000740","ZINC740","Restoril","CN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21"
"108","ZINC000000000741","ZINC741","Mdma","C[C@@H](N)Cc1ccc2c(c1)OCO2"
"109","ZINC000000000746","ZINC746","Terbutaline","CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1"
"110","ZINC000000000747","ZINC747","Terizidone","O=C1NOC[C@@H]1/N=C/c1ccc(/C=N/[C@@H]2CONC2=O)cc1"
"111","ZINC000000000748","ZINC748","Tertatolol","CC(C)(C)NC[C@@H](O)COc1cccc2c1SCCC2"
"112","ZINC000000000751","ZINC751","Tbz","COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2"
"113","ZINC000000000767","ZINC767","Tiaprofensaeure","C[C@H](C(=O)O)c1ccc(C(=O)c2ccccc2)s1"
"114","ZINC000000000786","ZINC786","Tocainide","Cc1cccc(C)c1NC(=O)[C@@H](C)N"
"115","ZINC000000000797","ZINC797","Tranilast","COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC"
"116","ZINC000000000808","ZINC808","Trimeprazine","C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21"
"117","ZINC000000000816","ZINC816","Trofosfamide","O=[P@@]1(N(CCCl)CCCl)OCCCN1CCCl"
"118","ZINC000000000833","ZINC833","Viloxazine","CCOc1ccccc1OC[C@@H]1CNCCO1"
"119","ZINC000000000843","ZINC843"," ","CN(CCO)C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C"
"120","ZINC000000000850","ZINC850","Zyflo","C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O"
"121","ZINC000000000853","ZINC853","Tramadol","COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1"
"122","ZINC000000000854","ZINC854","Meptazinol","CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1"
"123","ZINC000000000855","ZINC855"," ","CN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1"
"124","ZINC000000000856","ZINC856","Formoterol","COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1"
"125","ZINC000000000865","ZINC865","Acetaminosalol","CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1"
"126","ZINC000000000867","ZINC867","Adaprin","CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12"
"127","ZINC000000000882","ZINC882","Ade","Nc1ncnc2[nH]cnc12"
"128","ZINC000000000903","ZINC903","Alprazolam","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"
"129","ZINC000000000905","ZINC905","Hmm","CN(C)c1nc(N(C)C)nc(N(C)C)n1"
"130","ZINC000000000917","ZINC917","Amifloxacin","CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21"
"131","ZINC000000000920","ZINC920","Pab","Nc1ccc(C(=O)O)cc1"
"132","ZINC000000000922","ZINC922","Pas","Nc1ccc(C(=O)O)c(O)c1"
"133","ZINC000000000928","ZINC928","Amlexanox","CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1"
"134","ZINC000000000931","ZINC931","Amoxapine","Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2"
"135","ZINC000000000941","ZINC941","Arimidex","CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1"
"136","ZINC000000000949","ZINC949","Anetholtrithion","COc1ccc(-c2cc(=S)ss2)cc1"
"137","ZINC000000000973","ZINC973","Avobenzone","COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1"
"138","ZINC000000001003","ZINC1003","Benorilate","CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1"
"139","ZINC000000001011","ZINC1011","Benzoate","O=C(O)c1ccccc1"
"140","ZINC000000001016","ZINC1016","Benzoyl","O=C(OOC(=O)c1ccccc1)c1ccccc1"
"141","ZINC000000001021","ZINC1021","Benzyl Benzoate","O=C(OCc1ccccc1)c1ccccc1"
"142","ZINC000000001028","ZINC1028","Betazole","NCCc1cc[nH]n1"
"143","ZINC000000001035","ZINC1035","Bitoscanate","S=C=Nc1ccc(N=C=S)cc1"
"144","ZINC000000001041","ZINC1041","Bretylium","CC[N+](C)(C)Cc1ccccc1Br"
"145","ZINC000000001051","ZINC1051","Bromazepam","O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1"
"146","ZINC000000001064","ZINC1064","Broxyquinoline","Oc1c(Br)cc(Br)c2cccnc12"
"147","ZINC000000001084","ZINC1084","Caffeine","Cn1c(=O)c2c(ncn2C)n(C)c1=O"
"148","ZINC000000001091","ZINC1091","Carbimazol","CCOC(=O)n1ccn(C)c1=S"
"149","ZINC000000001098","ZINC1098","Carsalam","O=c1nc(O)c2ccccc2o1"
"150","ZINC000000001099","ZINC1099","Carzenide","NS(=O)(=O)c1ccc(C(=O)O)cc1"
"151","ZINC000000001115","ZINC1115","Leukeran","O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1"
"152","ZINC000000001131","ZINC1131","Chloroxine","Oc1c(Cl)cc(Cl)c2cccnc12"
"153","ZINC000000001132","ZINC1132","Chloroxylenol","Cc1cc(O)cc(C)c1Cl"
"154","ZINC000000001136","ZINC1136","Chlorproguanil","CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1"
"155","ZINC000000001137","ZINC1137","Chlorprothixene","CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21"
"156","ZINC000000001145","ZINC1145","Ciclopirox","Cc1cc(C2CCCCC2)n(O)c(=O)c1"
"157","ZINC000000001148","ZINC1148","Doxepin","CN(C)CC/C=C1/c2ccccc2COc2ccccc21"
"158","ZINC000000001175","ZINC1175","Onfi","CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21"
"159","ZINC000000001187","ZINC1187","Clofibric Acid","CC(C)(Oc1ccc(Cl)cc1)C(=O)O"
"160","ZINC000000001195","ZINC1195","Clonixin","Cc1c(Cl)cccc1Nc1ncccc1C(=O)O"
"161","ZINC000000001207","ZINC1207","Clotiazepam","CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl"
"162","ZINC000000001217","ZINC1217","Cotinina","CN1C(=O)CC[C@@H]1c1cccnc1"
"163","ZINC000000001233","ZINC1233","Cycloguanil","CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1"
"164","ZINC000000001239","ZINC1239","Cyromazine","Nc1nc(N)nc(NC2CC2)n1"
"165","ZINC000000001246","ZINC1246","Dapiprazole","Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1"
"166","ZINC000000001261","ZINC1261","Aerius","Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1"
"167","ZINC000000001266","ZINC1266","Lofexidine","C[C@H](Oc1c(Cl)cccc1Cl)C1=NCCN1"
"168","ZINC000000001267","ZINC1267","Methylphenidate","COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1"
"169","ZINC000000001270","ZINC1270","Diacetamate","CC(=O)Nc1ccc(OC(C)=O)cc1"
"170","ZINC000000001271","ZINC1271","Diamthazole","CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1"
"171","ZINC000000001275","ZINC1275","Dibenzepin","CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21"
"172","ZINC000000001281","ZINC1281","Diclofenac","O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl"
"173","ZINC000000001283","ZINC1283","Dienestrol","C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1"
"174","ZINC000000001288","ZINC1288","Carbamazine","CCN(CC)C(=O)N1CCN(C)CC1"
"175","ZINC000000001290","ZINC1290","Diethylstilbestrol","CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1"
"176","ZINC000000001291","ZINC1291","Diethyltoluamide","CCN(CC)C(=O)c1cccc(C)c1"
"177","ZINC000000001299","ZINC1299","Diloxanide","CN(C(=O)C(Cl)Cl)c1ccc(O)cc1"
"178","ZINC000000001300","ZINC1300","Diloxanide Furoate","CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1"
"179","ZINC000000001316","ZINC1316","Dipyrocetyl","CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O"
"180","ZINC000000001317","ZINC1317","Disofenin","CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O"
"181","ZINC000000001320","ZINC1320","Ditazole","OCCN(CCO)c1nc(-c2ccccc2)c(-c2ccccc2)o1"
"182","ZINC000000001322","ZINC1322","Anthralin","O=C1c2c(O)cccc2Cc2cccc(O)c21"
"183","ZINC000000001329","ZINC1329","Dothiepin","CN(C)CC/C=C1/c2ccccc2CSc2ccccc21"
"184","ZINC000000001331","ZINC1331","Doxepin","CN(C)CC/C=C1\c2ccccc2COc2ccccc21"
"185","ZINC000000001341","ZINC1341","Edrophonium","CC[N+](C)(C)c1cccc(O)c1"
"186","ZINC000000001342","ZINC1342","Efloxate","CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1"
"187","ZINC000000001370","ZINC1370","Estazolam","Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2"
"188","ZINC000000001377","ZINC1377","Queryl","CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C"
"189","ZINC000000001382","ZINC1382","Ethacrynate","C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl"
"190","ZINC000000001385","ZINC1385","Ethinamat","C#CC1(OC(N)=O)CCCCC1"
"191","ZINC000000001395","ZINC1395","Eticlopride","CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O"
"192","ZINC000000001402","ZINC1402","Etizolam","CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl"
"193","ZINC000000001408","ZINC1408","Amidate","CCOC(=O)c1cncn1[C@H](C)c1ccccc1"
"194","ZINC000000001411","ZINC1411","Eugenol","C=CCc1ccc(O)c(OC)c1"
"195","ZINC000000001427","ZINC1427","Fenbufen","O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1"
"196","ZINC000000001441","ZINC1441","Fenspiride","O=C1NCC2(CCN(CCc3ccccc3)CC2)O1"
"197","ZINC000000001444","ZINC1444","Fentiazac","O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1"
"198","ZINC000000001454","ZINC1454","Flopropione","CCC(=O)c1c(O)cc(O)cc1O"
"199","ZINC000000001460","ZINC1460","Fludiazepam","CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21"
"200","ZINC000000001464","ZINC1464","Romazicon","CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2"
"201","ZINC000000001473","ZINC1473","Flupirtine","CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N"
"202","ZINC000000001490","ZINC1490","Ftaxilide","Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O"
"203","ZINC000000001504","ZINC1504","Galop","O=C(O)c1cc(O)c(O)c(O)c1"
"204","ZINC000000001505","ZINC1505","Ganciclovir","Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1"
"205","ZINC000000001522","ZINC1522","Guanabenz","N=C(N)N/N=C/c1c(Cl)cccc1Cl"
"206","ZINC000000001547","ZINC1547","Hydroxystilbamidine","N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1"
"207","ZINC000000001548","ZINC1548","2,3-Cresotate","Cc1cccc(C(=O)O)c1O"
"208","ZINC000000001554","ZINC1554","Acne","O=C(O)c1ccccc1O"
"209","ZINC000000001567","ZINC1567","Indoramin","O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1"
"210","ZINC000000001579","ZINC1579","Iproniazid","CC(C)NNC(=O)c1ccncc1"
"211","ZINC000000001585","ZINC1585","Isaxonine","CC(C)Nc1ncccn1"
"212","ZINC000000001587","ZINC1587","Isocarboxazide","Cc1cc(C(=O)NNCc2ccccc2)no1"
"213","ZINC000000001590","ZINC1590","Hydrazide","NNC(=O)c1ccncc1"
"214","ZINC000000001600","ZINC1600","Cymidon","CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1"
"215","ZINC000000001601","ZINC1601","Kinetin","c1coc(CNc2ncnc3[nH]cnc23)c1"
"216","ZINC000000001612","ZINC1612","Fenfluramine","CCN[C@H](C)Cc1cccc(C(F)(F)F)c1"
"217","ZINC000000001624","ZINC1624","(-)-Lobeline","CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1"
"218","ZINC000000001632","ZINC1632","Lonidamine","O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12"
"219","ZINC000000001644","ZINC1644","Mafenide","NCc1ccc(S(N)(=O)=O)cc1"
"220","ZINC000000001651","ZINC1651","Mebhydrolin","CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1"
"221","ZINC000000001655","ZINC1655","Meclofenamate","Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl"
"222","ZINC000000001672","ZINC1672","Melperone","CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1"
"223","ZINC000000001673","ZINC1673","Melphalan","N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O"
"224","ZINC000000001676","ZINC1676","Karan","CCCC(=O)Oc1cc(C)c(OC(=O)CCC)c2ccccc12"
"225","ZINC000000001677","ZINC1677","Mnq","CC1=CC(=O)c2ccccc2C1=O"
"226","ZINC000000001681","ZINC1681","Pethidine","CCOC(=O)C1(c2ccccc2)CCN(C)CC1"
"227","ZINC000000001682","ZINC1682","Mepiprazole","Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1"
"228","ZINC000000001683","ZINC1683","Mepiroxol","[O-][n+]1cccc(CO)c1"
"229","ZINC000000001684","ZINC1684","Mequinol","COc1ccc(O)cc1"
"230","ZINC000000001688","ZINC1688","Asacol","Nc1ccc(O)c(C(=O)O)c1"
"231","ZINC000000001691","ZINC1691","Metacetamol","CC(=O)Nc1cccc(O)c1"
"232","ZINC000000001695","ZINC1695","Metaraminol","C[C@H](N)[C@H](O)c1cccc(O)c1"
"233","ZINC000000001706","ZINC1706","Nikomet","COC(=O)c1cccnc1"
"234","ZINC000000001718","ZINC1718","Meticrane","Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2"
"235","ZINC000000001728","ZINC1728","Metyrapone","CC(C)(C(=O)c1cccnc1)c1cccnc1"
"236","ZINC000000001735","ZINC1735","Minoxidil","Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]"
"237","ZINC000000001748","ZINC1748","Benzoquin","Oc1ccc(OCc2ccccc2)cc1"
"238","ZINC000000001750","ZINC1750","Morantel","Cc1ccsc1/C=C/C1=NCCCN1C"
"239","ZINC000000001758","ZINC1758","Myfortic","COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2"
"240","ZINC000000001773","ZINC1773","Naltrexone","O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"
"241","ZINC000000001792","ZINC1792","Neostigmine","CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1"
"242","ZINC000000001795","ZINC1795","Niaspan","O=C(O)c1cccnc1"
"243","ZINC000000001797","ZINC1797","Nicopholine","O=C(c1cccnc1)N1CCOCC1"
"244","ZINC000000001798","ZINC1798","Nicotrol","CN1CCC[C@@H]1c1cccnc1"
"245","ZINC000000001808","ZINC1808","Nifuroxazide","O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1"
"246","ZINC000000001850","ZINC1850","Olopatadine","CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21"
"247","ZINC000000001852","ZINC1852","Oltipraz","Cc1c(-c2cnccn2)ssc1=S"
"248","ZINC000000001872","ZINC1872","Oxiniacic Acid","O=C(O)c1ccc[n+]([O-])c1"
"249","ZINC000000001874","ZINC1874","Oxolamine","CCN(CC)CCc1nc(-c2ccccc2)no1"
"250","ZINC000000001885","ZINC1885","Parachlorophenol","Oc1ccc(Cl)cc1"
"251","ZINC000000001886","ZINC1886","Paraldehyde","CC1OC(C)OC(C)O1"
"252","ZINC000000001890","ZINC1890","Paroxypropione","CCC(=O)c1ccc(O)cc1"
"253","ZINC000000001894","ZINC1894","Pefloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21"
"254","ZINC000000001898","ZINC1898","Penbutolol","CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1"
"255","ZINC000000001899","ZINC1899","Penciclovir","Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1"
"256","ZINC000000001916","ZINC1916","Phenacemide","NC(=O)NC(=O)Cc1ccccc1"
"257","ZINC000000001927","ZINC1927","D-Phenylalanine","N[C@H](Cc1ccccc1)C(=O)O"
"258","ZINC000000001930","ZINC1930","Phenylpropanolamine","C[C@@H](N)[C@@H](O)c1ccccc1"
"259","ZINC000000001931","ZINC1931","Phenyltoloxamine","CN(C)CCOc1ccccc1Cc1ccccc1"
"260","ZINC000000001944","ZINC1944","Picolamine","NCc1cccnc1"
"261","ZINC000000001950","ZINC1950","Duna","C#CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21"
"262","ZINC000000001958","ZINC1958","Esbriet","Cc1ccc(=O)n(-c2ccccc2)c1"
"263","ZINC000000001968","ZINC1968","Pizotifen","CN1CCC(=C2c3ccccc3CCc3sccc32)CC1"
"264","ZINC000000001971","ZINC1971","Prazepam","O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1"
"265","ZINC000000001979","ZINC1979","Mysoline","CCC1(c2ccccc2)C(=O)NCNC1=O"
"266","ZINC000000001982","ZINC1982","Probenecid","CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1"
"267","ZINC000000001984","ZINC1984","Fenofibric Acid","CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O"
"268","ZINC000000001995","ZINC1995","Proquazone","Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1"
"269","ZINC000000002005","ZINC2005","Pza","N=C(O)c1cnccn1"
"270","ZINC000000002009","ZINC2009","Pyridostigmine","CN(C)C(=O)Oc1ccc[n+](C)c1"
"271","ZINC000000002028","ZINC2028","Resorcin","Oc1cccc(O)c1"
"272","ZINC000000002041","ZINC2041","Ropinirole","CCCN(CCC)CCc1cccc2c1CC(=O)N2"
"273","ZINC000000002042","ZINC2042","Ros","CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21"
"274","ZINC000000002043","ZINC2043","Rotoxamine","CN(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1"
"275","ZINC000000002055","ZINC2055","Salicylamide","NC(=O)c1ccccc1O"
"276","ZINC000000002060","ZINC2060"," ","CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1O"
"277","ZINC000000002062","ZINC2062","Salsalate","O=C(Oc1ccccc1C(=O)O)c1ccccc1O"
"278","ZINC000000002092","ZINC2092","Sulfacytine","CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O"
"279","ZINC000000002094","ZINC2094","Sulfadoxine","COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC"
"280","ZINC000000002097","ZINC2097","Sulfalene","COc1nccnc1NS(=O)(=O)c1ccc(N)cc1"
"281","ZINC000000002101","ZINC2101","Avc","Nc1ccc(S(N)(=O)=O)cc1"
"282","ZINC000000002105","ZINC2105","Sulfapyridine","Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1"
"283","ZINC000000002114","ZINC2114","Sulfisoxazole Acetyl","CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1"
"284","ZINC000000002137","ZINC2137","Terpin","CC1(O)CCC(C(C)(C)O)CC1"
"285","ZINC000000002144","ZINC2144","Musaril","CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21"
"286","ZINC000000002151","ZINC2151","Theobromine","Cn1cnc2c1c(=O)[nH]c(=O)n2C"
"287","ZINC000000002159","ZINC2159","Ldt","Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O"
"288","ZINC000000002166","ZINC2166","Ticrynafen","O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl"
"289","ZINC000000002176","ZINC2176","Timolol","CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1"
"290","ZINC000000002181","ZINC2181","Tioxolone","O=c1oc2cc(O)ccc2s1"
"291","ZINC000000002188","ZINC2188","Clotam","Cc1c(Cl)cccc1Nc1ccccc1C(=O)O"
"292","ZINC000000002191","ZINC2191","Tolmetin","Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1"
"293","ZINC000000002202","ZINC2202","Trapidil","CCN(CC)c1cc(C)nc2ncnn12"
"294","ZINC000000002212","ZINC2212","Halcion","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2"
"295","ZINC000000002216","ZINC2216","Hand","Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl"
"296","ZINC000000002220","ZINC2220","Triflusal","CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O"
"297","ZINC000000002226","ZINC2226","Trioxsalen","Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1"
"298","ZINC000000002232","ZINC2232","Pernazene","Cc1ccc(C(C)C)c(OCC2=NCCN2)c1"
"299","ZINC000000002233","ZINC2233","Tyramine","NCCc1ccc(O)cc1"
"300","ZINC000000002235","ZINC2235","Uracil Mustard","O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1"
"301","ZINC000000002264","ZINC2264","Zotepine","CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21"
"302","ZINC000000002272","ZINC2272","Ketoprofen","C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1"
"303","ZINC000000002273","ZINC2273","Orciprenaline","CC(C)NC[C@H](O)c1cc(O)cc(O)c1"
"304","ZINC000000002276","ZINC2276","Bupranol","Cc1ccc(Cl)c(OC[C@H](O)CNC(C)(C)C)c1"
"305","ZINC000000002279","ZINC2279","Ketorolac","O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O"
"306","ZINC000000002281","ZINC2281","Terbutaline","CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1"
"307","ZINC000000002282","ZINC2282","Tiaprofensaeure","C[C@@H](C(=O)O)c1ccc(C(=O)c2ccccc2)s1"
"308","ZINC000000002283","ZINC2283","Tocainide","Cc1cccc(C)c1NC(=O)[C@H](C)N"
"309","ZINC000000002299","ZINC2299"," ","CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1"
"310","ZINC000000002318","ZINC2318","Felbinac","O=C(O)Cc1ccc(-c2ccccc2)cc1"
"311","ZINC000000002645","ZINC2645","Irsogladine","Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1"
"312","ZINC000000002646","ZINC2646","Tiamenidine","Cc1csc(Cl)c1NC1=NCCN1"
"313","ZINC000000002647","ZINC2647","Ibuprofen","CC(C)Cc1ccc([C@H](C)C(=O)O)cc1"
"314","ZINC000000002688","ZINC2688","Anzemet","O=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12"
"315","ZINC000000002748","ZINC2748","Efaroxan","CC[C@@]1(C2=NCCN2)Cc2ccccc2O1"
"316","ZINC000000003642","ZINC3642","Lodine","CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3"
"317","ZINC000000003711","ZINC3711","Velnacrine","Nc1c2c(nc3ccccc13)CCC[C@@H]2O"
"318","ZINC000000003742","ZINC3742","Norfloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21"
"319","ZINC000000003788","ZINC3788","Nefiracetam","Cc1cccc(C)c1NC(=O)CN1CCCC1=O"
"320","ZINC000000003837","ZINC3837","Doxofylline","Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O"
"321","ZINC000000003876","ZINC3876","Ambien","Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1"
"322","ZINC000000003877","ZINC3877","Guaimesal","COc1ccccc1O[C@]1(C)OC(=O)c2ccccc2O1"
"323","ZINC000000003911","ZINC3911","Dobutamine","C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1"
"324","ZINC000000003986","ZINC3986","Moguisteine","CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC"
"325","ZINC000000004009","ZINC4009","Diflucan","OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F"
"326","ZINC000000004028","ZINC4028","Neupro","CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1"
"327","ZINC000000004076","ZINC4076","Naratriptan","CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1"
"328","ZINC000000004166","ZINC4166","Sotalol","CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1"
"329","ZINC000000004227","ZINC4227","Isotazin","CCN(CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21"
"330","ZINC000000004234","ZINC4234","Ibudilast","CC(C)C(=O)c1c(C(C)C)nn2ccccc12"
"331","ZINC000000004285","ZINC4285","Chlorophenylpiperazine","Clc1cccc(N2CCNCC2)c1"
"332","ZINC000000004319","ZINC4319","Dilevalol","C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1"
"333","ZINC000000004321","ZINC4321","Zonegran","NS(=O)(=O)Cc1noc2ccccc12"
"334","ZINC000000004351","ZINC4351","Alaway","CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"
"335","ZINC000000004400","ZINC4400"," ","Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1"
"336","ZINC000000004413","ZINC4413","Rivastigmine","CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1"
"337","ZINC000000004448","ZINC4448","Zofran","Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O"
"338","ZINC000000004531","ZINC4531","Seproxetine","NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1"
"339","ZINC000000004724","ZINC4724","Trileptal","NC(=O)N1c2ccccc2CC(=O)c2ccccc21"
"340","ZINC000000004726","ZINC4726","P-Chlorobenzenesulfonamide","NS(=O)(=O)c1ccc(Cl)cc1"
"341","ZINC000000004759","ZINC4759","Sibutramine","CC(C)C[C@@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1"
"342","ZINC000000004760","ZINC4760","Procyclidine","O[C@](CCN1CCCC1)(c1ccccc1)C1CCCCC1"
"343","ZINC000000004778","ZINC4778","Nev","Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1"
"344","ZINC000000004785","ZINC4785","Tegretol","NC(=O)N1c2ccccc2C=Cc2ccccc21"
"345","ZINC000000004840","ZINC4840","Arava","Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1"
"346","ZINC000000004893","ZINC4893","Asenapine","CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1"
"347","ZINC000000004942","ZINC4942","Ciprofibrate","CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)O"
"348","ZINC000000004949","ZINC4949","Gabapentin","NCC1(CC(=O)O)CCCCC1"
"349","ZINC000000005151","ZINC5151","Neupro","CCCN(CCc1cccs1)[C@@H]1CCc2c(O)cccc2C1"
"350","ZINC000000005152","ZINC5152","Pregabalin","CC(C)C[C@H](CN)CC(=O)O"
"351","ZINC000000005191","ZINC5191","Buflomedil","COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1"
"352","ZINC000000005298","ZINC5298"," ","CN(C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12"
"353","ZINC000000005349","ZINC5349","Apazone","CCC[C@H]1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O"
"354","ZINC000000005423","ZINC5423","Febuxostat","Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O"
"355","ZINC000000005560","ZINC5560","Ketoprofen","C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1"
"356","ZINC000000005608","ZINC5608","S20098","COc1ccc2cccc(CCNC(C)=O)c2c1"
"357","ZINC000000005626","ZINC5626","Lofexidine","C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1"
"358","ZINC000000005823","ZINC5823","Demadex","Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1"
"359","ZINC000000005878","ZINC5878","Nam","NC(=O)c1cccnc1"
"360","ZINC000000005895","ZINC5895","Rizatriptan","CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12"
"361","ZINC000000005898","ZINC5898","Nornicotin","c1cncc([C@H]2CCCN2)c1"
"362","ZINC000000005994","ZINC5994"," ","Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1"
"363","ZINC000000006016","ZINC6016","Effexor","COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1"
"364","ZINC000000006047","ZINC6047","5-Hydroxymethyl Tolterodine","CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C"
"365","ZINC000000006156","ZINC6156","Modafinil","NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1"
"366","ZINC000000006157","ZINC6157","Epinastine","NC1=NC[C@@H]2c3ccccc3Cc3ccccc3N12"
"367","ZINC000000006164","ZINC6164"," ","CC1(C)CO[C@@H](CC(=O)O)CN1"
"368","ZINC000000006226","ZINC6226","Ferriprox","Cc1c(O)c(=O)ccn1C"
"369","ZINC000000006251","ZINC6251","Efinaconazole","C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1"
"370","ZINC000000006300","ZINC6300","Sonata","CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1"
"371","ZINC000000006310","ZINC6310","Aczone","Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1"
"372","ZINC000000006427","ZINC6427","Diazepam","CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21"
"373","ZINC000000006481","ZINC6481","Rilutek","Nc1nc2ccc(OC(F)(F)F)cc2s1"
"374","ZINC000000006486","ZINC6486","Fasudil","O=S(=O)(c1cccc2cnccc12)N1CCCNCC1"
"375","ZINC000000006556","ZINC6556","2-Phenyl-1,3-Propanediol Monocarbamate","N=C(O)OC[C@@H](CO)c1ccccc1"
"376","ZINC000000006588","ZINC6588"," ","CCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C"
"377","ZINC000000006694","ZINC6694","Cox","Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1"
"378","ZINC000000006787","ZINC6787","Resveratrol","Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1"
"379","ZINC000000006923","ZINC6923","Reboxetine","CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1"
"380","ZINC000000006990","ZINC6990"," ","Fc1ccc(-c2cncc(CNC[C@@H]3CCc4ccccc4O3)c2)cc1"
"381","ZINC000000007295","ZINC7295","Eslicarbazepine Acetate","CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21"
"382","ZINC000000007368","ZINC7368","Imidafenacin","Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1"
"383","ZINC000000007455","ZINC7455","Rofecoxib","CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1"
"384","ZINC000000007563","ZINC7563","Lumiracoxib","Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1"
"385","ZINC000000007601","ZINC7601","Salbutamol","CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1"
"386","ZINC000000007673","ZINC7673","Vimpat","COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1"
"387","ZINC000000007782","ZINC7782","Banzel","NC(=O)c1cn(Cc2c(F)cccc2F)nn1"
"388","ZINC000000008492","ZINC8492","Oxyquinoline","Oc1cccc2cccnc12"
"389","ZINC000000008667","ZINC8667","Flurbiprofen","C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1"
"390","ZINC000000008736","ZINC8736","Pardoprunox","CN1CCN(c2cccc3[nH]c(=O)oc23)CC1"
"391","ZINC000000009073","ZINC9073","Apomorphine","CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3"
"392","ZINC000000009342","ZINC9342","Desvenlafaxine","CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1"
"393","ZINC000000009689","ZINC9689","Starlix","CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1"
"394","ZINC000000009708","ZINC9708","Rilmenidine","C1COC(NC(C2CC2)C2CC2)=N1"
"395","ZINC000000009710","ZINC9710","Indeloxazine","C1=Cc2cccc(OC[C@@H]3CNCCO3)c2C1"
"396","ZINC000000010163","ZINC10163","Evoxac","C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1"
"397","ZINC000000010164","ZINC10164","Cevimeline","C[C@H]1O[C@@]2(CS1)CN1CCC2CC1"
"398","ZINC000000010402","ZINC10402","Promazine","CN(C)CCCN1c2ccccc2Sc2ccccc21"
"399","ZINC000000011012","ZINC11012","Ketorolac","O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)O"
"400","ZINC000000012342","ZINC12342","Ndga","C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1"
"401","ZINC000000012346","ZINC12346","Epivir","Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1"
"402","ZINC000000012614","ZINC12614","Betamipron","O=C(O)CCNC(=O)c1ccccc1"
"403","ZINC000000013156","ZINC13156","Lamictal","Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1"
"404","ZINC000000013245","ZINC13245","Protocatechualdehyde","O=Cc1ccc(O)c(O)c1"
"405","ZINC000000013748","ZINC13748","Idazoxan","c1ccc2c(c1)OC[C@H](C1=NCCN1)O2"
"406","ZINC000000013936","ZINC13936","Liranaftate","COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1"
"407","ZINC000000014007","ZINC14007","Altol","CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1"
"408","ZINC000000014037","ZINC14037","Milnacipran","CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN"
"409","ZINC000000014257","ZINC14257","Celontin","CN1C(=O)C[C@](C)(c2ccccc2)C1=O"
"410","ZINC000000014360","ZINC14360","Imigran","CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1"
"411","ZINC000000014551","ZINC14551","Ifenprodil","C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"
"412","ZINC000000014669","ZINC14669","Ifenprodil","C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"
"413","ZINC000000014864","ZINC14864","Vcz","C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"
"414","ZINC000000015515","ZINC15515","Zmt","CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12"
"415","ZINC000000016154","ZINC16154","Potiga","CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N"
"416","ZINC000000016678","ZINC16678","Zaltoprofen","C[C@H](C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2"
"417","ZINC000000016956","ZINC16956","Tegafur","O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1F"
"418","ZINC000000018087","ZINC18087","Almotriptan","CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12"
"419","ZINC000000018635","ZINC18635","Frovatriptan","CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1"
"420","ZINC000000020220","ZINC20220","Ciprofloxacin","O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O"
"421","ZINC000000020221","ZINC20221","Nabumetona","COc1ccc2cc(CCC(C)=O)ccc2c1"
"422","ZINC000000020228","ZINC20228","Bupropion","C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1"
"423","ZINC000000020229","ZINC20229","Sulpirid","CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC"
"424","ZINC000000020230","ZINC20230","Salbutamol","CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1"
"425","ZINC000000020231","ZINC20231","Apraclonidine","Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1"
"426","ZINC000000020235","ZINC20235","Carprofen","C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12"
"427","ZINC000000020236","ZINC20236","Tulobuterol","CC(C)(C)NC[C@@H](O)c1ccccc1Cl"
"428","ZINC000000020237","ZINC20237","Emla","CCN(CC)CC(=O)Nc1c(C)cccc1C"
"429","ZINC000000020240","ZINC20240","Propranolol","CC(C)NC[C@@H](O)COc1cccc2ccccc12"
"430","ZINC000000020241","ZINC20241","Mefenamic","Cc1cccc(Nc2ccccc2C(=O)O)c1C"
"431","ZINC000000020243","ZINC20243","Diflunisal","O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O"
"432","ZINC000000020244","ZINC20244","Diphenhydramine","CN(C)CCOC(c1ccccc1)c1ccccc1"
"433","ZINC000000020245","ZINC20245","Tofranil","CN(C)CCCN1c2ccccc2CCc2ccccc21"
"434","ZINC000000020246","ZINC20246","Levomepromazine","COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2"
"435","ZINC000000020248","ZINC20248","Clomipramine","CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21"
"436","ZINC000000020249","ZINC20249","Dothiepin","CN(C)CC/C=C1\c2ccccc2CSc2ccccc21"
"437","ZINC000000020250","ZINC20250","Promethazine","C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C"
"438","ZINC000000020251","ZINC20251","Phentolamine","Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1"
"439","ZINC000000020252","ZINC20252","Fenoterol","C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1"
"440","ZINC000000020253","ZINC20253","Thalitone","NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl"
"441","ZINC000000020255","ZINC20255","Amd","C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O"
"442","ZINC000000020257","ZINC20257","Mexiletine","Cc1cccc(C)c1OC[C@@H](C)N"
"443","ZINC000000020259","ZINC20259","Pseudoephedrine","CN[C@@H](C)[C@@H](O)c1ccccc1"
"444","ZINC000000020260","ZINC20260","Oxyphencyclimine","CN1CCCN=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1"
"445","ZINC000000020783","ZINC20783","Tapentadol","CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C"
"446","ZINC000000021067","ZINC21067","Sarizotan","Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1"
"447","ZINC000000021620","ZINC21620"," ","COc1cc2c([C@@H](C)CNC(C)=O)c[nH]c2cc1Cl"
"448","ZINC000000024409","ZINC24409","Descarbonyl-Lacosamide","COC[C@@H](N)C(=O)NCc1ccccc1"
"449","ZINC000000024890","ZINC24890","Tazarotenic Acid","CC1(C)CCSc2ccc(C#Cc3ccc(C(=O)O)cn3)cc21"
"450","ZINC000000025958","ZINC25958","Rucaparib","CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1"
"451","ZINC000000031164","ZINC31164","Anabasin","c1cncc([C@H]2CCCCN2)c1"
"452","ZINC000000031165","ZINC31165","Anabasine","c1cncc([C@@H]2CCCCN2)c1"
"453","ZINC000000032350","ZINC32350","Cinoxacin","CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3"
"454","ZINC000000033882","ZINC33882","Dopamine","NCCc1ccc(O)c(O)c1"
"455","ZINC000000034157","ZINC34157","Nordefrin","C[C@H](N)[C@H](O)c1ccc(O)c(O)c1"
"456","ZINC000000035804","ZINC35804","Furosemide","NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl"
"457","ZINC000000037293","ZINC37293","Dioxybenzone","COc1ccc(C(=O)c2ccccc2O)c(O)c1"
"458","ZINC000000038545","ZINC38545","Musol","O=C(Oc1ccccc1)c1ccccc1O"
"459","ZINC000000039089","ZINC39089","Epinephrine","CNC[C@H](O)c1ccc(O)c(O)c1"
"460","ZINC000000039092","ZINC39092","Yso2","COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O"
"461","ZINC000000039112","ZINC39112","Oxidopamine","NCCc1cc(O)c(O)cc1O"
"462","ZINC000000039905","ZINC39905","Pla","O=C(O)c1ccccn1"
"463","ZINC000000039906","ZINC39906","Ddc","Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1"
"464","ZINC000000043478","ZINC43478","Carboxin","CC1=C(C(=O)Nc2ccccc2)SCCO1"
"465","ZINC000000044027","ZINC44027","Chlorpromazine","CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21"
"466","ZINC000000049142","ZINC49142","Sulfameter","COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1"
"467","ZINC000000049151","ZINC49151","Propyphenazone","Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C"
"468","ZINC000000049153","ZINC49153","Thiamine","Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1"
"469","ZINC000000049154","ZINC49154","Pyridoxine","Cc1ncc(CO)c(CO)c1O"
"470","ZINC000000049583","ZINC49583"," ","O=c1cccc2n1C[C@H]1CNC[C@@H]2C1"
"471","ZINC000000051581","ZINC51581","Procodazole","O=C(O)CCc1nc2ccccc2[nH]1"
"472","ZINC000000053961","ZINC53961","Sulfacarbamide","N/C(O)=N/S(=O)(=O)c1ccc(N)cc1"
"473","ZINC000000056398","ZINC56398","Deschlorobenzoyl Indomethacin","COc1ccc2[nH]c(C)c(CC(=O)O)c2c1"
"474","ZINC000000056399","ZINC56399","Oxilofrine","CN[C@@H](C)[C@H](O)c1ccc(O)cc1"
"475","ZINC000000056400","ZINC56400","Oxilofrine","CN[C@H](C)[C@H](O)c1ccc(O)cc1"
"476","ZINC000000056401","ZINC56401","Oxilofrine","CN[C@@H](C)[C@@H](O)c1ccc(O)cc1"
"477","ZINC000000056402","ZINC56402","Oxilofrine","CN[C@H](C)[C@@H](O)c1ccc(O)cc1"
"478","ZINC000000056427","ZINC56427","Eurax","C/C=C/C(=O)N(CC)c1ccccc1C"
"479","ZINC000000056435","ZINC56435","Dichlorophen","Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O"
"480","ZINC000000056544","ZINC56544","Des","CC/C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1"
"481","ZINC000000056546","ZINC56546","Hexestrol","CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1"
"482","ZINC000000056547","ZINC56547","Hexestrol","CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1"
"483","ZINC000000056549","ZINC56549","Hexestrol","CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1"
"484","ZINC000000056555","ZINC56555","Papaverine","COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC"
"485","ZINC000000056556","ZINC56556","Propranolol","CC(C)NC[C@H](O)COc1cccc2ccccc12"
"486","ZINC000000056568","ZINC56568","Benzenebutyrate","O=C(O)CCCc1ccccc1"
"487","ZINC000000056643","ZINC56643","Diphenylpyraline","CN1CCC(OC(c2ccccc2)c2ccccc2)CC1"
"488","ZINC000000056645","ZINC56645","Pindolol","CC(C)NC[C@H](O)COc1cccc2[nH]ccc12"
"489","ZINC000000056646","ZINC56646","Pindolol","CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12"
"490","ZINC000000056647","ZINC56647","Promethazine","C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)C"
"491","ZINC000000056648","ZINC56648","Cpib","CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1"
"492","ZINC000000056651","ZINC56651","Isotazin","CCN(CC)[C@H](C)CN1c2ccccc2Sc2ccccc21"
"493","ZINC000000056652","ZINC56652","Isoproterenol","CC(C)NC[C@H](O)c1ccc(O)c(O)c1"
"494","ZINC000000056653","ZINC56653","Isoproterenol","CC(C)NC[C@@H](O)c1ccc(O)c(O)c1"
"495","ZINC000000056654","ZINC56654","Khellin","COc1c2occc2c(OC)c2c(=O)cc(C)oc12"
"496","ZINC000000056721","ZINC56721","Etoxzolamide","CCOc1ccc2nc(S(N)(=O)=O)sc2c1"
"497","ZINC000000056949","ZINC56949","Benznidazole","O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1"
"498","ZINC000000057001","ZINC57001","Captopril","C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O"
"499","ZINC000000057008","ZINC57008","Levosulpiride","CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC"
"500","ZINC000000057058","ZINC57058","Serotonin","NCCc1c[nH]c2ccc(O)cc12"
"501","ZINC000000057060","ZINC57060","Melatonin","COc1ccc2[nH]cc(CCNC(C)=O)c2c1"
"502","ZINC000000057062","ZINC57062","Mexiletine","Cc1cccc(C)c1OC[C@H](C)N"
"503","ZINC000000057115","ZINC57115","Aminophenazone","Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C"
"504","ZINC000000057146","ZINC57146"," ","Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O"
"505","ZINC000000057147","ZINC57147"," ","Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O"
"506","ZINC000000057198","ZINC57198","Acepromazine","CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2"
"507","ZINC000000057204","ZINC57204","Antazoline","c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1"
"508","ZINC000000057206","ZINC57206","Bupropion","C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1"
"509","ZINC000000057235","ZINC57235","Clopamide","C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"
"510","ZINC000000057236","ZINC57236","Clopamide","C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"
"511","ZINC000000057251","ZINC57251","Cloperastine","Clc1ccc([C@@H](OCCN2CCCCC2)c2ccccc2)cc1"
"512","ZINC000000057252","ZINC57252","Cloperastine","Clc1ccc([C@H](OCCN2CCCCC2)c2ccccc2)cc1"
"513","ZINC000000057253","ZINC57253","Chlophedianol","CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl"
"514","ZINC000000057254","ZINC57254","Chlophedianol","CN(C)CC[C@](O)(c1ccccc1)c1ccccc1Cl"
"515","ZINC000000057255","ZINC57255","Thalitone","NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl"
"516","ZINC000000057260","ZINC57260","Clemizole","Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1"
"517","ZINC000000057261","ZINC57261","Clenbuterol","CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1"
"518","ZINC000000057262","ZINC57262","Clenbuterol","CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1"
"519","ZINC000000057278","ZINC57278","Dobutamine","C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1"
"520","ZINC000000057302","ZINC57302","Sulfono","Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C"
"521","ZINC000000057313","ZINC57313","Lodine","CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3"
"522","ZINC000000057319","ZINC57319","Fenoterol","C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1"
"523","ZINC000000057320","ZINC57320","Fenoterol","C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1"
"524","ZINC000000057321","ZINC57321","Fenoterol","C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1"
"525","ZINC000000057340","ZINC57340","Robaxin","COc1ccccc1OC[C@H](O)COC(N)=O"
"526","ZINC000000057341","ZINC57341","Robaxin","COc1ccccc1OC[C@@H](O)COC(N)=O"
"527","ZINC000000057344","ZINC57344","Lopac-H-0627","COc1cc2c(CCNC(C)=O)c[nH]c2cc1O"
"528","ZINC000000057347","ZINC57347","Proxyphylline","C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C"
"529","ZINC000000057348","ZINC57348","Proxyphylline","C[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C"
"530","ZINC000000057367","ZINC57367","Ramifenazone","Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C"
"531","ZINC000000057401","ZINC57401","Moxisylyte","CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C"
"532","ZINC000000057406","ZINC57406","Methoxamine","COc1ccc(OC)c([C@@H](O)[C@H](C)N)c1"
"533","ZINC000000057407","ZINC57407","Methoxamine","COc1ccc(OC)c([C@@H](O)[C@@H](C)N)c1"
"534","ZINC000000057408","ZINC57408","Methoxamine","COc1ccc(OC)c([C@H](O)[C@H](C)N)c1"
"535","ZINC000000057409","ZINC57409","Methoxamine","COc1ccc(OC)c([C@H](O)[C@@H](C)N)c1"
"536","ZINC000000057412","ZINC57412","Epirizole","COc1cc(C)nc(-n2nc(C)cc2OC)n1"
"537","ZINC000000057417","ZINC57417","Nifenazone","Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C"
"538","ZINC000000057421","ZINC57421","Nalidixic Acid","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21"
"539","ZINC000000057422","ZINC57422","Nylidrin","C[C@H](N[C@H](C)CCc1ccccc1)[C@@H](O)c1ccc(O)cc1"
"540","ZINC000000057435","ZINC57435","Oxymetazoline","Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1"
"541","ZINC000000057438","ZINC57438","Ornidazole","Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CCl"
"542","ZINC000000057439","ZINC57439","Oxyphencyclimine","CN1CCCN=C1COC(=O)[C@](O)(c1ccccc1)C1CCCCC1"
"543","ZINC000000057455","ZINC57455","Procyclidine","O[C@@](CCN1CCCC1)(c1ccccc1)C1CCCCC1"
"544","ZINC000000057461","ZINC57461","Piromidic Acid","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21"
"545","ZINC000000057464","ZINC57464"," ","CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1"
"546","ZINC000000057466","ZINC57466","Ppa","CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21"
"547","ZINC000000057480","ZINC57480","Ritodrine","C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1"
"548","ZINC000000057490","ZINC57490","Sulfafenazol","Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1"
"549","ZINC000000057493","ZINC57493","Sulfamethizole","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1"
"550","ZINC000000057494","ZINC57494","Sulfadimidine","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1"
"551","ZINC000000057501","ZINC57501","Sulfamerazine","Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1"
"552","ZINC000000057503","ZINC57503","Suprofen","C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1"
"553","ZINC000000057504","ZINC57504","Suprofen","C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1"
"554","ZINC000000057512","ZINC57512","Tolazamide","Cc1ccc(S(=O)(=O)/N=C(\O)NN2CCCCCC2)cc1"
"555","ZINC000000057513","ZINC57513","Thonzylamine","COc1ccc(CN(CCN(C)C)c2ncccn2)cc1"
"556","ZINC000000057519","ZINC57519","Tolperisone","Cc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1"
"557","ZINC000000057520","ZINC57520","Tolperisone","Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1"
"558","ZINC000000057521","ZINC57521","Tulobuterol","CC(C)(C)NC[C@H](O)c1ccccc1Cl"
"559","ZINC000000057522","ZINC57522","Ting","Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1"
"560","ZINC000000057532","ZINC57532","Mydriacyl","CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1"
"561","ZINC000000057533","ZINC57533","Mydriacyl","CCN(Cc1ccncc1)C(=O)[C@H](CO)c1ccccc1"
"562","ZINC000000057534","ZINC57534","Xylometazoline","Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1"
"563","ZINC000000057537","ZINC57537","Zomepirac","Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1"
"564","ZINC000000057624","ZINC57624","Adrenor","NC[C@H](O)c1ccc(O)c(O)c1"
"565","ZINC000000057674","ZINC57674","Flavone","O=c1cc(-c2ccccc2)oc2ccccc12"
"566","ZINC000000057731","ZINC57731","5-Mop","COc1c2ccoc2cc2oc(=O)ccc12"
"567","ZINC000000057734","ZINC57734","Chromocarb","O=C(O)c1cc(=O)c2ccccc2o1"
"568","ZINC000000058117","ZINC58117","Eriodictyol","O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21"
"569","ZINC000000061044","ZINC61044","Azophen","Cc1cc(=O)n(-c2ccccc2)n1C"
"570","ZINC000000066064","ZINC66064","1-Pyrimidinylpiperazine","c1cnc(N2CCNCC2)nc1"
"571","ZINC000000066104","ZINC66104","Ase","CC(=O)NCCc1c[nH]c2ccc(O)cc12"
"572","ZINC000000073711","ZINC73711","Tecto","c1ccc2[nH]c(-c3cscn3)nc2c1"
"573","ZINC000000074709","ZINC74709","Rattex","O=c1ccc2ccccc2o1"
"574","ZINC000000074836","ZINC74836","Ephedrine","CN[C@@H](C)[C@H](O)c1ccccc1"
"575","ZINC000000075008","ZINC75008","Pilocarpine","CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C"
"576","ZINC000000075126","ZINC75126","Zofran","Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O"
"577","ZINC000000080797","ZINC80797","3-Phenoxypropanoate","O=C(O)CCOc1ccccc1"
"578","ZINC000000083315","ZINC83315","Tryptophan","N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"
"579","ZINC000000083831","ZINC83831","4-Anilino-4-Oxobutanoic Acid","O=C(O)CCC(=O)Nc1ccccc1"
"580","ZINC000000083860","ZINC83860"," ","O=C(O)Cc1c[nH]c2ccccc12"
"581","ZINC000000085733","ZINC85733","Baclofen","NC[C@@H](CC(=O)O)c1ccc(Cl)cc1"
"582","ZINC000000085742","ZINC85742","Vanilalanine","COc1cc(C[C@H](N)C(=O)O)ccc1O"
"583","ZINC000000086599","ZINC86599","Alprenolol","C=CCc1ccccc1OC[C@@H](O)CNC(C)C"
"584","ZINC000000087000","ZINC87000","Velnacrine","Nc1c2c(nc3ccccc13)CCC[C@H]2O"
"585","ZINC000000088619","ZINC88619","Paser","Nc1cccc(C(=O)O)c1O"
"586","ZINC000000089688","ZINC89688","Acetylsulfamethoxazole","CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1"
"587","ZINC000000089763","ZINC89763","Gantanol","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1"
"588","ZINC000000097996","ZINC97996","Pyrantel","CN1CCCN=C1/C=C/c1cccs1"
"589","ZINC000000105196","ZINC105196","Phe","N[C@@H](Cc1ccccc1)C(=O)O"
"590","ZINC000000105216","ZINC105216","Naproxen","COc1ccc2cc([C@H](C)C(=O)O)ccc2c1"
"591","ZINC000000105246","ZINC105246","Dipicolinate","O=C(O)c1cccc(C(=O)O)n1"
"592","ZINC000000113355","ZINC113355","Phenylephrine","CNC[C@H](O)c1cccc(O)c1"
"593","ZINC000000113378","ZINC113378"," ","O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"
"594","ZINC000000113382","ZINC113382","Chloramphenicol","O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"
"595","ZINC000000113386","ZINC113386"," ","O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"
"596","ZINC000000113389","ZINC113389"," ","O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl"
"597","ZINC000000113398","ZINC113398","Ibuprofen","CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1"
"598","ZINC000000113404","ZINC113404","Teldrin","CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1"
"599","ZINC000000113410","ZINC113410","Teldrin","CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1"
"600","ZINC000000113415","ZINC113415","Altol","CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1"
"601","ZINC000000113418","ZINC113418","Furoxone","O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1"
"602","ZINC000000113426","ZINC113426","Tetrahydrozoline","c1ccc2c(c1)CCC[C@H]2C1=NCCN1"
"603","ZINC000000113428","ZINC113428","Tetrahydrozoline","c1ccc2c(c1)CCC[C@@H]2C1=NCCN1"
"604","ZINC000000113439","ZINC113439"," ","COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1"
"605","ZINC000000113442","ZINC113442","Metronidazole","Cc1ncc([N+](=O)[O-])n1CCO"
"606","ZINC000000113446","ZINC113446","Tindamax","CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C"
"607","ZINC000000114124","ZINC114124","Depen","CC(C)(S)[C@H](N)C(=O)O"
"608","ZINC000000114127","ZINC114127","Depen","CC(C)(S)[C@@H](N)C(=O)O"
"609","ZINC000000114386","ZINC114386","Hydrastinine","CN1CCc2cc3c(cc2[C@@H]1O)OCO3"
"610","ZINC000000119268","ZINC119268","4-Hydroxyantipyrine","Cc1c(O)c(=O)n(-c2ccccc2)n1C"
"611","ZINC000000119344","ZINC119344","Aminohippurate","Nc1ccc(C(=O)NCC(=O)O)cc1"
"612","ZINC000000119403","ZINC119403","Chlorquinaldol","Cc1ccc2c(Cl)cc(Cl)c(O)c2n1"
"613","ZINC000000119434","ZINC119434","Strychnine","O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46"
"614","ZINC000000119632","ZINC119632","Homidium","CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21"
"615","ZINC000000119638","ZINC119638","4'-Hpph","O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(O)cc2)N1"
"616","ZINC000000119642","ZINC119642","4'-Hpph","O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O)cc2)N1"
"617","ZINC000000119717","ZINC119717","Naphazoline","c1ccc2c(CC3=NCCN3)cccc2c1"
"618","ZINC000000119839","ZINC119839","Levamisole","c1ccc([C@H]2CN3CCSC3=N2)cc1"
"619","ZINC000000119895","ZINC119895","Tegafur","O=c1[nH]c(=O)n([C@H]2CCCO2)cc1F"
"620","ZINC000000119905","ZINC119905","Phenyl Aminosalicylate","Nc1ccc(C(=O)Oc2ccccc2)c(O)c1"
"621","ZINC000000119948","ZINC119948","3'-Hpph","O=C1NC(=O)[C@@](c2ccccc2)(c2cccc(O)c2)N1"
"622","ZINC000000119983","ZINC119983","(+/-)-Catechin","Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2"
"623","ZINC000000120074","ZINC120074","4-Aminobenzoyl-(beta)-Alanine","Nc1ccc(C(=O)NCCC(=O)O)cc1"
"624","ZINC000000120181","ZINC120181","Nefopam","CN1CCO[C@@H](c2ccccc2)c2ccccc2C1"
"625","ZINC000000120186","ZINC120186","Nefopam","CN1CCO[C@H](c2ccccc2)c2ccccc2C1"
"626","ZINC000000120234","ZINC120234","Paraxanthine","Cn1c(=O)[nH]c2ncn(C)c2c1=O"
"627","ZINC000000120249","ZINC120249","Pyridoxal","Cc1ncc(CO)c(C=O)c1O"
"628","ZINC000000120286","ZINC120286","Triamteril","Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1"
"629","ZINC000000120319","ZINC120319","Sda","Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1"
"630","ZINC000000121456","ZINC121456","N-Desmethylaminopyrine","CNc1c(C)n(C)n(-c2ccccc2)c1=O"
"631","ZINC000000121458","ZINC121458","Sulfathiazole","Nc1ccc(S(=O)(=O)Nc2nccs2)cc1"
"632","ZINC000000121480","ZINC121480","Triclocarban","O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1"
"633","ZINC000000121541","ZINC121541","Mebendazole","COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1"
"634","ZINC000000125006","ZINC125006","Tolazoline","c1ccc(CC2=NCCN2)cc1"
"635","ZINC000000125031","ZINC125031","Nfl","O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1"
"636","ZINC000000125047","ZINC125047","Cinchophen","O=C(O)c1cc(-c2ccccc2)nc2ccccc12"
"637","ZINC000000129343","ZINC129343","P-Chlorophenyl","OC[C@H](O)COc1ccc(Cl)cc1"
"638","ZINC000000132448","ZINC132448","4-(4-Chlorophenyl)-4-Hydroxypiperidine","OC1(c2ccc(Cl)cc2)CCNCC1"
"639","ZINC000000135384","ZINC135384","Acetylleucine","CC(=O)N[C@@H](CC(C)C)C(=O)O"
"640","ZINC000000135391","ZINC135391","Afalanine","CC(=O)N[C@@H](Cc1ccccc1)C(=O)O"
"641","ZINC000000135992","ZINC135992","Benzoclidine","O=C(O[C@H]1CN2CCC1CC2)c1ccccc1"
"642","ZINC000000136138","ZINC136138","Oxybenzone","COc1ccc(C(=O)c2ccccc2)c(O)c1"
"643","ZINC000000137884","ZINC137884","Stavudine","Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O"
"644","ZINC000000142824","ZINC142824","Acetanil","CC(=O)Nc1ccccc1"
"645","ZINC000000154564","ZINC154564","Benzylacetate","O=C(O)CCc1ccccc1"
"646","ZINC000000154729","ZINC154729","Carnitine","C[N+](C)(C)C[C@@H](O)CC(=O)O"
"647","ZINC000000154803","ZINC154803","4-Hydroxynorephedrine","C[C@@H](N)[C@@H](O)c1ccc(O)cc1"
"648","ZINC000000154957","ZINC154957","Mephenesin","Cc1ccccc1OC[C@@H](O)CO"
"649","ZINC000000154964","ZINC154964","Mepivacaine","Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C"
"650","ZINC000000155269","ZINC155269","Orphenadrine","Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1"
"651","ZINC000000155531","ZINC155531","Cyclopentolate","CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1"
"652","ZINC000000155694","ZINC155694","Cyclophosphamide","O=[P@]1(N(CCCl)CCCl)NCCCO1"
"653","ZINC000000155697","ZINC155697","A-Quinidine","C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12"
"654","ZINC000000155905","ZINC155905","Tiopronin","C[C@H](S)C(=O)NCC(=O)O"
"655","ZINC000000155911","ZINC155911","Methylephedrin","C[C@H]([C@H](O)c1ccccc1)N(C)C"
"656","ZINC000000156395","ZINC156395","Acetyl Tyrosine","CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"
"657","ZINC000000156530","ZINC156530","2-Pyridylacetic Acid","O=C(O)Cc1ccccn1"
"658","ZINC000000156792","ZINC156792","Acebutolol","CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1"
"659","ZINC000000156801","ZINC156801","Bucetin","CCOc1ccc(NC(=O)C[C@H](C)O)cc1"
"660","ZINC000000156820","ZINC156820","Flm","C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23"
"661","ZINC000000156822","ZINC156822","Pyrithione","[O-][n+]1ccccc1S"
"662","ZINC000000156823","ZINC156823","Indoprofen","C[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1"
"663","ZINC000000156836","ZINC156836","Methoxyphenamine","CN[C@H](C)Cc1ccccc1OC"
"664","ZINC000000157458","ZINC157458"," ","OCc1ccc(Cl)cc1Cl"
"665","ZINC000000158585","ZINC158585","Piconol","OCc1ccccn1"
"666","ZINC000000158593","ZINC158593","Isonicotinic Acid","O=C(O)c1ccncc1"
"667","ZINC000000160784","ZINC160784","Hordenine","CN(C)CCc1ccc(O)cc1"
"668","ZINC000000160790","ZINC160790","Mht","Cc1ncsc1CCO"
"669","ZINC000000164000","ZINC164000","Amifampridine","Nc1ccncc1N"
"670","ZINC000000164358","ZINC164358","N-Acetyl-5-Aminosalicylic Acid","CC(=O)Nc1ccc(O)c(C(=O)O)c1"
"671","ZINC000000206825","ZINC206825","Isonicotinylglycine","O=C(O)CNC(=O)c1ccncc1"
"672","ZINC000000213065","ZINC213065","4-Hydroxyphenylacetate","O=C(O)Cc1ccc(O)cc1"
"673","ZINC000000246606","ZINC246606","3-Amino-1-Hydroxy-5,7-Dimethyl-Adamantane","C[C@]12CC3(N)CC(O)(C1)C[C@@](C)(C3)C2"
"674","ZINC000000254441","ZINC254441","Acetylisoniazid","CC(=O)NNC(=O)c1ccncc1"
"675","ZINC000000266964","ZINC266964","Tyr","N[C@@H](Cc1ccc(O)cc1)C(=O)O"
"676","ZINC000000332026","ZINC332026","Phenylpropiolate","O=C(O)C#Cc1ccccc1"
"677","ZINC000000332752","ZINC332752","Paraben","O=C(O)c1ccc(O)cc1"
"678","ZINC000000347886","ZINC347886","Pirlindole","Cc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1"
"679","ZINC000000388075","ZINC388075","(4r)-2-Methylpentane-2,4-Diol","C[C@H](O)CC(C)(C)O"
"680","ZINC000000388081","ZINC388081","Histamine","NCCc1cnc[nH]1"
"681","ZINC000000388198","ZINC388198","Octopamine","NC[C@H](O)c1ccc(O)cc1"
"682","ZINC000000388462","ZINC388462","Phenylacetate","O=C(O)Cc1ccccc1"
"683","ZINC000000388664","ZINC388664"," ","CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C"
"684","ZINC000000389149","ZINC389149","Metipranolol","CC(=O)Oc1c(C)cc(OC[C@@H](O)CNC(C)C)c(C)c1C"
"685","ZINC000000389291","ZINC389291","2,4-Diamino-6,7-Dimethoxyquinazoline","COc1cc2nc(N)nc(N)c2cc1OC"
"686","ZINC000000389747","ZINC389747","Naloxone","C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"
"687","ZINC000000391122","ZINC391122","(e)-Isoeugenol","C/C=C/c1ccc(O)c(OC)c1"
"688","ZINC000000391789","ZINC391789","Heteroxanthin","Cn1cnc2[nH]c(=O)[nH]c(=O)c21"
"689","ZINC000000391812","ZINC391812","Nicotine","CN1CCC[C@H]1c1cccnc1"
"690","ZINC000000391820","ZINC391820","Nornicotin","c1cncc([C@@H]2CCCN2)c1"
"691","ZINC000000394284","ZINC394284","Tussin","COc1ccccc1OC[C@@H](O)CO"
"692","ZINC000000394355","ZINC394355","Pholedrine","CN[C@H](C)Cc1ccc(O)cc1"
"693","ZINC000000395010","ZINC395010"," ","COC(=O)c1ccc(C)cc1O"
"694","ZINC000000395560","ZINC395560","Actinine","C[N+](C)(C)CCCC(=O)O"
"695","ZINC000000402630","ZINC402630"," ","Cc1cn([C@@H]2C[C@@H](N)[C@H](CO)O2)c(=O)[nH]c1=O"
"696","ZINC000000402766","ZINC402766","Cotinine","CN1C(=O)CC[C@H]1c1cccnc1"
"697","ZINC000000402830","ZINC402830","Clemastine","CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1"
"698","ZINC000000402848","ZINC402848","Levomethorphan","COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3"
"699","ZINC000000402909","ZINC402909","Fenoprofen","C[C@@H](C(=O)O)c1cccc(Oc2ccccc2)c1"
"700","ZINC000000402946","ZINC402946"," ","C[C@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"
"701","ZINC000000402954","ZINC402954","Hydromorphone","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5"
"702","ZINC000000402956","ZINC402956","Heptaminol","C[C@H](N)CCCC(C)(C)O"
"703","ZINC000000402979","ZINC402979","Isoetharine","CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c(O)c1"
"704","ZINC000000402980","ZINC402980","Isoetharine","CC[C@@H](NC(C)C)[C@H](O)c1ccc(O)c(O)c1"
"705","ZINC000000402981","ZINC402981","Isoetharine","CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c(O)c1"
"706","ZINC000000403010","ZINC403010","Labetalol","C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1"
"707","ZINC000000403011","ZINC403011","Labetalol","C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1"
"708","ZINC000000403033","ZINC403033","Mdma","C[C@H](N)Cc1ccc2c(c1)OCO2"
"709","ZINC000000403054","ZINC403054","Cat","CN[C@@H](C)C(=O)c1ccccc1"
"710","ZINC000000403055","ZINC403055","Cat","CN[C@H](C)C(=O)c1ccccc1"
"711","ZINC000000403079","ZINC403079","Midodrine","COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1"
"712","ZINC000000403529","ZINC403529","Nalmefene","C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5"
"713","ZINC000000403533","ZINC403533","Oxycodone","COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314"
"714","ZINC000000403566","ZINC403566","Biltricide","O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1"
"715","ZINC000000403567","ZINC403567","Enprofylline","CCCn1c(=O)[nH]c(=O)c2[nH]cnc21"
"716","ZINC000000403588","ZINC403588","Oxedrine","CNC[C@H](O)c1ccc(O)cc1"
"717","ZINC000000403609","ZINC403609","Betimol","CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1"
"718","ZINC000000403618","ZINC403618","Sabril","C=C[C@H](N)CCC(=O)O"
"719","ZINC000000403682","ZINC403682","Pipradrol","OC(c1ccccc1)(c1ccccc1)[C@H]1CCCCN1"
"720","ZINC000000404160","ZINC404160","Ticalopride","COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@H]1OC"
"721","ZINC000000404287","ZINC404287","2-Amino-3-Methylbenzoate","Cc1cccc(C(=O)O)c1N"
"722","ZINC000000404304","ZINC404304"," ","CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C"
"723","ZINC000000404802","ZINC404802","A-Quinidine","C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12"
"724","ZINC000000405331","ZINC405331","Cyclandelate","C[C@H]1C[C@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)C1"
"725","ZINC000000409879","ZINC409879","2-(ethoxycarbonyl)benzoate","CCOC(=O)c1ccccc1C(=O)O"
"726","ZINC000000490791","ZINC490791","Testosterone","CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"727","ZINC000000491073","ZINC491073","Galantamine","COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2"
"728","ZINC000000492792","ZINC492792","Aceclidine","CC(=O)O[C@@H]1CN2CCC1CC2"
"729","ZINC000000507461","ZINC507461","4-Keto-Vpa","CCC[C@@H](CC(C)=O)C(=O)O"
"730","ZINC000000507462","ZINC507462","4-Keto-Vpa","CCC[C@H](CC(C)=O)C(=O)O"
"731","ZINC000000508068","ZINC508068","Pheniramine","CN(C)CC[C@H](c1ccccc1)c1ccccn1"
"732","ZINC000000509440","ZINC509440","Oxazepam","O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1O"
"733","ZINC000000518554","ZINC518554","Arbutin","OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"
"734","ZINC000000523925","ZINC523925","Gliclazide","Cc1ccc(S(=O)(=O)/N=C(\O)NN2C[C@H]3CCC[C@@H]3C2)cc1"
"735","ZINC000000523926","ZINC523926","Gliclazide","Cc1ccc(S(=O)(=O)/N=C(\O)NN2C[C@@H]3CCC[C@H]3C2)cc1"
"736","ZINC000000527386","ZINC527386","Paroxetine","Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1"
"737","ZINC000000531272","ZINC531272","Sibutramine","CC(C)C[C@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1"
"738","ZINC000000537752","ZINC537752","Flurazepam","CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21"
"739","ZINC000000537755","ZINC537755","Fluspirilene","O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2"
"740","ZINC000000537791","ZINC537791","Amaryl","CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)/N=C(\O)NC3CCC(C)CC3)cc2)C1=O"
"741","ZINC000000537795","ZINC537795","Glipizide","Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)/N=C(\O)NC3CCCCC3)cc2)cn1"
"742","ZINC000000537802","ZINC537802","Glisolamide","Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)no1"
"743","ZINC000000537804","ZINC537804","Glisoxepide","Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)/N=C(\O)NN3CCCCCC3)cc2)no1"
"744","ZINC000000537805","ZINC537805","Diabeta","COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1"
"745","ZINC000000537811","ZINC537811","Halazepam","O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F"
"746","ZINC000000537822","ZINC537822","Haloperidol","O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"747","ZINC000000537874","ZINC537874","Itopride","COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC"
"748","ZINC000000537877","ZINC537877","Ketanserin","O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1"
"749","ZINC000000537891","ZINC537891","Ofloxacin","C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"
"750","ZINC000000537928","ZINC537928","Loperamide","CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1"
"751","ZINC000000537931","ZINC537931","Loratadine","CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1"
"752","ZINC000000537935","ZINC537935","Lorcainide","CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1"
"753","ZINC000000537940","ZINC537940","Lorpiprazole","FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1"
"754","ZINC000000537957","ZINC537957","Mebrofenin","Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br"
"755","ZINC000000537964","ZINC537964","Mefloquine","O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1"
"756","ZINC000000538065","ZINC538065","Nefazodone","CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1"
"757","ZINC000000538069","ZINC538069","Nemonapride","CNc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1Cl"
"758","ZINC000000538152","ZINC538152","Pamoic Acid","O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O"
"759","ZINC000000538159","ZINC538159","Yaz","N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2"
"760","ZINC000000538163","ZINC538163","Phthalylsulfacetamide","CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1"
"761","ZINC000000538174","ZINC538174","Picotamide","COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1"
"762","ZINC000000538198","ZINC538198","Piritramide","N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1"
"763","ZINC000000538266","ZINC538266","Quazepam","Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21"
"764","ZINC000000538273","ZINC538273","Ofloxacin","C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"
"765","ZINC000000538275","ZINC538275","Raloxifene","O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12"
"766","ZINC000000538283","ZINC538283","Remifentanil","CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1"
"767","ZINC000000538285","ZINC538285","Repirinast","Cc1ccc2c([nH]c(=O)c3c(=O)cc(C(=O)OCCC(C)C)oc32)c1C"
"768","ZINC000000538312","ZINC538312","Risperdal","Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2"
"769","ZINC000000538328","ZINC538328","Rufloxacin","CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1"
"770","ZINC000000538337","ZINC538337","Sertindole","O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1"
"771","ZINC000000538362","ZINC538362","Sparfloxacin","C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1"
"772","ZINC000000538386","ZINC538386","Sufentanil","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1"
"773","ZINC000000538415","ZINC538415","Tamibarotene","CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21"
"774","ZINC000000538471","ZINC538471","Tiracizine","CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1CC2"
"775","ZINC000000538483","ZINC538483","Trazodone","O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12"
"776","ZINC000000538507","ZINC538507","Triflupromazine","CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21"
"777","ZINC000000538509","ZINC538509","Trimethobenzamide","COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC"
"778","ZINC000000538538","ZINC538538","Xipamide","Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O"
"779","ZINC000000538550","ZINC538550","Ziprasidone","O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1"
"780","ZINC000000538564","ZINC538564","Casodex","C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"
"781","ZINC000000538582","ZINC538582","Talinolol","CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1"
"782","ZINC000000538621","ZINC538621","Olmesartan","CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"783","ZINC000000538627","ZINC538627","Ambrisentan","COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O"
"784","ZINC000000538650","ZINC538650","Indiplon","CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1"
"785","ZINC000000538658","ZINC538658","Samsca","Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1"
"786","ZINC000000577115","ZINC577115","Xaliproden","FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1"
"787","ZINC000000579472","ZINC579472","Mk-663","Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1"
"788","ZINC000000580890","ZINC580890","Olopatadine N-Oxide","C[N+](C)([O-])CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21"
"789","ZINC000000584092","ZINC584092","Fnf","CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1"
"790","ZINC000000586239","ZINC586239","Levocabastin","C[C@@H]1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1"
"791","ZINC000000586584","ZINC586584","Levulinate","CC(=O)CCC(=O)O"
"792","ZINC000000587541","ZINC587541","Grepafloxacin","Cc1c(F)c(N2CCN[C@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1"
"793","ZINC000000587613","ZINC587613"," ","Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1"
"794","ZINC000000591993","ZINC591993","Sular","COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]"
"795","ZINC000000592419","ZINC592419","Daxas","O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1"
"796","ZINC000000596731","ZINC596731","Tikosyn","CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1"
"797","ZINC000000596881","ZINC596881","Econazole","Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"
"798","ZINC000000597013","ZINC597013","Donepezil","COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2"
"799","ZINC000000597260","ZINC597260","Nilvadipine","COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1"
"800","ZINC000000597434","ZINC597434","Blonanserin","CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1"
"801","ZINC000000597556","ZINC597556","Bambuterol","CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC(C)(C)C)c1"
"802","ZINC000000597588","ZINC597588","Ampiroxicam","CCOC(=O)O[C@@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21"
"803","ZINC000000598390","ZINC598390","Azilsartan","CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1"
"804","ZINC000000598829","ZINC598829","Rupatadine","Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1"
"805","ZINC000000598852","ZINC598852","Trimetrexate","COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC"
"806","ZINC000000599598","ZINC599598","Alpidem","CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12"
"807","ZINC000000599734","ZINC599734","Lansoprazole","Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1"
"808","ZINC000000599985","ZINC599985","Ampyra","Nc1ccncc1"
"809","ZINC000000600803","ZINC600803","Aranidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)[C@H]1c1ccccc1[N+](=O)[O-]"
"810","ZINC000000601229","ZINC601229","Azelastine","CN1CCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1"
"811","ZINC000000601249","ZINC601249","Bunazosin","CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1"
"812","ZINC000000601250","ZINC601250","Sulconazole","Clc1ccc(CS[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"
"813","ZINC000000601252","ZINC601252","Trimazosin","COc1cc2c(N)nc(N3CCN(C(=O)OCC(C)(C)O)CC3)nc2c(OC)c1OC"
"814","ZINC000000601253","ZINC601253","Dermatop","CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C"
"815","ZINC000000601254","ZINC601254","Zaroxolyn","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C"
"816","ZINC000000601255","ZINC601255","Amisulpride","CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC"
"817","ZINC000000601270","ZINC601270","Bromperidol","O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1"
"818","ZINC000000601272","ZINC601272","Acemetacin","COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1"
"819","ZINC000000601273","ZINC601273","Ethyl Loflazepate","CCOC(=O)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O"
"820","ZINC000000601274","ZINC601274","Astemizole","COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1"
"821","ZINC000000601275","ZINC601275","Talniflumate","O=C1O[C@H](OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21"
"822","ZINC000000601281","ZINC601281","Alfentanil","CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1"
"823","ZINC000000601283","ZINC601283","Indomethacin","COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1"
"824","ZINC000000601288","ZINC601288","Camazepam","CN(C)C(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O"
"825","ZINC000000601291","ZINC601291","Ketazolam","CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@]2(c2ccccc2)O1"
"826","ZINC000000601293","ZINC601293","Clopenthixol","OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1"
"827","ZINC000000601301","ZINC601301","Bhft","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O"
"828","ZINC000000601305","ZINC601305","Indapamide","C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"
"829","ZINC000000601314","ZINC601314","Pipenzolate","CC[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"
"830","ZINC000000601316","ZINC601316","Clidinium","C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2"
"831","ZINC000000601317","ZINC601317","Difenoxin","N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1"
"832","ZINC000000602128","ZINC602128","Bepotastine","O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1"
"833","ZINC000000602632","ZINC602632","Intelence","Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br"
"834","ZINC000000603195","ZINC603195","Nadifloxacin","C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"
"835","ZINC000000606383","ZINC606383","Sertaconazole","Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1"
"836","ZINC000000607726","ZINC607726","Bemetizide","C[C@H](c1ccccc1)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"837","ZINC000000607730","ZINC607730"," ","CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1OC(C)=O"
"838","ZINC000000607750","ZINC607750","Buthiazide","CC(C)C[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"839","ZINC000000607790","ZINC607790","Colcrys","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2"
"840","ZINC000000607849","ZINC607849","Encainide","COc1ccc(C(=O)Nc2ccccc2CC[C@H]2CCCCN2C)cc1"
"841","ZINC000000607861","ZINC607861","Famprofazon","CC(C)c1c(CN(C)[C@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O"
"842","ZINC000000607872","ZINC607872","Floctafenine","O=C(OC[C@H](O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12"
"843","ZINC000000607900","ZINC607900","Fominoben","CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1"
"844","ZINC000000607910","ZINC607910","Glafenine","O=C(OC[C@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12"
"845","ZINC000000607934","ZINC607934","Isoconazole","Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1"
"846","ZINC000000607939","ZINC607939","Isradipin","COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12"
"847","ZINC000000607971","ZINC607971","Miconazole","Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
"848","ZINC000000607986","ZINC607986"," ","O[C@@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1"
"849","ZINC000000608024","ZINC608024","Phenothrin","CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C"
"850","ZINC000000608085","ZINC608085","Inofal","CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21"
"851","ZINC000000608101","ZINC608101","Vagistat-1","Clc1ccc([C@@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1"
"852","ZINC000000608106","ZINC608106","Tofisopam","CC[C@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21"
"853","ZINC000000608117","ZINC608117","Trimebutine","CC[C@@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C"
"854","ZINC000000608172","ZINC608172","Amodiaquine","CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"
"855","ZINC000000608179","ZINC608179","Anileridine","CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1"
"856","ZINC000000608204","ZINC608204","Bentiromide","O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1"
"857","ZINC000000608205","ZINC608205","Desuric","CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1"
"858","ZINC000000608213","ZINC608213","Bithionol","Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O"
"859","ZINC000000608220","ZINC608220","Bromhexine","CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1"
"860","ZINC000000608266","ZINC608266","Clocapramine","NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1"
"861","ZINC000000608288","ZINC608288","Cyclofenil","CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1"
"862","ZINC000000608359","ZINC608359","Ethaverine","CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC"
"863","ZINC000000608382","ZINC608382","Flavoxate","Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O"
"864","ZINC000000621828","ZINC621828","Laudanosine","COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC"
"865","ZINC000000621833","ZINC621833","Laudanosine","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC"
"866","ZINC000000621853","ZINC621853","Colcrys","COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2"
"867","ZINC000000621893","ZINC621893","Diltiazem","COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1"
"868","ZINC000000622123","ZINC622123","Gris-Peg","COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O"
"869","ZINC000000624969","ZINC624969"," ","C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO"
"870","ZINC000000643046","ZINC643046","Persantine","OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1"
"871","ZINC000000643055","ZINC643055","Econazole","Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"
"872","ZINC000000643070","ZINC643070","Famprofazon","CC(C)c1c(CN(C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O"
"873","ZINC000000643114","ZINC643114","Indapamide","C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"
"874","ZINC000000643138","ZINC643138","Nizoral","CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"
"875","ZINC000000643143","ZINC643143","Nizoral","CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"
"876","ZINC000000643153","ZINC643153","Nizoral","CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"
"877","ZINC000000839083","ZINC839083","Hydroxylansoprazole","Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2cc(O)ccc2[nH]1"
"878","ZINC000000895030","ZINC895030","Succinate","O=C(O)CCC(=O)O"
"879","ZINC000000895032","ZINC895032","Aspartate","N[C@@H](CC(=O)O)C(=O)O"
"880","ZINC000000895034","ZINC895034","L-Ser","N[C@@H](CO)C(=O)O"
"881","ZINC000000895040","ZINC895040"," ","OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O"
"882","ZINC000000895042","ZINC895042","Cysteine","N[C@@H](CS)C(=O)O"
"883","ZINC000000895048","ZINC895048","Ifp","OCC(O)CO"
"884","ZINC000000895077","ZINC895077","Dl-Homocysteine","N[C@@H](CCS)C(=O)O"
"885","ZINC000000895081","ZINC895081","Citrate","O=C(O)CC(O)(CC(=O)O)C(=O)O"
"886","ZINC000000895099","ZINC895099","Valine","CC(C)[C@H](N)C(=O)O"
"887","ZINC000000895103","ZINC895103","Threonin","C[C@@H](O)[C@H](N)C(=O)O"
"888","ZINC000000895154","ZINC895154","Kuvan","C[C@@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1"
"889","ZINC000000895199","ZINC895199","Dopal","N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"
"890","ZINC000000895212","ZINC895212","Malonate","O=C(O)CC(=O)O"
"891","ZINC000000895271","ZINC895271","D-Treitol","OC[C@H](O)[C@@H](O)CO"
"892","ZINC000000895302","ZINC895302","Mbn","OCc1ccccc1"
"893","ZINC000000895316","ZINC895316","Glycol","C[C@H](O)CO"
"894","ZINC000000895318","ZINC895318","Glycol","C[C@@H](O)CO"
"895","ZINC000000895330","ZINC895330","5-Hydroxytryptophan","N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O"
"896","ZINC000000895342","ZINC895342","Dsn","N[C@H](CO)C(=O)O"
"897","ZINC000000895360","ZINC895360","Proline","O=C(O)[C@@H]1CCCN1"
"898","ZINC000000895390","ZINC895390","Isoflavone","O=c1c(-c2ccccc2)coc2ccccc12"
"899","ZINC000000895457","ZINC895457","Oxyproline","O=C(O)[C@H]1C[C@H](O)CN1"
"900","ZINC000000895494","ZINC895494","Tmao","C[N+](C)(C)[O-]"
"901","ZINC000000895536","ZINC895536","Acc","NC1(C(=O)O)CC1"
"902","ZINC000000895703","ZINC895703","Dl-Homocysteine","N[C@H](CCS)C(=O)O"
"903","ZINC000000895828","ZINC895828","5-Hial","O=CCc1c[nH]c2ccc(O)cc12"
"904","ZINC000000895969","ZINC895969","Optal","CCCO"
"905","ZINC000000896098","ZINC896098","Isoquinoline","c1ccc2cnccc2c1"
"906","ZINC000000896409","ZINC896409","Triethanolamine","OCCN(CCO)CCO"
"907","ZINC000000896449","ZINC896449","Benzquinamide","CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O"
"908","ZINC000000896455","ZINC896455","Brompheniramine","CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1"
"909","ZINC000000896463","ZINC896463","Carteolol","CC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2"
"910","ZINC000000896468","ZINC896468","Chlormezanone","CN1C(=O)CCS(=O)(=O)[C@@H]1c1ccc(Cl)cc1"
"911","ZINC000000896484","ZINC896484","Nexiclon","Clc1cccc(Cl)c1N=C1NCCN1"
"912","ZINC000000896507","ZINC896507","Dipivefrin","CNC[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1"
"913","ZINC000000896523","ZINC896523","Esmolol","COC(=O)CCc1ccc(OC[C@@H](O)CNC(C)C)cc1"
"914","ZINC000000896543","ZINC896543","Flecainide","O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F"
"915","ZINC000000896546","ZINC896546","5-Fc","Nc1nc(=O)[nH]cc1F"
"916","ZINC000000896557","ZINC896557","Granisetron","CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2"
"917","ZINC000000896560","ZINC896560","Granisetron","CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2"
"918","ZINC000000896569","ZINC896569","Hydrochlorothiazide","NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O"
"919","ZINC000000896595","ZINC896595","Ativan","O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1O"
"920","ZINC000000896621","ZINC896621","Mazindol","O[C@@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21"
"921","ZINC000000896628","ZINC896628","Phenyl","CC(=O)c1ccccc1"
"922","ZINC000000896634","ZINC896634","Restoril","CN1C(=O)[C@@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21"
"923","ZINC000000896648","ZINC896648","Mephentoin","CC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O"
"924","ZINC000000896650","ZINC896650","Tps23","CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21"
"925","ZINC000000896663","ZINC896663","Tranylcypromine","N[C@H]1C[C@@H]1c1ccccc1"
"926","ZINC000000896666","ZINC896666","Tranylcypromine","N[C@H]1C[C@H]1c1ccccc1"
"927","ZINC000000896681","ZINC896681","Trimeprazine","C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21"
"928","ZINC000000896683","ZINC896683","Methdilazine","CN1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1"
"929","ZINC000000896695","ZINC896695","Trometamol","NC(CO)(CO)CO"
"930","ZINC000000896698","ZINC896698","Effexor","COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1"
"931","ZINC000000896703","ZINC896703","Celontin","CN1C(=O)C[C@@](C)(c2ccccc2)C1=O"
"932","ZINC000000896709","ZINC896709","Methylphenidate","COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1"
"933","ZINC000000896711","ZINC896711","Focalin","COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1"
"934","ZINC000000896717","ZINC896717","Accolate","COc1cc(/C(O)=N/S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12"
"935","ZINC000000896731","ZINC896731","Zyflo","C[C@H](c1cc2ccccc2s1)N(O)C(N)=O"
"936","ZINC000000896740","ZINC896740","Miconazole","Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
"937","ZINC000000896755","ZINC896755","Zaroxolyn","Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C"
"938","ZINC000000896819","ZINC896819","Sotalol","CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1"
"939","ZINC000000896836","ZINC896836","Oxamniquine","CC(C)NC[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1"
"940","ZINC000000896838","ZINC896838","Quinethazon","CC[C@@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1"
"941","ZINC000000896849","ZINC896849","Propiomazine","CCC(=O)c1ccc2c(c1)N(C[C@@H](C)N(C)C)c1ccccc1S2"
"942","ZINC000000896868","ZINC896868","Phenmetrazine","C[C@@H]1NCCO[C@@H]1c1ccccc1"
"943","ZINC000000896870","ZINC896870","Phenmetrazine","C[C@@H]1NCCO[C@H]1c1ccccc1"
"944","ZINC000000896873","ZINC896873","Phenmetrazine","C[C@H]1NCCO[C@H]1c1ccccc1"
"945","ZINC000000896887","ZINC896887","Phensuximide","CN1C(=O)C[C@H](c2ccccc2)C1=O"
"946","ZINC000000896918","ZINC896918","Daranide","NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1"
"947","ZINC000000896937","ZINC896937","(r)-Mhd","NC(=O)N1c2ccccc2C[C@@H](O)c2ccccc21"
"948","ZINC000000896938","ZINC896938","(s)-Mhd","NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21"
"949","ZINC000000896945","ZINC896945","10,11-Dihydroxycarbamazepine","NC(=O)N1c2ccccc2[C@H](O)[C@@H](O)c2ccccc21"
"950","ZINC000000896958","ZINC896958","Cuvposa","C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1"
"951","ZINC000000896968","ZINC896968","Cuvposa","C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1"
"952","ZINC000000896988","ZINC896988","Metoxfluran","COC(F)(F)C(Cl)Cl"
"953","ZINC000000896998","ZINC896998","Etidocaine","CCCN(CC)[C@H](CC)C(=O)Nc1c(C)cccc1C"
"954","ZINC000000897002","ZINC897002","Ropivacaine","CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C"
"955","ZINC000000897085","ZINC897085","Mefloquine","O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1"
"956","ZINC000000897089","ZINC897089","Mefloquine","O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1"
"957","ZINC000000897095","ZINC897095","4-Hydroxycyclophosphamide","O=[P@@]1(N(CCCl)CCCl)N[C@@H](O)CCO1"
"958","ZINC000000897102","ZINC897102","4-Hydroxycyclophosphamide","O=[P@]1(N(CCCl)CCCl)N[C@@H](O)CCO1"
"959","ZINC000000897103","ZINC897103","4-Hydroxycyclophosphamide","O=[P@@]1(N(CCCl)CCCl)N[C@H](O)CCO1"
"960","ZINC000000897105","ZINC897105"," ","O=C1CCO[P@](=O)(N(CCCl)CCCl)N1"
"961","ZINC000000897107","ZINC897107","Phosphoramide Mustard","N[P@](=O)(O)N(CCCl)CCCl"
"962","ZINC000000897143","ZINC897143","Papite","C=CC=O"
"963","ZINC000000897222","ZINC897222","Bhft","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@H](Cc1ccccc1)NS2(=O)=O"
"964","ZINC000000897225","ZINC897225","Hidroflumetiazid","NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O"
"965","ZINC000000897229","ZINC897229","Methyclothiazid","CN1[C@@H](CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"
"966","ZINC000000897232","ZINC897232","Methyclothiazid","CN1[C@H](CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"
"967","ZINC000000897234","ZINC897234","Trichlormethiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C(Cl)Cl)NS2(=O)=O"
"968","ZINC000000897236","ZINC897236","Trichlormethiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C(Cl)Cl)NS2(=O)=O"
"969","ZINC000000897240","ZINC897240","Azelastine","CN1CCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1"
"970","ZINC000000897244","ZINC897244","Sulbactam","CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O"
"971","ZINC000000897251","ZINC897251","Donepezil","COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2"
"972","ZINC000000897256","ZINC897256","Formoterol","COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1"
"973","ZINC000000897258","ZINC897258","Formoterol","COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1"
"974","ZINC000000897261","ZINC897261","Pirbuterol","CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)n1"
"975","ZINC000000897263","ZINC897263","Hexocyclium","C[N+]1(C)CCN(C[C@](O)(c2ccccc2)C2CCCCC2)CC1"
"976","ZINC000000897283","ZINC897283","Ethclorvynol","C#C[C@](O)(/C=C/Cl)CC"
"977","ZINC000000897288","ZINC897288","Fomepizole","Cc1cn[nH]c1"
"978","ZINC000000897291","ZINC897291","Ethotoin","CCN1C(=O)N[C@@H](c2ccccc2)C1=O"
"979","ZINC000000897301","ZINC897301","Anzemet","O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12"
"980","ZINC000000897317","ZINC897317","Chlorphenesin","NC(=O)OC[C@H](O)COc1ccc(Cl)cc1"
"981","ZINC000000897322","ZINC897322","Skelaxin","Cc1cc(C)cc(OC[C@@H]2CNC(=O)O2)c1"
"982","ZINC000000897369","ZINC897369","Nfz","NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1"
"983","ZINC000000897385","ZINC897385","Vagistat-1","Clc1ccc([C@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1"
"984","ZINC000000897408","ZINC897408","Casodex","C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1"
"985","ZINC000000898188","ZINC898188"," ","CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O"
"986","ZINC000000898237","ZINC898237","Rutaecarpine","O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12"
"987","ZINC000000899004","ZINC899004"," ","OC[C@@H]1NC[C@H](O)[C@H](O)[C@H]1O"
"988","ZINC000000899824","ZINC899824","Turmeric","COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O"
"989","ZINC000000900543","ZINC900543","Indeloxazine","C1=Cc2cccc(OC[C@H]3CNCCO3)c2C1"
"990","ZINC000000900628","ZINC900628","Chlorpromazine-N-Oxide","C[N+](C)([O-])CCCN1c2ccccc2Sc2ccc(Cl)cc21"
"991","ZINC000000900630","ZINC900630","Idazoxan","c1ccc2c(c1)OC[C@@H](C1=NCCN1)O2"
"992","ZINC000000900692","ZINC900692","2,6-Dimethylaniline","Cc1cccc(C)c1N"
"993","ZINC000000901039","ZINC901039","Imd","c1c[nH]cn1"
"994","ZINC000000901061","ZINC901061"," ","O=C(O)[C@H](O)[C@@H](O)CO"
"995","ZINC000000901159","ZINC901159","Lavaco","CC(C)O"
"996","ZINC000000901335","ZINC901335","Tartronate","O=C(O)C(O)C(=O)O"
"997","ZINC000000901351","ZINC901351","Unknown","CC[C@H](N)C(=O)O"
"998","ZINC000000901552","ZINC901552","Bal","OC[C@H](S)CS"
"999","ZINC000000901555","ZINC901555","Bal","OC[C@@H](S)CS"
"1000","ZINC000000901616","ZINC901616","2,3-Butandiol","C[C@@H](O)[C@@H](C)O"
"1001","ZINC000000901736","ZINC901736","Oxyproline","O=C(O)[C@@H]1C[C@H](O)CN1"
"1002","ZINC000000901791","ZINC901791","Oxyproline","O=C(O)[C@@H]1C[C@@H](O)CN1"
"1003","ZINC000000901808","ZINC901808","Gamma-Amino-Beta-Hydroxybutyric Acid","NC[C@@H](O)CC(=O)O"
"1004","ZINC000000901811","ZINC901811","Gamma-Amino-Beta-Hydroxybutyric Acid","NC[C@H](O)CC(=O)O"
"1005","ZINC000000902108","ZINC902108","D.l-Methylisocitrate","C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O"
"1006","ZINC000000902159","ZINC902159","Mimosin","N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O"
"1007","ZINC000000902197","ZINC902197","Afimoxifene","CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"
"1008","ZINC000000967189","ZINC967189","Creatinine","CN1CC(=O)N=C1N"
"1009","ZINC000000967473","ZINC967473","Timonacic","O=C(O)[C@@H]1CSCN1"
"1010","ZINC000000967474","ZINC967474","Timonacic","O=C(O)[C@H]1CSCN1"
"1011","ZINC000000967513","ZINC967513","Limonene","C=C(C)[C@H]1CC=C(C)CC1"
"1012","ZINC000000967520","ZINC967520","Camphor","CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2"
"1013","ZINC000000967521","ZINC967521"," ","CC1(C)[C@H]2CC[C@]1(C)C(=O)C2"
"1014","ZINC000000967566","ZINC967566","Antiseptic","CC12CCC(CC1)C(C)(C)O2"
"1015","ZINC000000967597","ZINC967597","Thymol","Cc1ccc(C(C)C)c(O)c1"
"1016","ZINC000000967787","ZINC967787","Grepafloxacin","Cc1c(F)c(N2CCN[C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1"
"1017","ZINC000000967917","ZINC967917","Practolol","CC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)cc1"
"1018","ZINC000000967921","ZINC967921","Pronetalol","CC(C)NC[C@H](O)c1ccc2ccccc2c1"
"1019","ZINC000000967928","ZINC967928","2-Naftol","Oc1ccc2ccccc2c1"
"1020","ZINC000000967932","ZINC967932","Tridihexethyl","CC[N+](CC)(CC)CC[C@@](O)(c1ccccc1)C1CCCCC1"
"1021","ZINC000000967933","ZINC967933","Tridihexethyl","CC[N+](CC)(CC)CC[C@](O)(c1ccccc1)C1CCCCC1"
"1022","ZINC000000968226","ZINC968226","D-Limonene","C=C(C)[C@@H]1CC=C(C)CC1"
"1023","ZINC000000968233","ZINC968233","Benzophenone","O=C(c1ccccc1)c1ccccc1"
"1024","ZINC000000968255","ZINC968255","Acebutolol","CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1"
"1025","ZINC000000968256","ZINC968256","Amantadine","NC12CC3CC(CC(C3)C1)C2"
"1026","ZINC000000968257","ZINC968257","Amitriptyline","CN(C)CCC=C1c2ccccc2CCc2ccccc21"
"1027","ZINC000000968262","ZINC968262"," ","C[C@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1"
"1028","ZINC000000968263","ZINC968263","Cyclobenzaprine","CN(C)CCC=C1c2ccccc2C=Cc2ccccc21"
"1029","ZINC000000968264","ZINC968264","Cyproheptadine","CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1"
"1030","ZINC000000968266","ZINC968266","Diphenidol","OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1"
"1031","ZINC000000968273","ZINC968273","Trihexyphenidyl","O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1"
"1032","ZINC000000968274","ZINC968274","Trihexyphenidyl","O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1"
"1033","ZINC000000968275","ZINC968275","Trimipramine","C[C@H](CN(C)C)CN1c2ccccc2CCc2ccccc21"
"1034","ZINC000000968276","ZINC968276","Troglitazone","Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2"
"1035","ZINC000000968277","ZINC968277","Troglitazone","Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)NC3=O)cc1)O2"
"1036","ZINC000000968278","ZINC968278","Troglitazone","Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2"
"1037","ZINC000000968279","ZINC968279","Troglitazone","Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2"
"1038","ZINC000000968301","ZINC968301","Cuvposa","C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1"
"1039","ZINC000000968303","ZINC968303","Propofol","CC(C)c1cccc(C(C)C)c1O"
"1040","ZINC000000968305","ZINC968305","Benzphetamine","C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1"
"1041","ZINC000000968306","ZINC968306","Benzphetamine","C[C@H](Cc1ccccc1)N(C)Cc1ccccc1"
"1042","ZINC000000968310","ZINC968310","Esmirtazapine","CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1"
"1043","ZINC000000968326","ZINC968326","Pioglitazone","CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1"
"1044","ZINC000000968327","ZINC968327","Pioglitazone","CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1"
"1045","ZINC000000968328","ZINC968328","Rosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1"
"1046","ZINC000000968330","ZINC968330","Rosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1"
"1047","ZINC000000968335","ZINC968335"," ","Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1"
"1048","ZINC000000968336","ZINC968336","Tolterodine","Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1"
"1049","ZINC000000968337","ZINC968337","Azatadine","CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1"
"1050","ZINC000000968338","ZINC968338","Phenindamine","CN1CCC2=C(C1)[C@@H](c1ccccc1)c1ccccc12"
"1051","ZINC000000968340","ZINC968340","Phenindamine","CN1CCC2=C(C1)[C@H](c1ccccc1)c1ccccc12"
"1052","ZINC000000968345","ZINC968345","Butabarbital","CC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O"
"1053","ZINC000000968349","ZINC968349","Thiamylal","C=CC[C@@]1([C@H](C)CCC)C(=O)N=C(S)NC1=O"
"1054","ZINC000000968350","ZINC968350","Thiamylal","C=CC[C@@]1([C@@H](C)CCC)C(=O)N=C(S)NC1=O"
"1055","ZINC000000968353","ZINC968353","Thiopental","CCC[C@@H](C)[C@]1(CC)C(=O)N=C(S)NC1=O"
"1056","ZINC000000968354","ZINC968354","Thiopental","CCC[C@H](C)[C@]1(CC)C(=O)N=C(S)NC1=O"
"1057","ZINC000000968375","ZINC968375"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC"
"1058","ZINC000000970363","ZINC970363","Ara-A","Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"
"1059","ZINC000001035331","ZINC1035331","Ribasphere","NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1"
"1060","ZINC000001063081","ZINC1063081","1-Methyl-4-Nitroimidazole","Cn1cnc([N+](=O)[O-])c1"
"1061","ZINC000001078624","ZINC1078624","5-Fluorouridine","O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F"
"1062","ZINC000001081066","ZINC1081066","2-Carboxypyrazine","O=C(O)c1cnccn1"
"1063","ZINC000001081286","ZINC1081286","2-Methylquinoline","Cc1ccc2ccccc2n1"
"1064","ZINC000001087483","ZINC1087483","Alphaprodine","CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@@H]1C"
"1065","ZINC000001088216","ZINC1088216","Bronopol","O=[N+]([O-])C(Br)(CO)CO"
"1066","ZINC000001089661","ZINC1089661","Aceclidine","CC(=O)O[C@H]1CN2CCC1CC2"
"1067","ZINC000001187543","ZINC1187543","Metazolo","Cn1cc[nH]c1=S"
"1068","ZINC000001238583","ZINC1238583","Meparfynol","C#C[C@@](C)(O)CC"
"1069","ZINC000001238584","ZINC1238584","Meparfynol","C#C[C@](C)(O)CC"
"1070","ZINC000001249069","ZINC1249069","Nordazepam","OC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1"
"1071","ZINC000001255325","ZINC1255325","Delorazepam","O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1"
"1072","ZINC000001280092","ZINC1280092","Dextrorphan","CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13"
"1073","ZINC000001280665","ZINC1280665","Hydrocodone","COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314"
"1074","ZINC000001319177","ZINC1319177","Doxifluridine","C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O"
"1075","ZINC000001319234","ZINC1319234","Quinidine Barbiturate","C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12"
"1076","ZINC000001319780","ZINC1319780","Butrans","CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"
"1077","ZINC000001319967","ZINC1319967","Isoxsuprine","C[C@@H](COc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1"
"1078","ZINC000001408068","ZINC1408068","Oro","O=C(O)c1cc(O)nc(O)n1"
"1079","ZINC000001420561","ZINC1420561","Aprindine","CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1"
"1080","ZINC000001433338","ZINC1433338","N-Desalkyl-2-Oxoquazepam","O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1"
"1081","ZINC000001444556","ZINC1444556","Triclabendazole","CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1"
"1082","ZINC000001481714","ZINC1481714","Aceprometazine","CC(=O)c1ccc2c(c1)N(C[C@H](C)N(C)C)c1ccccc1S2"
"1083","ZINC000001481747","ZINC1481747","Butriptyline","C[C@@H](CC1c2ccccc2CCc2ccccc21)CN(C)C"
"1084","ZINC000001481789","ZINC1481789","Dimethindene","C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1"
"1085","ZINC000001481797","ZINC1481797","Terodiline","C[C@H](CC(c1ccccc1)c1ccccc1)NC(C)(C)C"
"1086","ZINC000001481798","ZINC1481798","Terodiline","C[C@@H](CC(c1ccccc1)c1ccccc1)NC(C)(C)C"
"1087","ZINC000001481815","ZINC1481815","Exjade","O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1"
"1088","ZINC000001481831","ZINC1481831","Sitaxentan","Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2"
"1089","ZINC000001481833","ZINC1481833","Varenicline","c1cnc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1"
"1090","ZINC000001481836","ZINC1481836","Emepronium","CC[N+](C)(C)[C@@H](C)CC(c1ccccc1)c1ccccc1"
"1091","ZINC000001481841","ZINC1481841"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@]21CC"
"1092","ZINC000001481844","ZINC1481844","Fendiline","C[C@@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1"
"1093","ZINC000001481864","ZINC1481864"," ","C=C(C)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1CC(=O)O"
"1094","ZINC000001481877","ZINC1481877","Methixene","CN1CCC[C@H](CC2c3ccccc3Sc3ccccc32)C1"
"1095","ZINC000001481908","ZINC1481908","Prolintane","CCC[C@H](Cc1ccccc1)N1CCCC1"
"1096","ZINC000001481910","ZINC1481910","Propylhexedrine","CN[C@@H](C)CC1CCCCC1"
"1097","ZINC000001481940","ZINC1481940","Tripamide","NS(=O)(=O)c1cc(C(=O)NN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2)ccc1Cl"
"1098","ZINC000001481952","ZINC1481952","E-10-Hydroxyamitriptyline","CN(C)CC/C=C1\c2ccccc2C[C@H](O)c2ccccc21"
"1099","ZINC000001481956","ZINC1481956","Paliperidone","Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O"
"1100","ZINC000001481960","ZINC1481960","Acipimox","Cc1cnc(C(=O)O)c[n+]1[O-]"
"1101","ZINC000001481966","ZINC1481966","Alverine","CCN(CCCc1ccccc1)CCCc1ccccc1"
"1102","ZINC000001481969","ZINC1481969","Amitriptylinoxide","C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21"
"1103","ZINC000001481970","ZINC1481970","C2h5c(ch3)2oh","CCC(C)(C)O"
"1104","ZINC000001481983","ZINC1481983","Benzoctamine","CNCC12CCC(c3ccccc31)c1ccccc12"
"1105","ZINC000001481993","ZINC1481993","Bht","Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
"1106","ZINC000001482005","ZINC1482005","Chlorobutanol","CC(C)(O)C(Cl)(Cl)Cl"
"1107","ZINC000001482035","ZINC1482035","Dimetacrine","CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc21"
"1108","ZINC000001482036","ZINC1482036","Dimetamfetamine","C[C@@H](Cc1ccccc1)N(C)C"
"1109","ZINC000001482039","ZINC1482039","Diphemanil","C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1"
"1110","ZINC000001482049","ZINC1482049","Droxidopa","N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1"
"1111","ZINC000001482077","ZINC1482077","Gliquidone","COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)/N=C(\O)NC3CCCCC3)cc1)C(=O)C2(C)C"
"1112","ZINC000001482094","ZINC1482094","Propylhexedrine","CN[C@H](C)CC1CCCCC1"
"1113","ZINC000001482101","ZINC1482101","Melitracen","CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21"
"1114","ZINC000001482113","ZINC1482113"," ","N[C@@H](CCC(=O)O)C(=O)O"
"1115","ZINC000001482128","ZINC1482128","Noxytiolin","CNC(=S)NCO"
"1116","ZINC000001482137","ZINC1482137","Pempidine","CN1C(C)(C)CCCC1(C)C"
"1117","ZINC000001482149","ZINC1482149","Pridinol","OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1"
"1118","ZINC000001482154","ZINC1482154","Propiolactone","O=C1CCO1"
"1119","ZINC000001482162","ZINC1482162","Dimethindene","C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1"
"1120","ZINC000001482164","ZINC1482164","Ice","CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O"
"1121","ZINC000001482169","ZINC1482169","Setiptiline","CN1CCC2=C(C1)c1ccccc1Cc1ccccc12"
"1122","ZINC000001482184","ZINC1482184","Temodal","Cn1nnc2c(C(N)=O)ncn2c1=O"
"1123","ZINC000001482197","ZINC1482197","Tranylcypromine","N[C@@H]1C[C@H]1c1ccccc1"
"1124","ZINC000001482913","ZINC1482913","Mitiglinide","O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1"
"1125","ZINC000001483896","ZINC1483896"," ","CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C"
"1126","ZINC000001484334","ZINC1484334"," ","C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C"
"1127","ZINC000001485935","ZINC1485935","Isavuconazole","C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F"
"1128","ZINC000001487602","ZINC1487602","Renagel","ClC[C@@H]1CO1"
"1129","ZINC000001489478","ZINC1489478","Sitagliptin","N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F"
"1130","ZINC000001490477","ZINC1490477","Tolvaptan","Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cc(Cl)ccc32)c(C)c1"
"1131","ZINC000001492231","ZINC1492231"," ","OC[C@@H]1NC[C@@H](O)[C@H]1O"
"1132","ZINC000001492232","ZINC1492232","Imr","OC[C@H]1NC[C@H](O)[C@@H]1O"
"1133","ZINC000001492250","ZINC1492250","Imr","OC[C@H]1NC[C@@H](O)[C@@H]1O"
"1134","ZINC000001492251","ZINC1492251","2-Hydroxymethyl-Pyrrolidine-3,4-Diol","OC[C@@H]1NC[C@H](O)[C@H]1O"
"1135","ZINC000001493878","ZINC1493878","Sorafenib","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1"
"1136","ZINC000001509965","ZINC1509965","Dimethylamphetamine","C[C@H](Cc1ccccc1)N(C)C"
"1137","ZINC000001529214","ZINC1529214","Xylose","O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O"
"1138","ZINC000001529215","ZINC1529215","Xylose","O[C@H]1[C@H](O)CO[C@@H](O)[C@@H]1O"
"1139","ZINC000001529266","ZINC1529266","Tetraethylthiuram","CCN(CC)C(=S)SSC(=S)N(CC)CC"
"1140","ZINC000001529323","ZINC1529323","Methotrexate","CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"1141","ZINC000001529425","ZINC1529425","Hepin","NCCCCCC(=O)O"
"1142","ZINC000001529444","ZINC1529444"," ","Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2"
"1143","ZINC000001529498","ZINC1529498","Dodecanoate","CCCCCCCCCCCC(=O)O"
"1144","ZINC000001529592","ZINC1529592","Urogran","S=C=NCc1ccccc1"
"1145","ZINC000001529628","ZINC1529628","Mablin","N=C(N)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O"
"1146","ZINC000001529732","ZINC1529732","Mucocis","N[C@@H](CSCC(=O)O)C(=O)O"
"1147","ZINC000001529776","ZINC1529776","Tilarginine","CNC(=N)NCCC[C@H](N)C(=O)O"
"1148","ZINC000001530244","ZINC1530244","Bzo","O=COCc1ccccc1"
"1149","ZINC000001530283","ZINC1530283","Carbaglu","NC(=O)N[C@@H](CCC(=O)O)C(=O)O"
"1150","ZINC000001530303","ZINC1530303","Ilopan","CC(C)(CO)[C@@H](O)C(=O)NCCCO"
"1151","ZINC000001530348","ZINC1530348","Adipate","O=C(O)CCCCC(=O)O"
"1152","ZINC000001530416","ZINC1530416","Caprylate","CCCCCCCC(=O)O"
"1153","ZINC000001530427","ZINC1530427","Fosfomycin","C[C@@H]1O[C@@H]1P(=O)(O)O"
"1154","ZINC000001530555","ZINC1530555","Acyclovir","Nc1nc2c(ncn2COCCO)c(=O)[nH]1"
"1155","ZINC000001530567","ZINC1530567","Betaxolol","CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1"
"1156","ZINC000001530568","ZINC1530568","Betaxolol","CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1"
"1157","ZINC000001530569","ZINC1530569","Bisoprolol","CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1"
"1158","ZINC000001530570","ZINC1530570","Bisoprolol","CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1"
"1159","ZINC000001530571","ZINC1530571","Buspirone","O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"
"1160","ZINC000001530572","ZINC1530572","Myleran","CS(=O)(=O)OCCCCOS(C)(=O)=O"
"1161","ZINC000001530575","ZINC1530575","Capsaicin","COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O"
"1162","ZINC000001530579","ZINC1530579","Coreg","COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12"
"1163","ZINC000001530580","ZINC1530580","Coreg","COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"
"1164","ZINC000001530583","ZINC1530583"," ","CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@@H]2SC1"
"1165","ZINC000001530584","ZINC1530584"," ","CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@@H]2SC1"
"1166","ZINC000001530598","ZINC1530598","Chlorestrolo","COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1"
"1167","ZINC000001530599","ZINC1530599","Chlorporpamide","CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1"
"1168","ZINC000001530600","ZINC1530600","Cidofovir","Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1"
"1169","ZINC000001530601","ZINC1530601","Clomifene","CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1"
"1170","ZINC000001530604","ZINC1530604"," ","O=C(O)c1cc(=O)c2cc(OC[C@@H](O)COc3cccc4oc(C(=O)O)cc(=O)c34)ccc2o1"
"1171","ZINC000001530605","ZINC1530605"," ","O=C(O)c1cc(=O)c2cc(OC[C@H](O)COc3cccc4oc(C(=O)O)cc(=O)c34)ccc2o1"
"1172","ZINC000001530611","ZINC1530611","Desipramine","CNCCCN1c2ccccc2CCc2ccccc21"
"1173","ZINC000001530613","ZINC1530613","Dicyclomine","CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1"
"1174","ZINC000001530617","ZINC1530617","Disopyramide","CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C"
"1175","ZINC000001530618","ZINC1530618","Disopyramide","CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C"
"1176","ZINC000001530621","ZINC1530621","Dorzolamide","CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21"
"1177","ZINC000001530625","ZINC1530625","Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21"
"1178","ZINC000001530635","ZINC1530635","Fcv","CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O"
"1179","ZINC000001530636","ZINC1530636","Famotidine","N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1"
"1180","ZINC000001530637","ZINC1530637","Fluoxetine","CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1"
"1181","ZINC000001530638","ZINC1530638","Fluoxetine","CNCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1"
"1182","ZINC000001530639","ZINC1530639","Fluvastatin","CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21"
"1183","ZINC000001530641","ZINC1530641","Lopid","Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1"
"1184","ZINC000001530647","ZINC1530647","Guanadrel","N=C(N)NC[C@H]1COC2(CCCCC2)O1"
"1185","ZINC000001530648","ZINC1530648","Guanethidine","N=C(N)NCCN1CCCCCCC1"
"1186","ZINC000001530649","ZINC1530649","Haloprogin","Clc1cc(Cl)c(OCC#CI)cc1Cl"
"1187","ZINC000001530652","ZINC1530652","Hydroxychloroquine","CCN(CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12"
"1188","ZINC000001530654","ZINC1530654","Hydroxychloroquine","CCN(CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12"
"1189","ZINC000001530659","ZINC1530659","Ifosfamide","O=[P@@]1(NCCCl)OCCCN1CCCl"
"1190","ZINC000001530660","ZINC1530660","Ifosfamide","O=[P@]1(NCCCl)OCCCN1CCCl"
"1191","ZINC000001530666","ZINC1530666"," ","CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2"
"1192","ZINC000001530667","ZINC1530667"," ","CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2"
"1193","ZINC000001530668","ZINC1530668","Isopropamide","CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C"
"1194","ZINC000001530688","ZINC1530688","Maprotiline","CNCCCC12CCC(c3ccccc31)c1ccccc12"
"1195","ZINC000001530689","ZINC1530689","Tamoxifen","CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"
"1196","ZINC000001530694","ZINC1530694","Tamsulosin","CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1"
"1197","ZINC000001530695","ZINC1530695","Thioridazine","CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2"
"1198","ZINC000001530697","ZINC1530697","Thioridazine","CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2"
"1199","ZINC000001530701","ZINC1530701","Meprobamate","CCCC(C)(COC(N)=O)COC(N)=O"
"1200","ZINC000001530703","ZINC1530703","Tolbutamide","CCCCN/C(O)=N/S(=O)(=O)c1ccc(C)cc1"
"1201","ZINC000001530705","ZINC1530705","E1518","CC(=O)OCC(COC(C)=O)OC(C)=O"
"1202","ZINC000001530706","ZINC1530706","Diskets","CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1203","ZINC000001530707","ZINC1530707","Diskets","CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1204","ZINC000001530710","ZINC1530710","Tridione","CN1C(=O)OC(C)(C)C1=O"
"1205","ZINC000001530713","ZINC1530713","Valacyclovir","CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21"
"1206","ZINC000001530716","ZINC1530716","Metoclopramide","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC"
"1207","ZINC000001530717","ZINC1530717","Metoprolol","COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1"
"1208","ZINC000001530718","ZINC1530718","Metoprolol","COCCc1ccc(OC[C@H](O)CNC(C)C)cc1"
"1209","ZINC000001530725","ZINC1530725","Lysodren","Clc1ccc([C@H](c2ccccc2Cl)C(Cl)Cl)cc1"
"1210","ZINC000001530726","ZINC1530726","Lysodren","Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1"
"1211","ZINC000001530728","ZINC1530728","Rnd","CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1"
"1212","ZINC000001530736","ZINC1530736","Axid","CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1"
"1213","ZINC000001530737","ZINC1530737"," ","CN/C(=C/[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1"
"1214","ZINC000001530741","ZINC1530741","Nortriptyline","CNCCC=C1c2ccccc2CCc2ccccc21"
"1215","ZINC000001530751","ZINC1530751","Oxybutynin","CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1"
"1216","ZINC000001530752","ZINC1530752","Oxybutynin","CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1"
"1217","ZINC000001530753","ZINC1530753","Pipobroman","O=C(CCBr)N1CCN(C(=O)CCBr)CC1"
"1218","ZINC000001530755","ZINC1530755","Probucol","CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
"1219","ZINC000001530756","ZINC1530756","Procainamide","CCN(CC)CCNC(=O)c1ccc(N)cc1"
"1220","ZINC000001530757","ZINC1530757","Procaine","CCN(CC)CCOC(=O)c1ccc(N)cc1"
"1221","ZINC000001530759","ZINC1530759","Rythmol","CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1"
"1222","ZINC000001530760","ZINC1530760","Rythmol","CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1"
"1223","ZINC000001530761","ZINC1530761","Propantheline","CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C"
"1224","ZINC000001530762","ZINC1530762","Proparacaine","CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N"
"1225","ZINC000001530764","ZINC1530764","Protriptyline","CNCCCC1c2ccccc2C=Cc2ccccc21"
"1226","ZINC000001530768","ZINC1530768","D-Propoxyphene","CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C"
"1227","ZINC000001530769","ZINC1530769","Propoxyphene","CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C"
"1228","ZINC000001530771","ZINC1530771","Paramethadione","CC[C@]1(C)OC(=O)N(C)C1=O"
"1229","ZINC000001530772","ZINC1530772","Paramethadione","CC[C@@]1(C)OC(=O)N(C)C1=O"
"1230","ZINC000001530775","ZINC1530775","Pentamidine","N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1"
"1231","ZINC000001530776","ZINC1530776","Eht0201","CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O"
"1232","ZINC000001530788","ZINC1530788","Cromolyn","O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1"
"1233","ZINC000001530796","ZINC1530796","Glutetimid","CC[C@@]1(c2ccccc2)CCC(=O)NC1=O"
"1234","ZINC000001530797","ZINC1530797","Glutetimid","CC[C@]1(c2ccccc2)CCC(=O)NC1=O"
"1235","ZINC000001530803","ZINC1530803","Felbatol","NC(=O)OCC(COC(N)=O)c1ccccc1"
"1236","ZINC000001530805","ZINC1530805","Zarontin","CC[C@@]1(C)CC(=O)NC1=O"
"1237","ZINC000001530806","ZINC1530806","Zarontin","CC[C@]1(C)CC(=O)NC1=O"
"1238","ZINC000001530808","ZINC1530808","Hexamethonium","C[N+](C)(C)CCCCCC[N+](C)(C)C"
"1239","ZINC000001530810","ZINC1530810","Ultane","FCOC(C(F)(F)F)C(F)(F)F"
"1240","ZINC000001530811","ZINC1530811","Tetracaine","CCCCNc1ccc(C(=O)OCCN(C)C)cc1"
"1241","ZINC000001530812","ZINC1530812","Bupivacaine","CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C"
"1242","ZINC000001530814","ZINC1530814","Bupivacaine","CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C"
"1243","ZINC000001530816","ZINC1530816","Prilocaine","CCCN[C@@H](C)C(=O)Nc1ccccc1C"
"1244","ZINC000001530817","ZINC1530817","Prilocaine","CCCN[C@H](C)C(=O)Nc1ccccc1C"
"1245","ZINC000001530820","ZINC1530820","Suxamethonium","C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C"
"1246","ZINC000001530855","ZINC1530855","Aminoglutethimide","CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O"
"1247","ZINC000001530856","ZINC1530856","Aminoglutethimide","CC[C@]1(c2ccc(N)cc2)CCC(=O)NC1=O"
"1248","ZINC000001530862","ZINC1530862","Primaquine","COc1cc(N[C@@H](C)CCCN)c2ncccc2c1"
"1249","ZINC000001530863","ZINC1530863","Primaquine","COc1cc(N[C@H](C)CCCN)c2ncccc2c1"
"1250","ZINC000001530866","ZINC1530866","Halofantrine","CCCCN(CCCC)CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12"
"1251","ZINC000001530870","ZINC1530870","Aldophosphamide","N[P@](=O)(OCCC=O)N(CCCl)CCCl"
"1252","ZINC000001530871","ZINC1530871"," ","N[P@](=O)(OCCC(=O)O)N(CCCl)CCCl"
"1253","ZINC000001530872","ZINC1530872"," ","N[P@@](=O)(OCCC(=O)O)N(CCCl)CCCl"
"1254","ZINC000001530886","ZINC1530886"," ","CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1"
"1255","ZINC000001530906","ZINC1530906","Polythiazide","CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"
"1256","ZINC000001530907","ZINC1530907","Polythiazide","CN1[C@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O"
"1257","ZINC000001530912","ZINC1530912","Emedastine","CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21"
"1258","ZINC000001530922","ZINC1530922","Fosphenytoin","O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O"
"1259","ZINC000001530929","ZINC1530929","Methohexital","C=CC[C@]1([C@@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O"
"1260","ZINC000001530930","ZINC1530930","Methohexital","C=CC[C@@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O"
"1261","ZINC000001530932","ZINC1530932"," ","CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21"
"1262","ZINC000001530934","ZINC1530934","Propiverine","CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1"
"1263","ZINC000001530935","ZINC1530935","Rabeprazole","COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C"
"1264","ZINC000001530937","ZINC1530937","Butamben","CCCCOC(=O)c1ccc(N)cc1"
"1265","ZINC000001530938","ZINC1530938","Chloroprocaine","CCN(CC)CCOC(=O)c1ccc(N)cc1Cl"
"1266","ZINC000001530939","ZINC1530939","Dibucaine","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1"
"1267","ZINC000001530940","ZINC1530940","Dyclonine","CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1"
"1268","ZINC000001530942","ZINC1530942","Propoxycaine","CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC"
"1269","ZINC000001530947","ZINC1530947","Thalomid","O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1"
"1270","ZINC000001530948","ZINC1530948","Thalomid","O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1"
"1271","ZINC000001530950","ZINC1530950","Soma","CCC[C@@](C)(COC(N)=O)COC(=O)NC(C)C"
"1272","ZINC000001530951","ZINC1530951","Soma","CCC[C@](C)(COC(N)=O)COC(=O)NC(C)C"
"1273","ZINC000001530967","ZINC1530967","Laam","CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1274","ZINC000001530968","ZINC1530968","Phisohex","Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl"
"1275","ZINC000001530973","ZINC1530973","Butoconazole","Clc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1"
"1276","ZINC000001530974","ZINC1530974","Butoconazole","Clc1ccc(CC[C@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1"
"1277","ZINC000001530975","ZINC1530975","Butenafine","CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12"
"1278","ZINC000001530977","ZINC1530977","Naftifine","CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12"
"1279","ZINC000001530981","ZINC1530981","Terbinafine","CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12"
"1280","ZINC000001530993","ZINC1530993","Loracarbef","N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1"
"1281","ZINC000001531006","ZINC1531006","Calcium Gluceptate","O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1282","ZINC000001531007","ZINC1531007","Gluceptate Sodium","O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1283","ZINC000001531008","ZINC1531008","Gluconate","O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1284","ZINC000001531009","ZINC1531009","Risedronate","O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O"
"1285","ZINC000001531010","ZINC1531010","Tiludronate","O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O"
"1286","ZINC000001531029","ZINC1531029","Meclofenoxate","CN(C)CCOC(=O)COc1ccc(Cl)cc1"
"1287","ZINC000001531036","ZINC1531036","Azelex","O=C(O)CCCCCCCC(=O)O"
"1288","ZINC000001532132","ZINC1532132"," ","COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O"
"1289","ZINC000001532179","ZINC1532179","Sensible","CCCCCCCCCCCCOS(=O)(=O)O"
"1290","ZINC000001532339","ZINC1532339","Decamethonium","C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C"
"1291","ZINC000001532418","ZINC1532418","Perillate","C=C(C)[C@@H]1CC=C(C(=O)O)CC1"
"1292","ZINC000001532419","ZINC1532419","Perillate","C=C(C)[C@H]1CC=C(C(=O)O)CC1"
"1293","ZINC000001532510","ZINC1532510","Naag","CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O"
"1294","ZINC000001532514","ZINC1532514","Plp","Cc1ncc(COP(=O)(O)O)c(C=O)c1O"
"1295","ZINC000001532517","ZINC1532517","Pyruvate","CC(=O)C(=O)O"
"1296","ZINC000001532519","ZINC1532519","Oxoglutarate","O=C(O)CCC(=O)C(=O)O"
"1297","ZINC000001532522","ZINC1532522","Lysine","NCCCC[C@H](N)C(=O)O"
"1298","ZINC000001532525","ZINC1532525","Arginine","N=C(N)NCCC[C@H](N)C(=O)O"
"1299","ZINC000001532526","ZINC1532526","Glumin","NC(=O)CC[C@H](N)C(=O)O"
"1300","ZINC000001532529","ZINC1532529","Methionine","CSCC[C@H](N)C(=O)O"
"1301","ZINC000001532530","ZINC1532530","Ornithine","NCCC[C@H](N)C(=O)O"
"1302","ZINC000001532556","ZINC1532556","Asn","NC(=O)C[C@H](N)C(=O)O"
"1303","ZINC000001532582","ZINC1532582","Thioami","NC(=O)CCCC[C@H]1CCSS1"
"1304","ZINC000001532583","ZINC1532583","Thioami","NC(=O)CCCC[C@@H]1CCSS1"
"1305","ZINC000001532614","ZINC1532614","Cir","NC(=O)NCCC[C@H](N)C(=O)O"
"1306","ZINC000001532620","ZINC1532620","Gaba","NCCCC(=O)O"
"1307","ZINC000001532640","ZINC1532640","Alexitol Sodium","OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO"
"1308","ZINC000001532673","ZINC1532673","Cystin","N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O"
"1309","ZINC000001532678","ZINC1532678","D-Ornithine","NCCC[C@@H](N)C(=O)O"
"1310","ZINC000001532680","ZINC1532680","Cystathionine","N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O"
"1311","ZINC000001532728","ZINC1532728","Betaine","C[N+](C)(C)CC(=O)O"
"1312","ZINC000001532729","ZINC1532729","Sla","O=C(O)CCCC[C@H]1CCSS1"
"1313","ZINC000001532734","ZINC1532734","Spermine","NCCCNCCCCNCCCN"
"1314","ZINC000001532766","ZINC1532766"," ","CSCC[C@@H](N)C(=O)O"
"1315","ZINC000001532805","ZINC1532805","Ghb","O=C(O)CCCO"
"1316","ZINC000001532843","ZINC1532843","Glycol","C[C@H](N)C(=O)CCCCCC(=O)O"
"1317","ZINC000001532844","ZINC1532844","Glycol","C[C@@H](N)C(=O)CCCCCC(=O)O"
"1318","ZINC000001533102","ZINC1533102","Nicorandil","O=C(NCCO[N+](=O)[O-])c1cccnc1"
"1319","ZINC000001533688","ZINC1533688","Epalrestat","CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1"
"1320","ZINC000001533874","ZINC1533874","Cinolazepam","N#CCCN1C(=O)[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc21"
"1321","ZINC000001533877","ZINC1533877","Ibandronate","CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O"
"1322","ZINC000001534965","ZINC1534965","Pitavastatin","O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1"
"1323","ZINC000001535101","ZINC1535101","Rosuvastatin","CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O"
"1324","ZINC000001535903","ZINC1535903","Pixantrone","NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O"
"1325","ZINC000001536077","ZINC1536077","Oxiracetam","NC(=O)CN1C[C@H](O)CC1=O"
"1326","ZINC000001536109","ZINC1536109","Folotyn","C#CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"1327","ZINC000001536779","ZINC1536779","Duloxetine","CNCC[C@H](Oc1cccc2ccccc12)c1cccs1"
"1328","ZINC000001536931","ZINC1536931","Amosulalol","COc1ccccc1OCCNC[C@@H](O)c1ccc(C)c(S(N)(=O)=O)c1"
"1329","ZINC000001536934","ZINC1536934","Ridogrel","O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1"
"1330","ZINC000001537194","ZINC1537194","Arbutamine","Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1"
"1331","ZINC000001538318","ZINC1538318","Iobenguane","N=C(N)NCc1cccc(I)c1"
"1332","ZINC000001538857","ZINC1538857","Bosentan","COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO"
"1333","ZINC000001539579","ZINC1539579","Targretin","C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C"
"1334","ZINC000001540228","ZINC1540228","Rimonabant","Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1"
"1335","ZINC000001540640","ZINC1540640","1-Hydroxycarvedilol","COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c2[nH]c3ccccc3c12"
"1336","ZINC000001540998","ZINC1540998"," ","Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"
"1337","ZINC000001542002","ZINC1542002","Fingolimod","CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1"
"1338","ZINC000001542113","ZINC1542113","Vilazodone","N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1"
"1339","ZINC000001542146","ZINC1542146","Pranlukast","O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1"
"1340","ZINC000001542199","ZINC1542199","Avage","CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1"
"1341","ZINC000001542392","ZINC1542392","Alfuzosin","COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC"
"1342","ZINC000001542393","ZINC1542393","Halofantrine","CCCCN(CCCC)CC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12"
"1343","ZINC000001542594","ZINC1542594","Tianeptine","CN1c2ccccc2[C@H](NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O"
"1344","ZINC000001542890","ZINC1542890","Idebenone","COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O"
"1345","ZINC000001542891","ZINC1542891","Bevantolol","COc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1OC"
"1346","ZINC000001542901","ZINC1542901","Bopindolol","Cc1cc2c(OC[C@H](CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1"
"1347","ZINC000001542906","ZINC1542906","Ibopamine","CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1"
"1348","ZINC000001542907","ZINC1542907"," ","NCC1CCC(C(=O)O)CC1"
"1349","ZINC000001542910","ZINC1542910","Nifurzide","O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])s1"
"1350","ZINC000001542913","ZINC1542913","Demexiptiline","CNCCON=c1c2ccccc2ccc2ccccc12"
"1351","ZINC000001542916","ZINC1542916","Carmofur","CCCCCCNC(=O)n1cc(F)c(O)nc1=O"
"1352","ZINC000001542919","ZINC1542919","Exalamide","CCCCCCOc1ccccc1C(N)=O"
"1353","ZINC000001542924","ZINC1542924","Oxprenolol","C=CCOc1ccccc1OC[C@H](O)CNC(C)C"
"1354","ZINC000001542927","ZINC1542927","Tiapride","CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC"
"1355","ZINC000001542929","ZINC1542929","Lofepramine","CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1"
"1356","ZINC000001542930","ZINC1542930","Cesamet","CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21"
"1357","ZINC000001542933","ZINC1542933","Menadiol Diphosphate","Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O"
"1358","ZINC000001543181","ZINC1543181","Ibutamoren","CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12"
"1359","ZINC000001543475","ZINC1543475","Tdf","C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O"
"1360","ZINC000001543873","ZINC1543873","Shh","O=C(CCCCCCC(=O)Nc1ccccc1)NO"
"1361","ZINC000001543916","ZINC1543916","Valganciclovir","CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21"
"1362","ZINC000001544157","ZINC1544157","Marimastat","CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C"
"1363","ZINC000001544683","ZINC1544683","Arzoxifene","COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1"
"1364","ZINC000001544805","ZINC1544805","Urapidil","COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1"
"1365","ZINC000001544807","ZINC1544807","Rla","O=C(O)CCCC[C@@H]1CCSS1"
"1366","ZINC000001545116","ZINC1545116"," ","O=C([C@@H](NCCCc1ccc(F)cc1)[C@H](O)c1ccc(O)c(O)c1)N1CCCC1"
"1367","ZINC000001545565","ZINC1545565","Tegaserod","CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12"
"1368","ZINC000001545566","ZINC1545566","N-Debutylhalofantrine","CCCCNCC[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12"
"1369","ZINC000001546066","ZINC1546066","Erlotinib","C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1"
"1370","ZINC000001546843","ZINC1546843","Dexecadotril","CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1"
"1371","ZINC000001546844","ZINC1546844","Ecadotril","CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1"
"1372","ZINC000001547851","ZINC1547851","Etiracetam","CC[C@@H](C(N)=O)N1CCCC1=O"
"1373","ZINC000001548097","ZINC1548097","Fanapt","COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1"
"1374","ZINC000001549362","ZINC1549362","Scv-07","N[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O"
"1375","ZINC000001550477","ZINC1550477","Lapatinib","CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1"
"1376","ZINC000001550499","ZINC1550499","Cinacalcet","C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12"
"1377","ZINC000001550766","ZINC1550766","Osphena","OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"
"1378","ZINC000001551175","ZINC1551175","Incadronic Acid","O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O"
"1379","ZINC000001552042","ZINC1552042","E-3179","CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"1380","ZINC000001552174","ZINC1552174","Pletal","O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1"
"1381","ZINC000001552908","ZINC1552908","Fesoterodine","CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1"
"1382","ZINC000001553549","ZINC1553549","4-Hydroxyatomoxetine","CNCC[C@@H](Oc1ccc(O)cc1C)c1ccccc1"
"1383","ZINC000001554010","ZINC1554010","Gabapentin","CC(C)C(=O)O[C@@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1"
"1384","ZINC000001554197","ZINC1554197","Macimorelin","CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O"
"1385","ZINC000001554274","ZINC1554274","Rilpivirine","Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1"
"1386","ZINC000001554392","ZINC1554392","Hexaminolevulinate","CCCCCCOC(=O)CCC(=O)CN"
"1387","ZINC000001554588","ZINC1554588","Acamprosate","CC(=O)NCCCS(=O)(=O)O"
"1388","ZINC000001560331","ZINC1560331"," ","N[P@](=O)(OCCCO)N(CCCl)CCCl"
"1389","ZINC000001562166","ZINC1562166","Menadiol Disulfate","Cc1cc(OS(=O)(=O)O)c2ccccc2c1OS(=O)(=O)O"
"1390","ZINC000001565247","ZINC1565247","Rimiterol","Oc1ccc([C@@H](O)[C@@H]2CCCCN2)cc1O"
"1391","ZINC000001565262","ZINC1565262","Dehydrowarfarin","CC(=O)/C=C(\c1ccccc1)c1c(O)c2ccccc2oc1=O"
"1392","ZINC000001566899","ZINC1566899","Hexafluronium","C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21"
"1393","ZINC000001567421","ZINC1567421","Mequitazina [spanish]","c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2"
"1394","ZINC000001571009","ZINC1571009","Benzethonium","CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1"
"1395","ZINC000001571392","ZINC1571392","Trofosfamide","O=[P@]1(N(CCCl)CCCl)OCCCN1CCCl"
"1396","ZINC000001574929","ZINC1574929","Norfentanyl","CCC(=O)N(c1ccccc1)C1CCNCC1"
"1397","ZINC000001576892","ZINC1576892","Oxana","CCCCCCc1ccc(O)cc1O"
"1398","ZINC000001577061","ZINC1577061"," ","OCCOc1ccccc1"
"1399","ZINC000001577120","ZINC1577120","Cruex","C=CCCCCCCCCC(=O)O"
"1400","ZINC000001585847","ZINC1585847","Droloxifene","CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1"
"1401","ZINC000001587572","ZINC1587572","Apga","Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)cnc2n1"
"1402","ZINC000001588900","ZINC1588900","N-Desmethyltamoxifen","CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccccc1"
"1403","ZINC000001590885","ZINC1590885","Propoxur","CNC(=O)Oc1ccccc1OC(C)C"
"1404","ZINC000001591814","ZINC1591814","Bzf","c1ccc2occc2c1"
"1405","ZINC000001591846","ZINC1591846"," ","O=[N+]([O-])c1ccc(-c2ccccc2)cc1"
"1406","ZINC000001593302","ZINC1593302","Ethoheptazine","CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)CC1"
"1407","ZINC000001596184","ZINC1596184","Butacaine","CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1"
"1408","ZINC000001599729","ZINC1599729"," ","O=c1cccc2n1C[C@H]1CNC[C@H]2C1"
"1409","ZINC000001599730","ZINC1599730","Cytisine","O=c1cccc2n1C[C@@H]1CNC[C@H]2C1"
"1410","ZINC000001600509","ZINC1600509","Amiloxate","COc1ccc(/C=C/C(=O)OCCC(C)C)cc1"
"1411","ZINC000001603364","ZINC1603364","Ttd","COC1=CC(=O)C(OC)=CC1=O"
"1412","ZINC000001606505","ZINC1606505","Oxyphenbutazone","CCCC[C@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O"
"1413","ZINC000001611274","ZINC1611274","Topotecan","CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1"
"1414","ZINC000001611775","ZINC1611775","3-Methoxymorphinan","COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)NCC3"
"1415","ZINC000001612996","ZINC1612996","Irinotecan","CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"1416","ZINC000001615894","ZINC1615894","Hmba","CC(=O)NCCCCCCNC(C)=O"
"1417","ZINC000001618046","ZINC1618046"," ","OC[C@@H]1NC[C@H](O)[C@H](O)[C@@H]1O"
"1418","ZINC000001622033","ZINC1622033","Surgam","C[C@H]1OC(Cc2ccccc2)O[C@@H]1C"
"1419","ZINC000001622034","ZINC1622034","Surgam","C[C@@H]1OC(Cc2ccccc2)O[C@H]1C"
"1420","ZINC000001633887","ZINC1633887","Octinoxate","CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OC)cc1"
"1421","ZINC000001633889","ZINC1633889","Octinoxate","CCCC[C@H](CC)COC(=O)/C=C/c1ccc(OC)cc1"
"1422","ZINC000001636704","ZINC1636704","Migalastat","OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O"
"1423","ZINC000001639567","ZINC1639567","Tranylcypromine","N[C@@H]1C[C@@H]1c1ccccc1"
"1424","ZINC000001640015","ZINC1640015","Mebutamate","CC[C@@H](C)C(C)(COC(N)=O)COC(N)=O"
"1425","ZINC000001640621","ZINC1640621","Sulfamethoxazole Hydroxylamine","Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1"
"1426","ZINC000001641925","ZINC1641925","Olo","Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21"
"1427","ZINC000001645453","ZINC1645453","Norfluoxetine","NCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1"
"1428","ZINC000001653612","ZINC1653612","Roseox","CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2"
"1429","ZINC000001655706","ZINC1655706","Dequalinium","Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21"
"1430","ZINC000001656327","ZINC1656327","5-Ethyl-5-Methyl-2,4-Oxazolidinedione","CC[C@@]1(C)OC(=O)NC1=O"
"1431","ZINC000001656905","ZINC1656905","Beta-Noroxycodol","COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)NCC[C@]314"
"1432","ZINC000001656906","ZINC1656906","Alpha-Noroxycodol","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)NCC[C@]314"
"1433","ZINC000001658782","ZINC1658782","Norhydrocodone","COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)NCC[C@@]314"
"1434","ZINC000001668588","ZINC1668588","Bromodiphenhydramine","CN(C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1"
"1435","ZINC000001668755","ZINC1668755"," ","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@H]2C(=O)O)OCO4)cc(OC)c1OC"
"1436","ZINC000001670385","ZINC1670385","4-Hydroxy-2,6-Dimethylaniline","Cc1cc(O)cc(C)c1N"
"1437","ZINC000001671093","ZINC1671093","Dhb","CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(C)(=O)=O"
"1438","ZINC000001671094","ZINC1671094","Dhb","CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O"
"1439","ZINC000001673962","ZINC1673962","Nor2-Chlorpromazine","NCCCN1c2ccccc2Sc2ccc(Cl)cc21"
"1440","ZINC000001675361","ZINC1675361","Drofenine","CCN(CC)CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1"
"1441","ZINC000001675415","ZINC1675415","Betahistine","CNCCc1ccccn1"
"1442","ZINC000001677763","ZINC1677763","Demoxepam","O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1"
"1443","ZINC000001678159","ZINC1678159","Fosfosal","O=C(O)c1ccccc1OP(=O)(O)O"
"1444","ZINC000001678302","ZINC1678302","Butriptyline","C[C@H](CC1c2ccccc2CCc2ccccc21)CN(C)C"
"1445","ZINC000001678303","ZINC1678303","Isothipendyl","C[C@H](CN1c2ccccc2Sc2cccnc21)N(C)C"
"1446","ZINC000001678599","ZINC1678599","Prolintane","CCC[C@@H](Cc1ccccc1)N1CCCC1"
"1447","ZINC000001683177","ZINC1683177","Acexamic Acid","CC(=O)NCCCCCC(=O)O"
"1448","ZINC000001683250","ZINC1683250","Isometheptene","CN[C@H](C)CCC=C(C)C"
"1449","ZINC000001690324","ZINC1690324","Sulisobenzone","COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O"
"1450","ZINC000001690603","ZINC1690603"," ","CC[N+](C)(C)Cc1ccccc1"
"1451","ZINC000001690604","ZINC1690604","Hydroxyamphetamine","C[C@H](N)Cc1ccc(O)cc1"
"1452","ZINC000001692966","ZINC1692966","3-O-Methyl-A-Methyldopamine","COc1cc(C[C@@H](C)N)ccc1O"
"1453","ZINC000001693280","ZINC1693280","1-Naphtaldehyde","O=Cc1cccc2ccccc12"
"1454","ZINC000001693386","ZINC1693386","Tedegyl","OCCSCCO"
"1455","ZINC000001693431","ZINC1693431","Bufa","CCCCOC(=O)c1ccccc1C(=O)OCCCC"
"1456","ZINC000001694184","ZINC1694184","Beclamide","O=C(CCCl)NCc1ccccc1"
"1457","ZINC000001697403","ZINC1697403","Propyl Acetate","CCCOC(C)=O"
"1458","ZINC000001697652","ZINC1697652","Psva","CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1"
"1459","ZINC000001698105","ZINC1698105","Pipazetate","O=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc21"
"1460","ZINC000001698306","ZINC1698306"," ","O=C(OCCO)c1ccccc1O"
"1461","ZINC000001704226","ZINC1704226","Protokylol","C[C@H](Cc1ccc2c(c1)OCO2)NC[C@H](O)c1ccc(O)c(O)c1"
"1462","ZINC000001704227","ZINC1704227","Protokylol","C[C@@H](Cc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(O)c1"
"1463","ZINC000001704228","ZINC1704228","Protokylol","C[C@H](Cc1ccc2c(c1)OCO2)NC[C@@H](O)c1ccc(O)c(O)c1"
"1464","ZINC000001704297","ZINC1704297","Tofenacin","CNCCO[C@@H](c1ccccc1)c1ccccc1C"
"1465","ZINC000001712524","ZINC1712524","Nornitrogen Mustard","ClCCNCCCl"
"1466","ZINC000001713704","ZINC1713704","2h-Dibenz[b,f]azepin-2-One","O=c1ccc2nc3ccccc3ccc-2c1"
"1467","ZINC000001713761","ZINC1713761","Nialamide","O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1"
"1468","ZINC000001713960","ZINC1713960","Methixene","CN1CCC[C@@H](CC2c3ccccc3Sc3ccccc32)C1"
"1469","ZINC000001717860","ZINC1717860","Hydroxychlorpromazine","CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21"
"1470","ZINC000001719652","ZINC1719652","Bevantolol","COc1ccc(CCNC[C@@H](O)COc2cccc(C)c2)cc1OC"
"1471","ZINC000001720764","ZINC1720764"," ","CC[N+](C)(C)C"
"1472","ZINC000001743726","ZINC1743726","Aldoifosfamide","O=[P@]1(NCCCl)OCC[C@H](O)N1CCCl"
"1473","ZINC000001751811","ZINC1751811","Dipyrithione","[O-][n+]1ccccc1SSc1cccc[n+]1[O-]"
"1474","ZINC000001769275","ZINC1769275","Iminodiacetate","O=C(O)CNCC(=O)O"
"1475","ZINC000001782155","ZINC1782155","Dipyrone","Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C"
"1476","ZINC000001812122","ZINC1812122","Oxyphenonium","CC[N+](C)(CC)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1"
"1477","ZINC000001812123","ZINC1812123","Oxyphenonium","CC[N+](C)(CC)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1"
"1478","ZINC000001842633","ZINC1842633","Tomoxetine","CNCC[C@@H](Oc1ccccc1C)c1ccccc1"
"1479","ZINC000001842686","ZINC1842686","Ampiroxicam","CCOC(=O)O[C@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21"
"1480","ZINC000001842744","ZINC1842744","Bemetizide","C[C@@H](c1ccccc1)[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"1481","ZINC000001842745","ZINC1842745","Bemetizide","C[C@H](c1ccccc1)[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"1482","ZINC000001842746","ZINC1842746","Bemetizide","C[C@@H](c1ccccc1)[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"1483","ZINC000001842775","ZINC1842775","Efaroxan","CC[C@]1(C2=NCCN2)Cc2ccccc2O1"
"1484","ZINC000001843029","ZINC1843029","D00121","NC(=O)N[C@H]1NC(=O)NC1=O"
"1485","ZINC000001843030","ZINC1843030","D00121","NC(=O)N[C@@H]1NC(=O)NC1=O"
"1486","ZINC000001843042","ZINC1843042","Emepronium","CC[N+](C)(C)[C@H](C)CC(c1ccccc1)c1ccccc1"
"1487","ZINC000001843047","ZINC1843047","Secnidazole","Cc1ncc([N+](=O)[O-])n1C[C@H](C)O"
"1488","ZINC000001843099","ZINC1843099","Alfuzosin","COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC"
"1489","ZINC000001844627","ZINC1844627","Talniflumate","O=C1O[C@@H](OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21"
"1490","ZINC000001845689","ZINC1845689","N-Isopropylterephthalamic Acid","CC(C)NC(=O)c1ccc(C(=O)O)cc1"
"1491","ZINC000001845780","ZINC1845780","1-Methylurate","Cn1c(O)nc2nc(O)[nH]c2c1=O"
"1492","ZINC000001846079","ZINC1846079","Stepronin","C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)O"
"1493","ZINC000001846080","ZINC1846080","Stepronin","C[C@@H](SC(=O)c1cccs1)C(=O)NCC(=O)O"
"1494","ZINC000001846088","ZINC1846088","Amisulpride","CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC"
"1495","ZINC000001846128","ZINC1846128","Loxoprofen","C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1"
"1496","ZINC000001846129","ZINC1846129","Loxoprofen","C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1"
"1497","ZINC000001846130","ZINC1846130","Loxoprofen","C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1"
"1498","ZINC000001846165","ZINC1846165","Tianeptine","CN1c2ccccc2[C@@H](NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O"
"1499","ZINC000001846199","ZINC1846199","Eperisone","CCc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1"
"1500","ZINC000001846283","ZINC1846283","Talinolol","CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1"
"1501","ZINC000001846418","ZINC1846418"," ","CCN(C)[C@@H](C)[C@H](O)c1ccccc1"
"1502","ZINC000001846431","ZINC1846431"," ","O=C[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO"
"1503","ZINC000001846476","ZINC1846476","Fenquizone","NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccccc1)NC2=O"
"1504","ZINC000001847280","ZINC1847280","Normethadone","CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1"
"1505","ZINC000001847395","ZINC1847395"," ","FC(F)CC(F)(F)F"
"1506","ZINC000001847459","ZINC1847459","Para-Trifluoromethylphenol","Oc1ccc(C(F)(F)F)cc1"
"1507","ZINC000001849477","ZINC1849477","Tamoxifen N-Oxide","CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1"
"1508","ZINC000001849548","ZINC1849548","Ihd","O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12"
"1509","ZINC000001849578","ZINC1849578","Dehydrofelodipine","CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Cl)c1Cl"
"1510","ZINC000001849666","ZINC1849666","Nor1-Chlorpromazine","CNCCCN1c2ccccc2Sc2ccc(Cl)cc21"
"1511","ZINC000001849759","ZINC1849759","Alpha-Bisabolol","CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1"
"1512","ZINC000001850155","ZINC1850155"," ","O=C1[C@H](N(CO)C(=O)NCO)N(CO)C(=O)N1CO"
"1513","ZINC000001850156","ZINC1850156"," ","O=C1[C@@H](N(CO)C(=O)NCO)N(CO)C(=O)N1CO"
"1514","ZINC000001850374","ZINC1850374","Nix","CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1"
"1515","ZINC000001850376","ZINC1850376","Nix","CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1"
"1516","ZINC000001850377","ZINC1850377","Nix","CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1"
"1517","ZINC000001850508","ZINC1850508"," ","CCCCCCCCCc1ccc(OCCO)cc1"
"1518","ZINC000001850623","ZINC1850623","Fenproporex","C[C@@H](Cc1ccccc1)NCCC#N"
"1519","ZINC000001850625","ZINC1850625","Fenproporex","C[C@H](Cc1ccccc1)NCCC#N"
"1520","ZINC000001851132","ZINC1851132","Pemetrexed","Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1"
"1521","ZINC000001851149","ZINC1851149","Abilify","O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1"
"1522","ZINC000001851194","ZINC1851194"," ","N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@@H]12)c1ccccc1"
"1523","ZINC000001851195","ZINC1851195"," ","N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@@H]12)c1ccccc1"
"1524","ZINC000001851198","ZINC1851198"," ","N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1"
"1525","ZINC000001851201","ZINC1851201"," ","N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1"
"1526","ZINC000001851599","ZINC1851599"," ","O=C(O)CCCCO/N=C(\c1cccnc1)c1cccc(C(F)(F)F)c1"
"1527","ZINC000001853205","ZINC1853205","Mavik","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21"
"1528","ZINC000001853454","ZINC1853454","N-(2-Carboxymethyl)-Morpholine","O=C(O)CN1CCOCC1"
"1529","ZINC000001853550","ZINC1853550","Sertraline","CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"
"1530","ZINC000001854466","ZINC1854466","Moxonidine","COc1nc(C)nc(Cl)c1N=C1NCCN1"
"1531","ZINC000001855421","ZINC1855421","Indecainide","CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21"
"1532","ZINC000001856108","ZINC1856108","Pramiracetam","CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C"
"1533","ZINC000001856991","ZINC1856991","Nortropanoline","O[C@H]1[C@@H]2CC[C@@](O)(N2)[C@@H](O)[C@@H]1O"
"1534","ZINC000001869573","ZINC1869573","Palifosfamide","O=P(O)(NCCCl)NCCCl"
"1535","ZINC000001869694","ZINC1869694","Carprofen","C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12"
"1536","ZINC000001873617","ZINC1873617","Desethylchloroquine","CCNCCC[C@H](C)Nc1ccnc2cc(Cl)ccc12"
"1537","ZINC000001873938","ZINC1873938","Etanidazole","O=C(Cn1ccnc1[N+](=O)[O-])NCCO"
"1538","ZINC000001883067","ZINC1883067","Trinitrophenol","O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1"
"1539","ZINC000001886617","ZINC1886617","Lescol","CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21"
"1540","ZINC000001891034","ZINC1891034","Prucalopride","COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1"
"1541","ZINC000001895505","ZINC1895505","Bazedoxifene","Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12"
"1542","ZINC000001909090","ZINC1909090","Metvix","COC(=O)CCC(=O)CN"
"1543","ZINC000001995484","ZINC1995484","Valganciclovir","CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21"
"1544","ZINC000001996117","ZINC1996117","Darifenacin","NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1"
"1545","ZINC000001996306","ZINC1996306","Cypermethrin","CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1"
"1546","ZINC000001996784","ZINC1996784","Myrbetriq","Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1"
"1547","ZINC000001997125","ZINC1997125","Pomalyst","Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O"
"1548","ZINC000001997127","ZINC1997127","Imid3","Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O"
"1549","ZINC000001997240","ZINC1997240"," ","CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCCN2CC)c1O"
"1550","ZINC000001997889","ZINC1997889","Cadralazine","CCOC(=O)NNc1ccc(N(CC)C[C@H](C)O)nn1"
"1551","ZINC000001999256","ZINC1999256","Promestriene","CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12"
"1552","ZINC000001999403","ZINC1999403","Viloxazine","CCOc1ccccc1OC[C@H]1CNCCO1"
"1553","ZINC000001999441","ZINC1999441"," ","O[C@@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1"
"1554","ZINC000001999487","ZINC1999487","Epinastine","NC1=NC[C@H]2c3ccccc3Cc3ccccc3N12"
"1555","ZINC000001999491","ZINC1999491","Neridronic Acid","NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O"
"1556","ZINC000001999512","ZINC1999512","Moprolol","COc1ccccc1OC[C@@H](O)CNC(C)C"
"1557","ZINC000001999542","ZINC1999542","Perhexiline","C1CCC(C(C[C@H]2CCCCN2)C2CCCCC2)CC1"
"1558","ZINC000001999543","ZINC1999543","Perhexiline","C1CCC(C(C[C@@H]2CCCCN2)C2CCCCC2)CC1"
"1559","ZINC000001999544","ZINC1999544","Oxprenolol","C=CCOc1ccccc1OC[C@@H](O)CNC(C)C"
"1560","ZINC000002000707","ZINC2000707","Lodoxamide","N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1"
"1561","ZINC000002000902","ZINC2000902","8-Hydroxyamoxapine","Oc1ccc2c(c1)N=C(N1CCNCC1)c1cc(Cl)ccc1O2"
"1562","ZINC000002001180","ZINC2001180","Desglymidodrine","COc1ccc(OC)c([C@H](O)CN)c1"
"1563","ZINC000002001181","ZINC2001181","Desglymidodrine","COc1ccc(OC)c([C@@H](O)CN)c1"
"1564","ZINC000002001364","ZINC2001364","Alizapride","C=CCN1CCC[C@H]1CNC(=O)c1cc2[nH]nnc2cc1OC"
"1565","ZINC000002001365","ZINC2001365","Alizapride","C=CCN1CCC[C@@H]1CNC(=O)c1cc2[nH]nnc2cc1OC"
"1566","ZINC000002001740","ZINC2001740","Amineptine","O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21"
"1567","ZINC000002001884","ZINC2001884","Celiprolol","CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(C(C)=O)c1"
"1568","ZINC000002003663","ZINC2003663","N-Desmethyldiphenhydramine","CNCCOC(c1ccccc1)c1ccccc1"
"1569","ZINC000002003702","ZINC2003702","Drofenine","CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1CCCCC1"
"1570","ZINC000002004425","ZINC2004425","Sulfinpyrazone Sulfone","O=C1C(CCS(=O)(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"
"1571","ZINC000002005072","ZINC2005072","Ciprofibrate","CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)O"
"1572","ZINC000002005163","ZINC2005163","Methoprene","COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C"
"1573","ZINC000002005305","ZINC2005305","5-Methyltetrahydrofolate","CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"1574","ZINC000002005534","ZINC2005534","Phenothrin","CC(C)=C[C@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C"
"1575","ZINC000002005550","ZINC2005550","Secobarbital","C=CCC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O"
"1576","ZINC000002005673","ZINC2005673","Napqi","CC(=O)N=C1C=CC(=O)C=C1"
"1577","ZINC000002005958","ZINC2005958","Stiripentol","CC(C)(C)[C@H](O)/C=C/c1ccc2c(c1)OCO2"
"1578","ZINC000002007481","ZINC2007481","Befunolol","CC(=O)c1cc2cccc(OC[C@@H](O)CNC(C)C)c2o1"
"1579","ZINC000002007678","ZINC2007678","Acetylmethadol","CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1580","ZINC000002007680","ZINC2007680","Acetylmethadol","CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1581","ZINC000002007682","ZINC2007682","Acetylmethadol","CC[C@@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1"
"1582","ZINC000002007774","ZINC2007774","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1C[C@H](O)C(C)=C[C@H]21"
"1583","ZINC000002007775","ZINC2007775","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1C[C@H](O)C(C)=C[C@@H]21"
"1584","ZINC000002007776","ZINC2007776"," ","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@H]21"
"1585","ZINC000002007778","ZINC2007778","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@H](O)C(C)=C[C@@H]21"
"1586","ZINC000002008310","ZINC2008310"," ","Cc1ccc(/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1"
"1587","ZINC000002008391","ZINC2008391","11-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@H]21"
"1588","ZINC000002008392","ZINC2008392","11-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(CO)=C[C@@H]21"
"1589","ZINC000002008393","ZINC2008393","11-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@H]21"
"1590","ZINC000002008394","ZINC2008394","11-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21"
"1591","ZINC000002008504","ZINC2008504","Camazepam","CN(C)C(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O"
"1592","ZINC000002008786","ZINC2008786"," ","C=C(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O"
"1593","ZINC000002008866","ZINC2008866","Zyvox","CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1"
"1594","ZINC000002010790","ZINC2010790","Pirprofen","C[C@@H](C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1"
"1595","ZINC000002011566","ZINC2011566","Toloxatone","Cc1cccc(N2C[C@H](CO)OC2=O)c1"
"1596","ZINC000002011568","ZINC2011568","Mequitazina [spanish]","c1ccc2c(c1)Sc1ccccc1N2C[C@H]1CN2CCC1CC2"
"1597","ZINC000002011625","ZINC2011625","Ethyl Loflazepate","CCOC(=O)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O"
"1598","ZINC000002012726","ZINC2012726","Ketazolam","CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3[C@@]2(c2ccccc2)O1"
"1599","ZINC000002013188","ZINC2013188","Phenothrin","CC(C)=C[C@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C"
"1600","ZINC000002013189","ZINC2013189","Phenothrin","CC(C)=C[C@@H]1[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C"
"1601","ZINC000002014722","ZINC2014722","Tilidine","CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1N(C)C"
"1602","ZINC000002014875","ZINC2014875","Alclofenac","C=CCOc1ccc(CC(=O)O)cc1Cl"
"1603","ZINC000002014976","ZINC2014976","Floctafenine","O=C(OC[C@@H](O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12"
"1604","ZINC000002015035","ZINC2015035","L-Dops","N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1"
"1605","ZINC000002015039","ZINC2015039","Benfluorex","C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1"
"1606","ZINC000002015040","ZINC2015040","Benfluorex","C[C@H](Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1"
"1607","ZINC000002015244","ZINC2015244","Inofal","CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21"
"1608","ZINC000002015558","ZINC2015558","Benfotiamine","C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N"
"1609","ZINC000002015559","ZINC2015559"," ","C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N"
"1610","ZINC000002015928","ZINC2015928","Abacavir","Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1"
"1611","ZINC000002015965","ZINC2015965","Bisorcic","CC(=O)NCCC[C@H](NC(C)=O)C(=O)O"
"1612","ZINC000002015981","ZINC2015981","Balofloxacin","CN[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1"
"1613","ZINC000002015997","ZINC2015997","Moguisteine","CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC"
"1614","ZINC000002016032","ZINC2016032","Lanoconazole","N#C/C(=C1/SC[C@@H](c2ccccc2Cl)S1)n1ccnc1"
"1615","ZINC000002016037","ZINC2016037","Sertaconazole","Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1"
"1616","ZINC000002016052","ZINC2016052","Renagel","ClC[C@H]1CO1"
"1617","ZINC000002016257","ZINC2016257","Padimate O","CCCC[C@@H](CC)COC(=O)c1ccc(N(C)C)cc1"
"1618","ZINC000002016258","ZINC2016258","Padimate O","CCCC[C@H](CC)COC(=O)c1ccc(N(C)C)cc1"
"1619","ZINC000002017901","ZINC2017901"," ","O=C1Nc2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1"
"1620","ZINC000002018134","ZINC2018134","N-Desmethylpromazine","CNCCCN1c2ccccc2Sc2ccccc21"
"1621","ZINC000002018620","ZINC2018620","Hbo","COc1ccc2c(c1)O[C@@H](O)C(=O)N2O"
"1622","ZINC000002018621","ZINC2018621","Hbo","COc1ccc2c(c1)O[C@H](O)C(=O)N2O"
"1623","ZINC000002018845","ZINC2018845","Tofenacin","CNCCO[C@H](c1ccccc1)c1ccccc1C"
"1624","ZINC000002018980","ZINC2018980","Clobutinol","C[C@@H](CN(C)C)[C@](C)(O)Cc1ccc(Cl)cc1"
"1625","ZINC000002018981","ZINC2018981","Clobutinol","C[C@@H](CN(C)C)[C@@](C)(O)Cc1ccc(Cl)cc1"
"1626","ZINC000002018982","ZINC2018982","Clobutinol","C[C@H](CN(C)C)[C@@](C)(O)Cc1ccc(Cl)cc1"
"1627","ZINC000002019360","ZINC2019360"," ","CCOC(=O)Cc1ccc(-c2ccccc2)cc1"
"1628","ZINC000002019492","ZINC2019492","Benoxinate","CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N"
"1629","ZINC000002019529","ZINC2019529","Fendiline","C[C@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1"
"1630","ZINC000002019585","ZINC2019585","Apazone","CCC[C@@H]1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O"
"1631","ZINC000002019621","ZINC2019621","Aceprometazine","CC(=O)c1ccc2c(c1)N(C[C@@H](C)N(C)C)c1ccccc1S2"
"1632","ZINC000002019886","ZINC2019886","Aceglutamid","CC(=O)N[C@@H](CCC(N)=O)C(=O)O"
"1633","ZINC000002019929","ZINC2019929","Etofibrate","CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1"
"1634","ZINC000002019953","ZINC2019953","Articaine","CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC"
"1635","ZINC000002019954","ZINC2019954","Articaine","CCCN[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC"
"1636","ZINC000002019996","ZINC2019996","Amosulalol","COc1ccccc1OCCNC[C@H](O)c1ccc(C)c(S(N)(=O)=O)c1"
"1637","ZINC000002020018","ZINC2020018","Iproheptine","CC(C)CCC[C@@H](C)NC(C)C"
"1638","ZINC000002020019","ZINC2020019","Iproheptine","CC(C)CCC[C@H](C)NC(C)C"
"1639","ZINC000002020020","ZINC2020020","Nicoboxil","CCCCOCCOC(=O)c1cccnc1"
"1640","ZINC000002020068","ZINC2020068"," ","C[C@H]1CCC[C@@H](C)N1CCC[C@](O)(c1ccccc1)c1ccccn1"
"1641","ZINC000002020083","ZINC2020083","Benzydamine","CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12"
"1642","ZINC000002020110","ZINC2020110","4-Amino-4'-Hydroxamine-Diphenylsulphone","Nc1ccc(S(=O)(=O)c2ccc(NO)cc2)cc1"
"1643","ZINC000002020233","ZINC2020233","Efv","O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1"
"1644","ZINC000002020259","ZINC2020259","Meglumine","CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1645","ZINC000002020519","ZINC2020519"," ","C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12"
"1646","ZINC000002021799","ZINC2021799","Remoxipride","CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC"
"1647","ZINC000002021931","ZINC2021931","Bambuterol","CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC(C)(C)C)c1"
"1648","ZINC000002031038","ZINC2031038","Fursultiamine","C/C(=C(/CCO)SSC[C@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N"
"1649","ZINC000002031042","ZINC2031042","Fursultiamine","C/C(=C(/CCO)SSC[C@@H]1CCCO1)N(C=O)Cc1cnc(C)nc1N"
"1650","ZINC000002032320","ZINC2032320","Bopindolol","Cc1cc2c(OC[C@@H](CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1"
"1651","ZINC000002032615","ZINC2032615","Nix","CC1(C)[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl"
"1652","ZINC000002032663","ZINC2032663","Hydroxyhexamide","C[C@H](O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1"
"1653","ZINC000002033583","ZINC2033583"," ","N[P@@](=O)(OCCCO)N(CCCl)CCCl"
"1654","ZINC000002034208","ZINC2034208","Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21"
"1655","ZINC000002034481","ZINC2034481","3-Methylurate","Cn1c(=O)nc(O)c2[nH]c(=O)[nH]c21"
"1656","ZINC000002034516","ZINC2034516","Etofenamate","O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1"
"1657","ZINC000002034892","ZINC2034892","Hexylcaine","C[C@@H](CNC1CCCCC1)OC(=O)c1ccccc1"
"1658","ZINC000002034893","ZINC2034893","Amylocaine","CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1"
"1659","ZINC000002035094","ZINC2035094","4-Ketoifosfamide","O=C1CCO[P@](=O)(NCCCl)N1CCCl"
"1660","ZINC000002035742","ZINC2035742","N-Desmethyldoxepin","CNCC/C=C1/c2ccccc2COc2ccccc21"
"1661","ZINC000002036824","ZINC2036824","Monoethylglycinexylidide","CCNCC(=O)Nc1c(C)cccc1C"
"1662","ZINC000002036848","ZINC2036848","Riboflavin","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C"
"1663","ZINC000002036915","ZINC2036915","Aminopterin","Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1"
"1664","ZINC000002036972","ZINC2036972","Isometheptene","CN[C@@H](C)CCC=C(C)C"
"1665","ZINC000002038104","ZINC2038104","Bromopride","CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC"
"1666","ZINC000002038451","ZINC2038451","Fenethylline","C[C@@H](Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C"
"1667","ZINC000002038643","ZINC2038643","A-Methyldopamine","C[C@H](N)Cc1ccc(O)c(O)c1"
"1668","ZINC000002038644","ZINC2038644","A-Methyldopamine","C[C@@H](N)Cc1ccc(O)c(O)c1"
"1669","ZINC000002038967","ZINC2038967","Buthiazide","CC(C)C[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1"
"1670","ZINC000002039015","ZINC2039015","6-Thiourate","O=c1nc(S)c2[nH]c(O)nc2[nH]1"
"1671","ZINC000002039624","ZINC2039624","Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C)=C[C@H]21"
"1672","ZINC000002039625","ZINC2039625","Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C)=C[C@@H]21"
"1673","ZINC000002039651","ZINC2039651","Amylmetacresol","CCCCCc1ccc(C)cc1O"
"1674","ZINC000002040210","ZINC2040210","Captodiame","CCCCSc1ccc([C@H](SCCN(C)C)c2ccccc2)cc1"
"1675","ZINC000002040211","ZINC2040211","Captodiame","CCCCSc1ccc([C@@H](SCCN(C)C)c2ccccc2)cc1"
"1676","ZINC000002040287","ZINC2040287","Loramet","CN1C(=O)[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21"
"1677","ZINC000002040459","ZINC2040459","Atropaldehyde","C=C(C=O)c1ccccc1"
"1678","ZINC000002040609","ZINC2040609","Desmethylcyclobenzaprine","CNCCC=C1c2ccccc2C=Cc2ccccc21"
"1679","ZINC000002040778","ZINC2040778","Glymidine","COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1"
"1680","ZINC000002040854","ZINC2040854","Sevitin","NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O"
"1681","ZINC000002040950","ZINC2040950","Zoalene","Cc1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]"
"1682","ZINC000002040984","ZINC2040984","Tetradecyl Sulfuric Acid","CCCC[C@@H](CC)CC[C@@H](CC(C)C)OS(=O)(=O)O"
"1683","ZINC000002040985","ZINC2040985","Tetradecyl Sulfuric Acid","CCCC[C@H](CC)CC[C@@H](CC(C)C)OS(=O)(=O)O"
"1684","ZINC000002040986","ZINC2040986","Tetradecyl Sulfuric Acid","CCCC[C@@H](CC)CC[C@H](CC(C)C)OS(=O)(=O)O"
"1685","ZINC000002040987","ZINC2040987","Tetradecyl Sulfuric Acid","CCCC[C@H](CC)CC[C@H](CC(C)C)OS(=O)(=O)O"
"1686","ZINC000002041003","ZINC2041003","Urate","O=c1nc2[nH]c(=O)[nH]c2c(O)[nH]1"
"1687","ZINC000002041017","ZINC2041017","Oxyphenbutazone","CCCC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O"
"1688","ZINC000002041046","ZINC2041046","Bethanidine","C/N=C(\NC)NCc1ccccc1"
"1689","ZINC000002041279","ZINC2041279","Isoaminile","CC(C)[C@](C#N)(C[C@@H](C)N(C)C)c1ccccc1"
"1690","ZINC000002041280","ZINC2041280","Isoaminile","CC(C)[C@@](C#N)(C[C@@H](C)N(C)C)c1ccccc1"
"1691","ZINC000002041281","ZINC2041281","Isoaminile","CC(C)[C@@](C#N)(C[C@H](C)N(C)C)c1ccccc1"
"1692","ZINC000002041282","ZINC2041282","Cycrimine","O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCC1"
"1693","ZINC000002041302","ZINC2041302","Mannit","OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1694","ZINC000002041322","ZINC2041322","Mebutamate","CC[C@H](C)C(C)(COC(N)=O)COC(N)=O"
"1695","ZINC000002041360","ZINC2041360","Hexobarbital","CN1C(=O)NC(=O)[C@@](C)(C2=CCCCC2)C1=O"
"1696","ZINC000002041380","ZINC2041380","Pentolinium","C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1"
"1697","ZINC000002042694","ZINC2042694","Desethylchloroquine","CCNCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12"
"1698","ZINC000002077807","ZINC2077807","N-Acetyl-D-Glucosamine","CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO"
"1699","ZINC000002112569","ZINC2112569"," ","CN1[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H](O)C2"
"1700","ZINC000002130970","ZINC2130970"," ","Cc1cn([C@@H]2C[C@H](N)[C@H](CO)O2)c(=O)[nH]c1=O"
"1701","ZINC000002149829","ZINC2149829","Clofoctol","CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1"
"1702","ZINC000002167062","ZINC2167062","4-Carboxypyrazole","O=C(O)c1cn[nH]c1"
"1703","ZINC000002169830","ZINC2169830","Myocol","Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
"1704","ZINC000002170224","ZINC2170224","E-10-Hydroxynortriptyline","CNCC/C=C1\c2ccccc2C[C@@H](O)c2ccccc21"
"1705","ZINC000002170227","ZINC2170227","E-10-Hydroxynortriptyline","CNCC/C=C1\c2ccccc2C[C@H](O)c2ccccc21"
"1706","ZINC000002243733","ZINC2243733","O-Desmethyltramadol","CN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1"
"1707","ZINC000002244165","ZINC2244165","4-Hydroxytriazolam","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@@H]2O"
"1708","ZINC000002378674","ZINC2378674","Fluorobenzoylpropionic Acid","O=C(O)CCC(=O)c1ccc(F)c(F)c1"
"1709","ZINC000002379161","ZINC2379161","Norcotinine","O=C1CC[C@H](c2cccnc2)N1"
"1710","ZINC000002380356","ZINC2380356","2-Hydroxy-4-Trifluoromethyl Benzoic Acid","O=C(O)c1ccc(C(F)(F)F)cc1O"
"1711","ZINC000002382375","ZINC2382375","Paracetamol Sulfate","CC(=O)Nc1ccc(OS(=O)(=O)O)cc1"
"1712","ZINC000002383046","ZINC2383046"," ","O=C(O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl"
"1713","ZINC000002383210","ZINC2383210","5-Hydroxydantrolene","O=C1N=C(O)[C@H](O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1"
"1714","ZINC000002384341","ZINC2384341","Isoxaflutole","CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1"
"1715","ZINC000002387156","ZINC2387156","Norsertraline","N[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"
"1716","ZINC000002388372","ZINC2388372","3-Hydroxy-4-Aminopyridine","Nc1ccncc1O"
"1717","ZINC000002504597","ZINC2504597","Eddp","C/C=C1\N(C)[C@H](C)CC1(c1ccccc1)c1ccccc1"
"1718","ZINC000002504638","ZINC2504638","Spaglumic Acid","CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O"
"1719","ZINC000002509755","ZINC2509755","O-Desmethylcarvedilol","Oc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"
"1720","ZINC000002509756","ZINC2509756","O-Desmethyltramadol","CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1"
"1721","ZINC000002509772","ZINC2509772","Hydroxybupropion","C[C@H](NC(C)(C)CO)C(=O)c1cccc(Cl)c1"
"1722","ZINC000002510358","ZINC2510358","Phenytoin","O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1"
"1723","ZINC000002510775","ZINC2510775","N-Desmethyltramadol","CNC[C@@H]1CCCC[C@@]1(O)c1cccc(OC)c1"
"1724","ZINC000002510873","ZINC2510873","Dasotraline","N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"
"1725","ZINC000002512178","ZINC2512178","4'-Hydroxymephenytoin","CC[C@]1(c2ccc(O)cc2)NC(=O)N(C)C1=O"
"1726","ZINC000002516030","ZINC2516030","Hydroxyhaloperidol","O[C@@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"1727","ZINC000002516268","ZINC2516268","Monoctanoin Component A","CCCCCCCC(=O)OC[C@H](O)CO"
"1728","ZINC000002516902","ZINC2516902","Hydroxytolbutamide","CCCCN/C(O)=N/S(=O)(=O)c1ccc(CO)cc1"
"1729","ZINC000002519740","ZINC2519740","Fospropofol","CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O"
"1730","ZINC000002522648","ZINC2522648","Methylphenidate","COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1"
"1731","ZINC000002522669","ZINC2522669","Fentanyl","CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1"
"1732","ZINC000002522694","ZINC2522694","Noroxymorphone","O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3)[C@H]1O5"
"1733","ZINC000002525881","ZINC2525881","N,n,o-Tridesmethyl-Tramadol","NC[C@H]1CCCC[C@]1(O)c1cccc(O)c1"
"1734","ZINC000002525883","ZINC2525883","N-Desmethyltramadol","CNC[C@H]1CCCC[C@]1(O)c1cccc(OC)c1"
"1735","ZINC000002525884","ZINC2525884","N-Desmethylvenlafaxine","CNC[C@H](c1ccc(OC)cc1)C1(O)CCCCC1"
"1736","ZINC000002525885","ZINC2525885","Desvenlafaxine","CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1"
"1737","ZINC000002525891","ZINC2525891","N,o-Didesmethyltramadol","CNC[C@H]1CCCC[C@]1(O)c1cccc(O)c1"
"1738","ZINC000002525893","ZINC2525893","N,o-Didesmethylvenlafaxine","CNC[C@H](c1ccc(O)cc1)C1(O)CCCCC1"
"1739","ZINC000002526388","ZINC2526388","4'-Hydroxycarvedilol","COc1cc(O)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"
"1740","ZINC000002526389","ZINC2526389","5'-Hydroxycarvedilol","COc1ccc(O)cc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"
"1741","ZINC000002526765","ZINC2526765","Cypermethrin","CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl"
"1742","ZINC000002528486","ZINC2528486","O-Desmethylcarvedilol","Oc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12"
"1743","ZINC000002528509","ZINC2528509","4'-Hydroxycarvedilol","COc1cc(O)ccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12"
"1744","ZINC000002528510","ZINC2528510","5'-Hydroxycarvedilol","COc1ccc(O)cc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12"
"1745","ZINC000002530703","ZINC2530703","Dehydronifedipine","COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-]"
"1746","ZINC000002530725","ZINC2530725","Alexitol Sodium","OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO"
"1747","ZINC000002539484","ZINC2539484","Mechlorethamine","CN(CCCl)CCCl"
"1748","ZINC000002539618","ZINC2539618","Tocopherol","Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2"
"1749","ZINC000002539702","ZINC2539702","Fujiglucon","O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"
"1750","ZINC000002539827","ZINC2539827","Kuvan","C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1"
"1751","ZINC000002548959","ZINC2548959"," ","COc1c2occc2cc2ccc(=O)oc12"
"1752","ZINC000002559943","ZINC2559943","Ifenprodil","C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"
"1753","ZINC000002561203","ZINC2561203","Butyl Vanillyl Ether","CCCCOCc1ccc(O)c(OC)c1"
"1754","ZINC000002561369","ZINC2561369","Fenpropidin","C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1"
"1755","ZINC000002563085","ZINC2563085","Estradiol","CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"
"1756","ZINC000002565787","ZINC2565787","1'-Hydroxytriazolam","OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2"
"1757","ZINC000002566542","ZINC2566542","P-Chlorobenzene Sulfonyl Urea","NC(=O)NS(=O)(=O)c1ccc(Cl)cc1"
"1758","ZINC000002568036","ZINC2568036","Dantrolene","O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1"
"1759","ZINC000002568171","ZINC2568171","Alpha-Hydroxyalprazolam","OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"
"1760","ZINC000002568176","ZINC2568176","Methaqualone","Cc1ccccc1-n1c(C)nc2ccccc2c1=O"
"1761","ZINC000002568290","ZINC2568290","Id11614","c1ccc2c(N3CCNCC3)nsc2c1"
"1762","ZINC000002570817","ZINC2570817","Bromfenac","Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1"
"1763","ZINC000002570830","ZINC2570830","Brotizolam","Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2"
"1764","ZINC000002570839","ZINC2570839","4-En-Metabolite","C=CC[C@H](CCC)C(=O)O"
"1765","ZINC000002570844","ZINC2570844","3-Oxovalproic Acid","CCC[C@@H](C(=O)O)C(=O)CC"
"1766","ZINC000002570845","ZINC2570845","(3e)-2-Propylpent-3-Enoic Acid","C/C=C/[C@H](CCC)C(=O)O"
"1767","ZINC000002570846","ZINC2570846","3-Oh-Vpa","CCC[C@@H](C(=O)O)[C@H](O)CC"
"1768","ZINC000002570852","ZINC2570852","O-Desmethylnaproxen","C[C@H](C(=O)O)c1ccc2cc(O)ccc2c1"
"1769","ZINC000002570857","ZINC2570857","P-Hydroxynordiazepam","O=C1CN=C(c2ccc(O)cc2)c2cc(Cl)ccc2N1"
"1770","ZINC000002570877","ZINC2570877","Desmethylclomipramine","CNCCCN1c2ccccc2CCc2ccc(Cl)cc21"
"1771","ZINC000002570878","ZINC2570878","Alpha-Hydroxymidazolam","OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2"
"1772","ZINC000002570882","ZINC2570882","4-Hydroxyalprazolam","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@@H]2O"
"1773","ZINC000002570883","ZINC2570883","Alpha-Hydroxymetoprolol","COC[C@@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1"
"1774","ZINC000002570884","ZINC2570884","5-Acetylamino-6-Formylamino-3-Methyluracil","CC(=O)Nc1c(NC=O)nc(O)n(C)c1=O"
"1775","ZINC000002570895","ZINC2570895","Celebrex","Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"
"1776","ZINC000002572372","ZINC2572372","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C"
"1777","ZINC000002572599","ZINC2572599","Ritalinic Acid","O=C(O)[C@@H](c1ccccc1)[C@@H]1CCCCN1"
"1778","ZINC000002572666","ZINC2572666"," ","CN1c2c(nc(N)[nH]c2=O)NC[C@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"1779","ZINC000002572820","ZINC2572820","Noroxycodone","COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)NCC[C@]314"
"1780","ZINC000002575722","ZINC2575722","Noracymethadol","CC[C@H](OC(C)=O)C(C[C@H](C)NC)(c1ccccc1)c1ccccc1"
"1781","ZINC000002578897","ZINC2578897","5-Oh-Vpa","CCC[C@H](CCCO)C(=O)O"
"1782","ZINC000002578948","ZINC2578948","2-Propylglutaric Acid","CCC[C@H](CCC(=O)O)C(=O)O"
"1783","ZINC000002581450","ZINC2581450","4-Oh-Vpa","CCC[C@H](C[C@@H](C)O)C(=O)O"
"1784","ZINC000002583356","ZINC2583356","N-Desethyloxybutynin","CCNCC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1"
"1785","ZINC000002583631","ZINC2583631","Lamivudine-Monophosphate","Nc1ccn([C@H]2CS[C@@H](COP(=O)(O)O)O2)c(=O)n1"
"1786","ZINC000002583798","ZINC2583798","N-Desisopropylpropranolol","NC[C@H](O)COc1cccc2ccccc12"
"1787","ZINC000002584391","ZINC2584391","Mua","Cn1c(=O)[nH]c2c(=O)[nH]c(O)nc21"
"1788","ZINC000002584392","ZINC2584392","1,9-Dimethyl-2,6,8-Trihydroxypurine","Cn1c(O)nc2c([nH]c(=O)n2C)c1=O"
"1789","ZINC000002585429","ZINC2585429","Imr","OC[C@@H]1NC[C@@H](O)[C@@H]1O"
"1790","ZINC000002586020","ZINC2586020","3-(3,4-Dihydroxyphenyl)-2-Methylpropionic Acid","C[C@@H](Cc1ccc(O)c(O)c1)C(=O)O"
"1791","ZINC000002598081","ZINC2598081","3,4-Dihydroxyphenylacetone","CC(=O)Cc1ccc(O)c(O)c1"
"1792","ZINC000002599970","ZINC2599970","Formoterol","COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1"
"1793","ZINC000002635368","ZINC2635368","Glycinexylidide","Cc1cccc(C)c1NC(=O)CN"
"1794","ZINC000002847375","ZINC2847375","Diethylpropion","CCN(CC)[C@H](C)C(=O)c1ccccc1"
"1795","ZINC000002986592","ZINC2986592","Eterobarb","CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O"
"1796","ZINC000003008621","ZINC3008621","Valproic","CCCC(CCC)C(=O)O"
"1797","ZINC000003079336","ZINC3079336","Acetylcholine","CC(=O)OCC[N+](C)(C)C"
"1798","ZINC000003079337","ZINC3079337","Choline","C[N+](C)(C)CCO"
"1799","ZINC000003079340","ZINC3079340","Carnitor","C[N+](C)(C)C[C@H](O)CC(=O)O"
"1800","ZINC000003079342","ZINC3079342","Carbachol","C[N+](C)(C)CCOC(N)=O"
"1801","ZINC000003079364","ZINC3079364","Heptaminol","C[C@@H](N)CCCC(C)(C)O"
"1802","ZINC000003134173","ZINC3134173","Cresotamide","Cc1cccc(C(N)=O)c1O"
"1803","ZINC000003137600","ZINC3137600","P-Hydroxyphenobarbital","CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O"
"1804","ZINC000003201907","ZINC3201907","Dxm","COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3"
"1805","ZINC000003201948","ZINC3201948"," ","C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2"
"1806","ZINC000003201950","ZINC3201950"," ","C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2"
"1807","ZINC000003201958","ZINC3201958"," ","C[C@H](COc1ccccc1)N[C@H](C)[C@H](O)c1ccc(O)cc1"
"1808","ZINC000003202703","ZINC3202703","Cefaloridine","O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12"
"1809","ZINC000003471216","ZINC3471216","N-Desisopropylpropranolol","NC[C@@H](O)COc1cccc2ccccc12"
"1810","ZINC000003581056","ZINC3581056"," ","CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl"
"1811","ZINC000003581355","ZINC3581355","Ile","CC[C@H](C)[C@H](N)C(=O)O"
"1812","ZINC000003589203","ZINC3589203","Acetadote","CC(=O)N[C@@H](CS)C(=O)O"
"1813","ZINC000003590790","ZINC3590790","Lamivudine-Monophosphate","Nc1ccn([C@@H]2CS[C@H](COP(=O)(O)O)O2)c(=O)n1"
"1814","ZINC000003593790","ZINC3593790"," ","N[C@H]1CCCC[C@H]1N"
"1815","ZINC000003594299","ZINC3594299","Debrisoquin","N=C(N)N1CCc2ccccc2C1"
"1816","ZINC000003598263","ZINC3598263","Pidolate","O=C1CC[C@@H](C(=O)O)N1"
"1817","ZINC000003604264","ZINC3604264","Imid3","Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O"
"1818","ZINC000003606265","ZINC3606265","D.l-Methylisocitrate","C[C@](O)(C(=O)O)[C@@H](CC(=O)O)C(=O)O"
"1819","ZINC000003607120","ZINC3607120","Zymar","COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"
"1820","ZINC000003609266","ZINC3609266","Fosfluconazole","O=P(O)(O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F"
"1821","ZINC000003612845","ZINC3612845","2-Phenyl-1,3-Propanediol Monocarbamate","N=C(O)OC[C@H](CO)c1ccccc1"
"1822","ZINC000003612929","ZINC3612929","Boscalid","O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl"
"1823","ZINC000003616630","ZINC3616630","Ifenprodil","C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1"
"1824","ZINC000003629271","ZINC3629271","Emtriva","Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F"
"1825","ZINC000003629718","ZINC3629718","Ethylmorphine","CCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314"
"1826","ZINC000003643419","ZINC3643419","N-Desmethyltramadol","CNC[C@H]1CCCC[C@@]1(O)c1cccc(OC)c1"
"1827","ZINC000003643421","ZINC3643421","N-Desmethyltramadol","CNC[C@@H]1CCCC[C@]1(O)c1cccc(OC)c1"
"1828","ZINC000003643731","ZINC3643731","Triazolopropionic Acid","O=C(O)CCn1nc2ccccn2c1=O"
"1829","ZINC000003643826","ZINC3643826","Methylephedrin","C[C@H]([C@@H](O)c1ccccc1)N(C)C"
"1830","ZINC000003644165","ZINC3644165","Alcar","CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C"
"1831","ZINC000003644762","ZINC3644762","3-O-Methyl-A-Methyldopamine","COc1cc(C[C@H](C)N)ccc1O"
"1832","ZINC000003645145","ZINC3645145","Leu","CC(C)C[C@H](N)C(=O)O"
"1833","ZINC000003651513","ZINC3651513","Methylhydroxygliclazide","O=S(=O)(/N=C(\O)NN1C[C@H]2CCC[C@H]2C1)c1ccc(CO)cc1"
"1834","ZINC000003651514","ZINC3651514","Methylhydroxygliclazide","O=S(=O)(/N=C(\O)NN1C[C@H]2CCC[C@@H]2C1)c1ccc(CO)cc1"
"1835","ZINC000003651516","ZINC3651516","Methylhydroxygliclazide","O=S(=O)(/N=C(\O)NN1C[C@@H]2CCC[C@H]2C1)c1ccc(CO)cc1"
"1836","ZINC000003651680","ZINC3651680","Butabarbital","CC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O"
"1837","ZINC000003774999","ZINC3774999"," ","COCCOC[C@H](CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2"
"1838","ZINC000003775140","ZINC3775140","Cisapride","COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC"
"1839","ZINC000003775641","ZINC3775641","Acriflavine","C[n+]1c2cc(N)ccc2cc2ccc(N)cc21"
"1840","ZINC000003775644","ZINC3775644","Proflavine","Nc1ccc2cc3ccc(N)cc3nc2c1"
"1841","ZINC000003776633","ZINC3776633","Acrivastine","Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1"
"1842","ZINC000003776875","ZINC3776875","Suprane","FC(F)O[C@@H](F)C(F)(F)F"
"1843","ZINC000003776970","ZINC3776970","Cefprozil Anhydrous","C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"
"1844","ZINC000003777423","ZINC3777423","Ligla","CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O"
"1845","ZINC000003777838","ZINC3777838","Cinolazepam","N#CCCN1C(=O)[C@@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc21"
"1846","ZINC000003778441","ZINC3778441"," ","CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21"
"1847","ZINC000003778874","ZINC3778874","Femara","N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1"
"1848","ZINC000003779042","ZINC3779042","Retrovir","Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O"
"1849","ZINC000003779067","ZINC3779067","Berberine","COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2"
"1850","ZINC000003779720","ZINC3779720","Ecabet","CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2"
"1851","ZINC000003779726","ZINC3779726","Pazufloxacin","C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"
"1852","ZINC000003780800","ZINC3780800","Amrubicin","CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O"
"1853","ZINC000003780893","ZINC3780893","Simvastatin","CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"1854","ZINC000003780898","ZINC3780898","Guaimesal","COc1ccccc1O[C@@]1(C)OC(=O)c2ccccc2O1"
"1855","ZINC000003780929","ZINC3780929","Tetrofosmin","CCOCCP(CCOCC)CCP(CCOCC)CCOCC"
"1856","ZINC000003781245","ZINC3781245","Pidotimod","O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)O)N1"
"1857","ZINC000003781664","ZINC3781664","Pramipexole","CCCN[C@H]1CCc2nc(N)sc2C1"
"1858","ZINC000003781738","ZINC3781738","Lestaurtinib","C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O"
"1859","ZINC000003781942","ZINC3781942","Vesnarinone","COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC"
"1860","ZINC000003781943","ZINC3781943","Benazepril","CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O"
"1861","ZINC000003781951","ZINC3781951","Inhibace","CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O"
"1862","ZINC000003781952","ZINC3781952","Ebastine","CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1"
"1863","ZINC000003782183","ZINC3782183","Lorglumide","CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1"
"1864","ZINC000003782550","ZINC3782550","Kerastick","NCC(=O)CCC(=O)O"
"1865","ZINC000003782599","ZINC3782599","Proscar","CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C"
"1866","ZINC000003782807","ZINC3782807","Nedocromil","CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12"
"1867","ZINC000003782818","ZINC3782818","Atacand","CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"1868","ZINC000003782823","ZINC3782823","Artilide","CCCCN(CCCC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1"
"1869","ZINC000003783800","ZINC3783800","Eberconazole","Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@H]2n1ccnc1"
"1870","ZINC000003784120","ZINC3784120","Iloprost","CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O"
"1871","ZINC000003784182","ZINC3784182","Differin","COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2"
"1872","ZINC000003784384","ZINC3784384","Cinitapride","CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CC=CCC2)CC1"
"1873","ZINC000003784427","ZINC3784427","Imidapril","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O"
"1874","ZINC000003784432","ZINC3784432","Trandolaprilat","C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21"
"1875","ZINC000003785268","ZINC3785268","Salmeterol","OCc1cc([C@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O"
"1876","ZINC000003785276","ZINC3785276","Epa-E","CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC"
"1877","ZINC000003786192","ZINC3786192","Sulindac","CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1"
"1878","ZINC000003786299","ZINC3786299","Fleroxacin","CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1"
"1879","ZINC000003786466","ZINC3786466","Pergolide","CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"
"1880","ZINC000003787060","ZINC3787060","Tazobactam","C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O"
"1881","ZINC000003787097","ZINC3787097","Besifloxacin","N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1"
"1882","ZINC000003788703","ZINC3788703","Voglibose","OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O"
"1883","ZINC000003789437","ZINC3789437","Lorglumide","CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1"
"1884","ZINC000003789853","ZINC3789853","Desmethyl Frovatriptan","NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](N)CC3"
"1885","ZINC000003791297","ZINC3791297","Enalapril","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O"
"1886","ZINC000003791775","ZINC3791775","Tenatoprazole","COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2n1"
"1887","ZINC000003792328","ZINC3792328","Oxiracetam","NC(=O)CN1C[C@@H](O)CC1=O"
"1888","ZINC000003792417","ZINC3792417","Sacubitril","CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O"
"1889","ZINC000003792789","ZINC3792789","Isotretinoin","CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1"
"1890","ZINC000003794601","ZINC3794601","Citalopram","CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"1891","ZINC000003794622","ZINC3794622","Nadifloxacin","C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23"
"1892","ZINC000003794711","ZINC3794711","Zavesca","CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"
"1893","ZINC000003794714","ZINC3794714","S-Gi","OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"
"1894","ZINC000003794794","ZINC3794794","Mitoxantrone","O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21"
"1895","ZINC000003795098","ZINC3795098","Arac","Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1"
"1896","ZINC000003795819","ZINC3795819","Palonosetron","O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2"
"1897","ZINC000003797541","ZINC3797541","Zytiga","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1"
"1898","ZINC000003798064","ZINC3798064"," ","Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1"
"1899","ZINC000003798074","ZINC3798074","Acadesine","NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N"
"1900","ZINC000003798247","ZINC3798247","Clolar","Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F"
"1901","ZINC000003798537","ZINC3798537","Prandin","CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O"
"1902","ZINC000003798603","ZINC3798603"," ","O[C@@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"
"1903","ZINC000003798720","ZINC3798720","Sarpogrelate","COc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)O)c1"
"1904","ZINC000003798734","ZINC3798734","Acetretin","COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C"
"1905","ZINC000003798745","ZINC3798745","Dopexamine","Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O"
"1906","ZINC000003798750","ZINC3798750","Sabril","C=C[C@@H](N)CCC(=O)O"
"1907","ZINC000003798757","ZINC3798757","Altace","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21"
"1908","ZINC000003798763","ZINC3798763","Pravastatin","CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"
"1909","ZINC000003799012","ZINC3799012","Flutrimazole","Fc1ccc([C@](c2ccccc2)(c2ccccc2F)n2ccnc2)cc1"
"1910","ZINC000003799072","ZINC3799072","Salmeterol","OCc1cc([C@@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O"
"1911","ZINC000003799319","ZINC3799319","Mn-305","c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2"
"1912","ZINC000003800008","ZINC3800008","Dostinex","C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"
"1913","ZINC000003800475","ZINC3800475","Treprostinil","CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O"
"1914","ZINC000003800706","ZINC3800706","Citalopram","CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"1915","ZINC000003801163","ZINC3801163","Quinapril","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O"
"1916","ZINC000003801919","ZINC3801919","Alendronate","NCCCC(O)(P(=O)(O)O)P(=O)(O)O"
"1917","ZINC000003802189","ZINC3802189","Linolenate","CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O"
"1918","ZINC000003802417","ZINC3802417","Entereg","C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1"
"1919","ZINC000003802690","ZINC3802690","Baraclude","C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO"
"1920","ZINC000003803377","ZINC3803377","Cinalukast","CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O"
"1921","ZINC000003803652","ZINC3803652","Zoledronate","O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O"
"1922","ZINC000003805768","ZINC3805768","Ivabradine","COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2"
"1923","ZINC000003805798","ZINC3805798","Aceclofenac","O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl"
"1924","ZINC000003806063","ZINC3806063","Rapaflo","C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F"
"1925","ZINC000003806104","ZINC3806104","Tirofiban","CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O"
"1926","ZINC000003806262","ZINC3806262"," ","OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O"
"1927","ZINC000003806413","ZINC3806413","R340","CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F"
"1928","ZINC000003806721","ZINC3806721","Codeine","COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314"
"1929","ZINC000003807172","ZINC3807172","Argatroban","C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1"
"1930","ZINC000003807804","ZINC3807804","Mycelex","Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1"
"1931","ZINC000003807917","ZINC3807917","Astenile","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O"
"1932","ZINC000003808779","ZINC3808779","Meropenem","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12"
"1933","ZINC000003809191","ZINC3809191","Abiraterone","CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1"
"1934","ZINC000003809192","ZINC3809192","Amp","CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1"
"1935","ZINC000003809490","ZINC3809490","Taurine","NCCS(=O)(=O)O"
"1936","ZINC000003810860","ZINC3810860","Zetia","O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1"
"1937","ZINC000003812306","ZINC3812306","Moexipril","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O"
"1938","ZINC000003812841","ZINC3812841","Mevacor","CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"1939","ZINC000003812842","ZINC3812842","Diacerein","CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O"
"1940","ZINC000003812851","ZINC3812851","Enalaprilat","C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O"
"1941","ZINC000003812862","ZINC3812862","Pamidronate","NCCC(O)(P(=O)(O)O)P(=O)(O)O"
"1942","ZINC000003812863","ZINC3812863","Lisinopril","NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O"
"1943","ZINC000003812865","ZINC3812865","Olsalazine","O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O"
"1944","ZINC000003812867","ZINC3812867","Perindopril","CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC"
"1945","ZINC000003812869","ZINC3812869","Cefaclor","N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1"
"1946","ZINC000003812874","ZINC3812874","Piracetam","NC(=O)CN1CCCC1=O"
"1947","ZINC000003812887","ZINC3812887","Mizoribine","NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O"
"1948","ZINC000003812888","ZINC3812888","Verapamil","COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"
"1949","ZINC000003812889","ZINC3812889","Tibolone","C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C"
"1950","ZINC000003812892","ZINC3812892","Ternadin","CC(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"
"1951","ZINC000003812897","ZINC3812897","Primogyn","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C"
"1952","ZINC000003812908","ZINC3812908","Roxatidine","CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1"
"1953","ZINC000003812911","ZINC3812911","Nipradilol","CC(C)NC[C@@H](O)COc1cccc2c1OC[C@@H](O[N+](=O)[O-])C2"
"1954","ZINC000003812913","ZINC3812913","Apl-202","CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC"
"1955","ZINC000003812918","ZINC3812918","Bepridil","CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1"
"1956","ZINC000003812923","ZINC3812923","Amsacrine","COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12"
"1957","ZINC000003812925","ZINC3812925","Tiropramide","CCCN(CCC)C(=O)[C@H](Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1"
"1958","ZINC000003812930","ZINC3812930","Piretanide","NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1"
"1959","ZINC000003812933","ZINC3812933","Memantine","C[C@@]12CC3CC(N)(C1)C[C@](C)(C3)C2"
"1960","ZINC000003812944","ZINC3812944","Flutamide","CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"
"1961","ZINC000003812946","ZINC3812946","Clinofibrate","CC[C@@](C)(Oc1ccc(C2(c3ccc(O[C@](C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O"
"1962","ZINC000003812958","ZINC3812958","Bay H 4502","c1ccc(-c2ccc([C@H](c3ccccc3)n3ccnc3)cc2)cc1"
"1963","ZINC000003812960","ZINC3812960","Forane","FC(F)O[C@@H](Cl)C(F)(F)F"
"1964","ZINC000003812964","ZINC3812964"," ","FC(F)OC(F)(F)[C@@H](F)Cl"
"1965","ZINC000003812974","ZINC3812974","Corgard","CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2"
"1966","ZINC000003812983","ZINC3812983","Morphine","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"
"1967","ZINC000003812984","ZINC3812984","Levorphanol","CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13"
"1968","ZINC000003812988","ZINC3812988","Butorfanol","Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3"
"1969","ZINC000003812989","ZINC3812989","Nalbuphine","Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314"
"1970","ZINC000003812994","ZINC3812994","Flunitrazepam","CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21"
"1971","ZINC000003813003","ZINC3813003","Klonopin","O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1"
"1972","ZINC000003813010","ZINC3813010","Fluorodeoxyuridine","O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F"
"1973","ZINC000003813024","ZINC3813024","Pipothiazine","CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2"
"1974","ZINC000003813042","ZINC3813042","Acetazolamide","CC(=O)Nc1nnc(S(N)(=O)=O)s1"
"1975","ZINC000003813047","ZINC3813047","Oxandrolone","C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"
"1976","ZINC000003813061","ZINC3813061","Bumetanide","CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1"
"1977","ZINC000003813069","ZINC3813069","Celiprolol","CCN(CC)C(=O)Nc1ccc(OC[C@H](O)CNC(C)(C)C)c(C(C)=O)c1"
"1978","ZINC000003813078","ZINC3813078","Epoprostenol","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21"
"1979","ZINC000003813082","ZINC3813082","Pipenzolate","CC[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"
"1980","ZINC000003813083","ZINC3813083","Cantil","C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1"
"1981","ZINC000003813087","ZINC3813087","Mebeverine","CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H](C)Cc1ccc(OC)cc1"
"1982","ZINC000003813088","ZINC3813088","Edex","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O"
"1983","ZINC000003814184","ZINC3814184","Benazeprilat","O=C(O)CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)O)CCc2ccccc21"
"1984","ZINC000003814360","ZINC3814360","Dht","C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"1985","ZINC000003814379","ZINC3814379"," ","C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O"
"1986","ZINC000003814395","ZINC3814395"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"1987","ZINC000003814410","ZINC3814410"," ","C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"
"1988","ZINC000003814422","ZINC3814422","Android","C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"1989","ZINC000003814423","ZINC3814423","Cyproterone","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"1990","ZINC000003814784","ZINC3814784"," ","CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1"
"1991","ZINC000003815418","ZINC3815418","Oekolp","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"
"1992","ZINC000003815424","ZINC3815424","Mestranol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C"
"1993","ZINC000003816287","ZINC3816287","Axitinib","CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1"
"1994","ZINC000003816292","ZINC3816292","Lenvatinib","COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O"
"1995","ZINC000003816514","ZINC3816514","Rolapitant","C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"1996","ZINC000003817152","ZINC3817152","Sorafenib N-Oxide","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n+]1[O-]"
"1997","ZINC000003817234","ZINC3817234","Celsentri","Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"
"1998","ZINC000003818726","ZINC3818726","Belinostat","O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO"
"1999","ZINC000003818808","ZINC3818808","Tofacitinib","C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12"
"2000","ZINC000003819138","ZINC3819138","Dapagliflozin","CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1"
"2001","ZINC000003819392","ZINC3819392","Riociguat","COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N"
"2002","ZINC000003820029","ZINC3820029","Trajenta","CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"
"2003","ZINC000003821234","ZINC3821234"," ","O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1"
"2004","ZINC000003821675","ZINC3821675","Pa824","O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2"
"2005","ZINC000003822702","ZINC3822702","Bilastine","CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21"
"2006","ZINC000003823475","ZINC3823475","Eletriptan","CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"
"2007","ZINC000003823492","ZINC3823492","Arranon","COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"
"2008","ZINC000003824065","ZINC3824065","Erdosteine","O=C(O)CSCC(=O)N[C@H]1CCSC1=O"
"2009","ZINC000003824921","ZINC3824921","Fexofenadine","CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"
"2010","ZINC000003826253","ZINC3826253","Moxifloxacin","COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"
"2011","ZINC000003827556","ZINC3827556","Delafloxacin","Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F"
"2012","ZINC000003830195","ZINC3830195","Betaprodine","CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@@H]1C"
"2013","ZINC000003830206","ZINC3830206","Mecillinam","CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O"
"2014","ZINC000003830212","ZINC3830212","Amiodarone","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1"
"2015","ZINC000003830215","ZINC3830215","Amoxicillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O"
"2016","ZINC000003830218","ZINC3830218","Ampicillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2017","ZINC000003830220","ZINC3830220","Ipn","CC(C)CCON=O"
"2018","ZINC000003830261","ZINC3830261","Azlocillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2019","ZINC000003830264","ZINC3830264","Azt","C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O"
"2020","ZINC000003830273","ZINC3830273","Benserazide","N[C@H](CO)C(=O)NNCc1ccc(O)c(O)c1O"
"2021","ZINC000003830274","ZINC3830274","Benserazide","N[C@@H](CO)C(=O)NNCc1ccc(O)c(O)c1O"
"2022","ZINC000003830276","ZINC3830276","Tessalon","CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1"
"2023","ZINC000003830280","ZINC3830280","Benzquinamide","CCN(CC)C(=O)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O"
"2024","ZINC000003830283","ZINC3830283","Bepridil","CC(C)COC[C@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1"
"2025","ZINC000003830314","ZINC3830314","Btc","C[C@H](C[N+](C)(C)C)OC(N)=O"
"2026","ZINC000003830321","ZINC3830321","Bisacodyl","CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1"
"2027","ZINC000003830339","ZINC3830339","Bunolol","CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O"
"2028","ZINC000003830347","ZINC3830347","Butalbital","C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O"
"2029","ZINC000003830375","ZINC3830375","Carbetapentane","CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1"
"2030","ZINC000003830381","ZINC3830381"," ","CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O"
"2031","ZINC000003830387","ZINC3830387","Bcnu","O=NN(CCCl)C(=O)NCCCl"
"2032","ZINC000003830390","ZINC3830390"," ","N[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1"
"2033","ZINC000003830391","ZINC3830391","Cefadroxil","CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"
"2034","ZINC000003830393","ZINC3830393"," ","CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"
"2035","ZINC000003830394","ZINC3830394","Cefamandole","Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1"
"2036","ZINC000003830405","ZINC3830405","Cefazolin","Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1"
"2037","ZINC000003830413","ZINC3830413","Cefmenoxime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1"
"2038","ZINC000003830417","ZINC3830417","Cefmetazole","CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21"
"2039","ZINC000003830421","ZINC3830421","Cefodizime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1"
"2040","ZINC000003830427","ZINC3830427"," ","O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@@H](O)c3ccccc3)C(=O)N12"
"2041","ZINC000003830428","ZINC3830428","Cefonicid","O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12"
"2042","ZINC000003830431","ZINC3830431"," ","CCN1CCN(C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O"
"2043","ZINC000003830432","ZINC3830432","Cefoperazone","CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O"
"2044","ZINC000003830434","ZINC3830434","Ceforanide","NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12"
"2045","ZINC000003830441","ZINC3830441","Cefotetan","CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21"
"2046","ZINC000003830442","ZINC3830442"," ","CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]21"
"2047","ZINC000003830445","ZINC3830445","Cefotiam","CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1"
"2048","ZINC000003830449","ZINC3830449","Cefoxitin","CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21"
"2049","ZINC000003830453","ZINC3830453","Vantin","COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1"
"2050","ZINC000003830477","ZINC3830477","Ceftizoxime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1"
"2051","ZINC000003830496","ZINC3830496","Cephacetrile","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1"
"2052","ZINC000003830500","ZINC3830500","Cephalexin","CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1"
"2053","ZINC000003830503","ZINC3830503","Cephaloglycin","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1"
"2054","ZINC000003830507","ZINC3830507","Cephalothin","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1"
"2055","ZINC000003830511","ZINC3830511","Cephapirin","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1"
"2056","ZINC000003830515","ZINC3830515","Cefradine","CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1"
"2057","ZINC000003830564","ZINC3830564","Cisapride","COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC"
"2058","ZINC000003830569","ZINC3830569","Clavulanate","O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21"
"2059","ZINC000003830574","ZINC3830574"," ","CN1CCC[C@@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1"
"2060","ZINC000003830579","ZINC3830579","Clidinium","C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2"
"2061","ZINC000003830609","ZINC3830609","Ciclacillin","CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O"
"2062","ZINC000003830611","ZINC3830611"," ","C[C@@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1"
"2063","ZINC000003830612","ZINC3830612"," ","C[C@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)C1"
"2064","ZINC000003830635","ZINC3830635","Dfo","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN"
"2065","ZINC000003830683","ZINC3830683","Dezocine","C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N"
"2066","ZINC000003830689","ZINC3830689","Dichloroacetic Acid","O=C(O)C(Cl)Cl"
"2067","ZINC000003830706","ZINC3830706","Diminazene","N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1"
"2068","ZINC000003830709","ZINC3830709","Dinoprost","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O"
"2069","ZINC000003830713","ZINC3830713","Pge2","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O"
"2070","ZINC000003830716","ZINC3830716","Diphenoxylate","CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1"
"2071","ZINC000003830727","ZINC3830727"," ","C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O"
"2072","ZINC000003830747","ZINC3830747","Emetine","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21"
"2073","ZINC000003830790","ZINC3830790","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C"
"2074","ZINC000003830792","ZINC3830792","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C"
"2075","ZINC000003830813","ZINC3830813","Etidronate","CC(O)(P(=O)(O)O)P(=O)(O)O"
"2076","ZINC000003830820","ZINC3830820","Etretinate","CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C"
"2077","ZINC000003830842","ZINC3830842","Flecainide","O=C(NC[C@@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F"
"2078","ZINC000003830847","ZINC3830847","Flubendazole","COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1"
"2079","ZINC000003830865","ZINC3830865","Fonazine","C[C@@H](CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C"
"2080","ZINC000003830866","ZINC3830866","Fonazine","C[C@H](CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C"
"2081","ZINC000003830882","ZINC3830882","Gallamine","CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC"
"2082","ZINC000003830891","ZINC3830891","Glutathione","N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O"
"2083","ZINC000003830895","ZINC3830895","Glycerophosphoric Acid","O=P(O)(O)OC[C@@H](O)CO"
"2084","ZINC000003830896","ZINC3830896","Sn-Gro-1-P","O=P(O)(O)OC[C@H](O)CO"
"2085","ZINC000003830897","ZINC3830897","Glycerol-2-Phosphate","O=P(O)(O)OC(CO)CO"
"2086","ZINC000003830910","ZINC3830910","Hexobarbital","CN1C(=O)NC(=O)[C@](C)(C2=CCCCC2)C1=O"
"2087","ZINC000003830916","ZINC3830916","Hycanthone","CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12"
"2088","ZINC000003830931","ZINC3830931","Iocetamic Acid","CC(=O)N(C[C@H](C)C(=O)O)c1c(I)cc(I)c(N)c1I"
"2089","ZINC000003830932","ZINC3830932","Iocetamic Acid","CC(=O)N(C[C@@H](C)C(=O)O)c1c(I)cc(I)c(N)c1I"
"2090","ZINC000003830933","ZINC3830933","Iodamide","CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I"
"2091","ZINC000003830938","ZINC3830938"," ","C[C@H](I)[C@@H]1OC[C@H](CO)O1"
"2092","ZINC000003830940","ZINC3830940"," ","C[C@H](I)[C@H]1OC[C@H](CO)O1"
"2093","ZINC000003830942","ZINC3830942","Iodoquinol","Oc1c(I)cc(I)c2cccnc12"
"2094","ZINC000003830943","ZINC3830943"," ","CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"2095","ZINC000003830944","ZINC3830944"," ","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"2096","ZINC000003830945","ZINC3830945","Iohexol","CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"2097","ZINC000003830946","ZINC3830946","Iohexol","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"2098","ZINC000003830947","ZINC3830947","Isovue-M","C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I"
"2099","ZINC000003830949","ZINC3830949","Iopanoic Acid","CC[C@@H](Cc1c(I)cc(I)c(N)c1I)C(=O)O"
"2100","ZINC000003830950","ZINC3830950","Iopanoic Acid","CC[C@H](Cc1c(I)cc(I)c(N)c1I)C(=O)O"
"2101","ZINC000003830953","ZINC3830953"," ","CCOC(=O)CCCCCCCC[C@@H](C)c1ccccc1I"
"2102","ZINC000003830954","ZINC3830954"," ","CCOC(=O)CCCCCCCC[C@H](C)c1ccccc1I"
"2103","ZINC000003830955","ZINC3830955","Iofendylate","CCOC(=O)CCCCCCCC[C@@H](C)c1ccc(I)cc1"
"2104","ZINC000003830956","ZINC3830956","Iofendylate","CCOC(=O)CCCCCCCC[C@H](C)c1ccc(I)cc1"
"2105","ZINC000003830957","ZINC3830957","Iopromide","COCC(=O)Nc1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)N(C)C[C@H](O)CO)c1I"
"2106","ZINC000003830958","ZINC3830958","Iopromide","COCC(=O)Nc1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I"
"2107","ZINC000003830959","ZINC3830959","Iopromide","COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@H](O)CO)c1I"
"2108","ZINC000003830960","ZINC3830960","Iopromide","COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I"
"2109","ZINC000003830961","ZINC3830961","Iotalamic Acid","CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I"
"2110","ZINC000003830962","ZINC3830962","Ipodate","CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I"
"2111","ZINC000003830970","ZINC3830970"," ","C[C@H](N[C@H](C)COc1ccccc1)[C@H](O)c1ccc(O)cc1"
"2112","ZINC000003830986","ZINC3830986","Lansoprazole","Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2[nH]1"
"2113","ZINC000003830990","ZINC3830990","Keppra","CC[C@H](C(N)=O)N1CCCC1=O"
"2114","ZINC000003830993","ZINC3830993","Thyroxine","N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"
"2115","ZINC000003830994","ZINC3830994","Thyroxine","N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O"
"2116","ZINC000003830999","ZINC3830999","Liothyronine","N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O"
"2117","ZINC000003831001","ZINC3831001","Lisuride","CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"
"2118","ZINC000003831004","ZINC3831004"," ","CN1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1"
"2119","ZINC000003831006","ZINC3831006","Ccnu","O=NN(CCCl)C(=O)NC1CCCCC1"
"2120","ZINC000003831012","ZINC3831012","Lucanthone","CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12"
"2121","ZINC000003831024","ZINC3831024","Mebeverine","CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1"
"2122","ZINC000003831040","ZINC3831040","Com","O=S(=O)(O)CCS"
"2123","ZINC000003831041","ZINC3831041","Mesoridazine","CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21"
"2124","ZINC000003831042","ZINC3831042","Mesoridazine","CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc([S@](C)=O)cc21"
"2125","ZINC000003831050","ZINC3831050","Methacholine","CC(=O)O[C@@H](C)C[N+](C)(C)C"
"2126","ZINC000003831051","ZINC3831051","Methacholine","CC(=O)O[C@H](C)C[N+](C)(C)C"
"2127","ZINC000003831070","ZINC3831070","Methicillin","COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2128","ZINC000003831106","ZINC3831106","Methyprylon","CCC1(CC)C(=O)NC[C@@H](C)C1=O"
"2129","ZINC000003831107","ZINC3831107","Methyprylon","CCC1(CC)C(=O)NC[C@H](C)C1=O"
"2130","ZINC000003831116","ZINC3831116","Metrizoic Acid","CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I"
"2131","ZINC000003831120","ZINC3831120","Mezlocillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2132","ZINC000003831128","ZINC3831128"," ","CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"
"2133","ZINC000003831138","ZINC3831138","Apl-202","CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC"
"2134","ZINC000003831139","ZINC3831139","Modafinil","NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1"
"2135","ZINC000003831151","ZINC3831151","Montelukast","CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1"
"2136","ZINC000003831157","ZINC3831157","Moxalactam","CO[C@@]1(NC(=O)[C@H](C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21"
"2137","ZINC000003831165","ZINC3831165","Corgard","CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2"
"2138","ZINC000003831171","ZINC3831171","Nafronyl","CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1"
"2139","ZINC000003831172","ZINC3831172","Nafronyl","CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@@H]1CCCO1"
"2140","ZINC000003831173","ZINC3831173","Nafronyl","CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc12)C[C@H]1CCCO1"
"2141","ZINC000003831174","ZINC3831174","Nafronyl","CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc12)C[C@H]1CCCO1"
"2142","ZINC000003831231","ZINC3831231"," ","CO[C@H]1[C@@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"
"2143","ZINC000003831236","ZINC3831236"," ","C[C@H](N[C@H](C)CCc1ccccc1)[C@H](O)c1ccc(O)cc1"
"2144","ZINC000003831238","ZINC3831238"," ","C[C@H](CCc1ccccc1)N[C@H](C)[C@H](O)c1ccc(O)cc1"
"2145","ZINC000003831282","ZINC3831282","Bicillin V2","CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2146","ZINC000003831317","ZINC3831317","Correctol","O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21"
"2147","ZINC000003831329","ZINC3831329","K-Ject","CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O"
"2148","ZINC000003831330","ZINC3831330","K-Ject","CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O"
"2149","ZINC000003831331","ZINC3831331","K-Ject","CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O"
"2150","ZINC000003831332","ZINC3831332","K-Ject","CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O"
"2151","ZINC000003831352","ZINC3831352","Dexpramipexole","CCCN[C@@H]1CCc2nc(N)sc2C1"
"2152","ZINC000003831354","ZINC3831354","Pranoprofen","C[C@@H](C(=O)O)c1ccc2c(c1)Cc1cccnc1O2"
"2153","ZINC000003831392","ZINC3831392","Propyliodone","CCCOC(=O)Cn1cc(I)c(=O)c(I)c1"
"2154","ZINC000003831401","ZINC3831401","Pyrvinium","Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1"
"2155","ZINC000003831403","ZINC3831403","Quinidine Barbiturate","C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"2156","ZINC000003831404","ZINC3831404","Quinine","C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12"
"2157","ZINC000003831405","ZINC3831405","Quinidine","C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"2158","ZINC000003831417","ZINC3831417","Retinol","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1"
"2159","ZINC000003831425","ZINC3831425","Fmn","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C"
"2160","ZINC000003831429","ZINC3831429","Rimantadine","C[C@H](N)C12CC3CC(CC(C3)C1)C2"
"2161","ZINC000003831430","ZINC3831430","Rimantadine","C[C@@H](N)C12CC3CC(CC(C3)C1)C2"
"2162","ZINC000003831462","ZINC3831462","Sofalcone","CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1"
"2163","ZINC000003831474","ZINC3831474","Dmsa","O=C(O)[C@@H](S)[C@H](S)C(=O)O"
"2164","ZINC000003831475","ZINC3831475","Dmsa","O=C(O)[C@H](S)[C@H](S)C(=O)O"
"2165","ZINC000003831477","ZINC3831477","Dmsa","O=C(O)[C@H](S)[C@@H](S)C(=O)O"
"2166","ZINC000003831490","ZINC3831490","Azulfidine","O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O"
"2167","ZINC000003831511","ZINC3831511","Ternadin","CC(C)(C)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"
"2168","ZINC000003831531","ZINC3831531","Tiagabine","Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C"
"2169","ZINC000003831540","ZINC3831540","Ticarcillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O"
"2170","ZINC000003831551","ZINC3831551","Tiopronin","C[C@@H](S)C(=O)NCC(=O)O"
"2171","ZINC000003831552","ZINC3831552","Tofisopam","CC[C@@H]1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21"
"2172","ZINC000003831578","ZINC3831578","Trimebutine","CC[C@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C"
"2173","ZINC000003831581","ZINC3831581","Trimethaphan","O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1"
"2174","ZINC000003831582","ZINC3831582","Trimethaphan","O=C1N(Cc2ccccc2)[C@H]2C[S@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1"
"2175","ZINC000003831583","ZINC3831583","Trimethaphan","O=C1N(Cc2ccccc2)[C@@H]2C[S@@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1"
"2176","ZINC000003831584","ZINC3831584","Trimethaphan","O=C1N(Cc2ccccc2)[C@H]2C[S@@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1"
"2177","ZINC000003831586","ZINC3831586","Trimipramine","C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21"
"2178","ZINC000003831594","ZINC3831594","Tyropanoic Acid","CCCC(=O)Nc1c(I)cc(I)c(C[C@@H](CC)C(=O)O)c1I"
"2179","ZINC000003831595","ZINC3831595","Tyropanoic Acid","CCCC(=O)Nc1c(I)cc(I)c(C[C@H](CC)C(=O)O)c1I"
"2180","ZINC000003832372","ZINC3832372","Zd1694","Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1"
"2181","ZINC000003833800","ZINC3833800","Vadex","OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O"
"2182","ZINC000003833821","ZINC3833821","Prdl","C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"2183","ZINC000003833824","ZINC3833824","Aldocorten","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12"
"2184","ZINC000003833846","ZINC3833846","Nelfinavir","Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C"
"2185","ZINC000003833876","ZINC3833876","Mevastatin","CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"2186","ZINC000003833877","ZINC3833877","Tenivastatin","CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21"
"2187","ZINC000003833880","ZINC3833880"," ","CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H](O)C[C@@H](O)CC(=O)O"
"2188","ZINC000003834173","ZINC3834173","Id2","O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I"
"2189","ZINC000003842753","ZINC3842753","Viroptic","O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F"
"2190","ZINC000003842872","ZINC3842872","Fimasartan","CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"2191","ZINC000003843198","ZINC3843198","Uridine Triacetate","CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O"
"2192","ZINC000003843378","ZINC3843378","Tecfidera","COC(=O)/C=C/C(=O)OC"
"2193","ZINC000003860151","ZINC3860151","Glcnac","CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O"
"2194","ZINC000003860152","ZINC3860152","Citiolone","CC(=O)N[C@@H]1CCSC1=O"
"2195","ZINC000003860153","ZINC3860153","Citiolone","CC(=O)N[C@H]1CCSC1=O"
"2196","ZINC000003860156","ZINC3860156","Amp","Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"
"2197","ZINC000003860188","ZINC3860188","6-Aminopenicillanic Acid","CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O"
"2198","ZINC000003860369","ZINC3860369","Altan","O=C1c2cccc(O)c2C(=O)c2c(O)cccc21"
"2199","ZINC000003860441","ZINC3860441","Esculin","O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1"
"2200","ZINC000003860453","ZINC3860453","Ak-Fluor","O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21"
"2201","ZINC000003860468","ZINC3860468","Cosamin","N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O"
"2202","ZINC000003860469","ZINC3860469","Glucosamine","N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O"
"2203","ZINC000003860825","ZINC3860825","Yohimbine","COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21"
"2204","ZINC000003860857","ZINC3860857","Hexafluoroisopropanol","OC(C(F)(F)F)C(F)(F)F"
"2205","ZINC000003860865","ZINC3860865","Chloralose","OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O"
"2206","ZINC000003860869","ZINC3860869","Dehydrocholic Acid","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C"
"2207","ZINC000003860897","ZINC3860897","Hexylene Glycol","C[C@@H](O)CC(C)(C)O"
"2208","ZINC000003861133","ZINC3861133"," ","COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43"
"2209","ZINC000003861134","ZINC3861134"," ","COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43"
"2210","ZINC000003861150","ZINC3861150","Pregnenolone","CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2211","ZINC000003861209","ZINC3861209"," ","O=C(O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O"
"2212","ZINC000003861213","ZINC3861213","Cerelose","OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O"
"2213","ZINC000003861492","ZINC3861492","Pyrithyldione","CCC1(CC)C(=O)C=CNC1=O"
"2214","ZINC000003861538","ZINC3861538","Perillol","C=C(C)[C@@H]1CC=C(CO)CC1"
"2215","ZINC000003861599","ZINC3861599","Aldactone","CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21"
"2216","ZINC000003861742","ZINC3861742","Bucladesine","CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1OC(=O)CCC"
"2217","ZINC000003861768","ZINC3861768"," ","Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1"
"2218","ZINC000003861770","ZINC3861770","Creatine","CN(CC(=O)O)C(=N)N"
"2219","ZINC000003861806","ZINC3861806","Podofilox","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"
"2220","ZINC000003869280","ZINC3869280","P-Serine","N[C@@H](COP(=O)(O)O)C(=O)O"
"2221","ZINC000003869576","ZINC3869576","Norcotinine","O=C1CC[C@@H](c2cccnc2)N1"
"2222","ZINC000003869580","ZINC3869580","Hydroxycotinine","CN1C(=O)[C@@H](O)C[C@H]1c1cccnc1"
"2223","ZINC000003869608","ZINC3869608","6'-Deoxychalcone","O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O"
"2224","ZINC000003869640","ZINC3869640","Hydroxybupropion","C[C@@H](NC(C)(C)CO)C(=O)c1cccc(Cl)c1"
"2225","ZINC000003869657","ZINC3869657","Mablin","NC(N)=NCCC[C@@H](NC(=O)CCC(=O)O)C(=O)O"
"2226","ZINC000003869685","ZINC3869685","Meletin","O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"
"2227","ZINC000003869726","ZINC3869726","D.l-Methylisocitrate","C[C@@](O)(C(=O)O)[C@@H](CC(=O)O)C(=O)O"
"2228","ZINC000003869728","ZINC3869728","D.l-Methylisocitrate","C[C@@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O"
"2229","ZINC000003869774","ZINC3869774"," ","CN(CC(=O)O)/C(N)=N/P(=O)(O)O"
"2230","ZINC000003869855","ZINC3869855","Dicumarol","O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O"
"2231","ZINC000003870129","ZINC3870129","Oxiglutatione","N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O"
"2232","ZINC000003870472","ZINC3870472","Imr","OC[C@@H]1NC[C@H](O)[C@@H]1O"
"2233","ZINC000003870514","ZINC3870514","S-Gi","OC[C@@H]1NC[C@H](O)[C@@H](O)[C@@H]1O"
"2234","ZINC000003870515","ZINC3870515","S-Gi","OC[C@@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O"
"2235","ZINC000003871017","ZINC3871017"," ","C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CC[C@@H]2O"
"2236","ZINC000003871356","ZINC3871356"," ","Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@H](CO)C3)c2n1"
"2237","ZINC000003871541","ZINC3871541","Anagrelide","O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1"
"2238","ZINC000003871576","ZINC3871576","Apigenin","O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12"
"2239","ZINC000003871698","ZINC3871698","Benzthiazide","NS(=O)(=O)c1cc2c(cc1Cl)NC(CSCc1ccccc1)=NS2(=O)=O"
"2240","ZINC000003871701","ZINC3871701","Pfizerpen","CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2241","ZINC000003871703","ZINC3871703","Bepreve","O=C(O)CCCN1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1"
"2242","ZINC000003871723","ZINC3871723","Bay H 4502","c1ccc(-c2ccc([C@@H](c3ccccc3)n3ccnc3)cc2)cc1"
"2243","ZINC000003871797","ZINC3871797","Bufexamac","CCCCOc1ccc(CC(=O)NO)cc1"
"2244","ZINC000003871832","ZINC3871832","Verapamil","COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"
"2245","ZINC000003871880","ZINC3871880","Carbenicillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2246","ZINC000003871889","ZINC3871889","Carindacillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2247","ZINC000003871891","ZINC3871891","Carnosol","CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O"
"2248","ZINC000003871923","ZINC3871923","Cefepime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1"
"2249","ZINC000003871927","ZINC3871927"," ","CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1"
"2250","ZINC000003871946","ZINC3871946","Cefozopran","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1"
"2251","ZINC000003871960","ZINC3871960","Ceftazidime","CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O"
"2252","ZINC000003871967","ZINC3871967","Cedax","Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1"
"2253","ZINC000003871978","ZINC3871978","Cefuroxime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1"
"2254","ZINC000003871994","ZINC3871994"," ","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@H]2SC1"
"2255","ZINC000003871995","ZINC3871995"," ","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@@H]2SC1"
"2256","ZINC000003872049","ZINC3872049","Chloral Hydrate","OC(O)C(Cl)(Cl)Cl"
"2257","ZINC000003872055","ZINC3872055","Chlorothiazide","NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O"
"2258","ZINC000003872097","ZINC3872097","Clinofibrate","CC[C@](C)(Oc1ccc(C2(c3ccc(O[C@@](C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O"
"2259","ZINC000003872098","ZINC3872098","Clinofibrate","CC[C@](C)(Oc1ccc(C2(c3ccc(O[C@](C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O"
"2260","ZINC000003872177","ZINC3872177","Cypermethrin","CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1"
"2261","ZINC000003872178","ZINC3872178","Cypermethrin","CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1"
"2262","ZINC000003872277","ZINC3872277","Diazoxide","CC1=NS(=O)(=O)c2cc(Cl)ccc2N1"
"2263","ZINC000003872317","ZINC3872317","Dipivefrin","CNC[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1"
"2264","ZINC000003872446","ZINC3872446","Llagate","O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23"
"2265","ZINC000003872449","ZINC3872449"," ","FC(F)OC(F)(F)[C@H](F)Cl"
"2266","ZINC000003872491","ZINC3872491"," ","C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O"
"2267","ZINC000003872492","ZINC3872492"," ","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O"
"2268","ZINC000003872493","ZINC3872493"," ","C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O"
"2269","ZINC000003872494","ZINC3872494"," ","C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O"
"2270","ZINC000003872520","ZINC3872520","Trecator","CCc1cc(C(N)=S)ccn1"
"2271","ZINC000003872566","ZINC3872566","Fexofenadine","CC(C)(C(=O)O)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1"
"2272","ZINC000003872582","ZINC3872582","Fluorescein","O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12"
"2273","ZINC000003872602","ZINC3872602","Flutrimazole","Fc1ccc([C@@](c2ccccc2)(c2ccccc2F)n2ccnc2)cc1"
"2274","ZINC000003872605","ZINC3872605","Fluvoxamine","COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1"
"2275","ZINC000003872687","ZINC3872687","Glafenine","O=C(OC[C@@H](O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12"
"2276","ZINC000003872738","ZINC3872738","Guanfacine","NC(N)=NC(=O)Cc1c(Cl)cccc1Cl"
"2277","ZINC000003872805","ZINC3872805","Hexoprenaline","Oc1ccc([C@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1O"
"2278","ZINC000003872806","ZINC3872806","Hexoprenaline","Oc1ccc([C@@H](O)CNCCCCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1O"
"2279","ZINC000003872807","ZINC3872807","Hexoprenaline","Oc1ccc([C@H](O)CNCCCCCCNC[C@@H](O)c2ccc(O)c(O)c2)cc1O"
"2280","ZINC000003872814","ZINC3872814"," ","C[C@@H](N)Cc1cnc[nH]1"
"2281","ZINC000003872863","ZINC3872863"," ","CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O"
"2282","ZINC000003872928","ZINC3872928"," ","CC(C)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1"
"2283","ZINC000003872931","ZINC3872931","Avapro","CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"2284","ZINC000003872945","ZINC3872945","Isoconazole","Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1"
"2285","ZINC000003872952","ZINC3872952","Forane","FC(F)O[C@H](Cl)C(F)(F)F"
"2286","ZINC000003872953","ZINC3872953","Isoguvacine","O=C(O)C1=CCNCC1"
"2287","ZINC000003872987","ZINC3872987"," ","C=C(C)[C@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O"
"2288","ZINC000003872989","ZINC3872989"," ","C=C(C)[C@H]1CN[C@@H](C(=O)O)[C@@H]1CC(=O)O"
"2289","ZINC000003872994","ZINC3872994","Nizoral","CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"
"2290","ZINC000003873156","ZINC3873156","Lomefloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21"
"2291","ZINC000003873157","ZINC3873157","Lomefloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21"
"2292","ZINC000003873160","ZINC3873160","Losartan","CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"2293","ZINC000003873295","ZINC3873295","Oxiconazole","Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
"2294","ZINC000003873296","ZINC3873296","Oxistat","Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
"2295","ZINC000003873362","ZINC3873362"," ","C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12"
"2296","ZINC000003873364","ZINC3873364"," ","C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12"
"2297","ZINC000003873365","ZINC3873365"," ","C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O"
"2298","ZINC000003873366","ZINC3873366"," ","C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O"
"2299","ZINC000003873371","ZINC3873371","Sulconazole","Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1"
"2300","ZINC000003873646","ZINC3873646"," ","O=S(=O)(O)C[C@H](S)CS"
"2301","ZINC000003873778","ZINC3873778"," ","CN1C[C@@H](CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21"
"2302","ZINC000003873781","ZINC3873781"," ","CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21"
"2303","ZINC000003873817","ZINC3873817","Nicergoline","CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13"
"2304","ZINC000003873832","ZINC3873832","Isosulfan Blue","CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1"
"2305","ZINC000003873879","ZINC3873879"," ","C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12"
"2306","ZINC000003873921","ZINC3873921","Picosulfuric Acid","O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1"
"2307","ZINC000003873927","ZINC3873927","Sulfaguanidine","NC(N)=NS(=O)(=O)c1ccc(N)cc1"
"2308","ZINC000003873936","ZINC3873936","Zazole","CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1"
"2309","ZINC000003874044","ZINC3874044"," ","CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1N"
"2310","ZINC000003874045","ZINC3874045"," ","CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1N"
"2311","ZINC000003874185","ZINC3874185","Mefloquine","O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1"
"2312","ZINC000003874214","ZINC3874214"," ","C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1"
"2313","ZINC000003874215","ZINC3874215"," ","C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O)c1ccccc1"
"2314","ZINC000003874216","ZINC3874216","Metampicillin","C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccccc1"
"2315","ZINC000003874217","ZINC3874217"," ","C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O)c1ccccc1"
"2316","ZINC000003874419","ZINC3874419","Methylephedrin","C[C@@H]([C@@H](O)c1ccccc1)N(C)C"
"2317","ZINC000003874467","ZINC3874467","Nafamostat","N=C(N)c1ccc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc2c1"
"2318","ZINC000003874496","ZINC3874496","Niclosamide","O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O"
"2319","ZINC000003874498","ZINC3874498","Anandron","CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O"
"2320","ZINC000003874580","ZINC3874580","Oxeladin","CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1"
"2321","ZINC000003874585","ZINC3874585","Oxetacaine","CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1"
"2322","ZINC000003874604","ZINC3874604","Pantethine","CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO"
"2323","ZINC000003874605","ZINC3874605"," ","CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO"
"2324","ZINC000003874606","ZINC3874606"," ","CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO"
"2325","ZINC000003874715","ZINC3874715","Wartec","COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC"
"2326","ZINC000003874803","ZINC3874803","Protionamide","CCCc1cc(C(N)=S)ccn1"
"2327","ZINC000003874857","ZINC3874857","Retinyl Acetate","CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C"
"2328","ZINC000003874934","ZINC3874934","Sarpogrelate","COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)O)c1"
"2329","ZINC000003874950","ZINC3874950","Secobarbital","C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O"
"2330","ZINC000003875039","ZINC3875039","Flogos","CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"
"2331","ZINC000003875259","ZINC3875259","Diovan","CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C"
"2332","ZINC000003875273","ZINC3875273"," ","CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@](O)(C(=O)OC)C1)[C@@H]32"
"2333","ZINC000003875311","ZINC3875311","Zaltoprofen","C[C@@H](C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2"
"2334","ZINC000003875332","ZINC3875332","Dexamethasone","C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2335","ZINC000003875334","ZINC3875334","Cortisone","CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C"
"2336","ZINC000003875336","ZINC3875336","Cocaine","COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C"
"2337","ZINC000003875342","ZINC3875342","Piperonyl Butoxide","CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2"
"2338","ZINC000003875355","ZINC3875355"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C"
"2339","ZINC000003875357","ZINC3875357","Prednisone","C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"2340","ZINC000003875362","ZINC3875362","Fluprednisolone","C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"2341","ZINC000003875368","ZINC3875368","Nitrofurantoin","O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1"
"2342","ZINC000003875376","ZINC3875376","Demecarium","CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1"
"2343","ZINC000003875383","ZINC3875383","Cholesterol","CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2344","ZINC000003875387","ZINC3875387","Drolban","C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O"
"2345","ZINC000003875392","ZINC3875392","Tbz","COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2"
"2346","ZINC000003875393","ZINC3875393","Tbz","COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2"
"2347","ZINC000003875417","ZINC3875417","Cloxacillin","Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2348","ZINC000003875420","ZINC3875420","Nalorphine","C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"
"2349","ZINC000003875439","ZINC3875439","Oxacillin","Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2350","ZINC000003875469","ZINC3875469"," ","C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"
"2351","ZINC000003875483","ZINC3875483","Opana","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"
"2352","ZINC000003875484","ZINC3875484","Androxy","C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2353","ZINC000003875560","ZINC3875560","Methylprednisolone","C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12"
"2354","ZINC000003875768","ZINC3875768","Allylthiourea","C=CCNC(N)=S"
"2355","ZINC000003875871","ZINC3875871","Pheneticillin","C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2356","ZINC000003875872","ZINC3875872","Pheneticillin","C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2357","ZINC000003875881","ZINC3875881","5-Fluorodeoxyuridylate","O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1F"
"2358","ZINC000003875980","ZINC3875980","Nafcillin","CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2359","ZINC000003875992","ZINC3875992","Levallorphan","C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13"
"2360","ZINC000003875993","ZINC3875993","Quinestrol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C"
"2361","ZINC000003875998","ZINC3875998"," ","CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C"
"2362","ZINC000003876023","ZINC3876023"," ","C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C"
"2363","ZINC000003876068","ZINC3876068","Methohexital","C=CC[C@@]1([C@@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O"
"2364","ZINC000003876069","ZINC3876069","Methohexital","C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O"
"2365","ZINC000003876078","ZINC3876078","Estradiol","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1"
"2366","ZINC000003876080","ZINC3876080","Testosterone","CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2367","ZINC000003876136","ZINC3876136","Luxiq","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2368","ZINC000003876186","ZINC3876186","Enjuvia","C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O"
"2369","ZINC000003881345","ZINC3881345","Estradiol Benzoate","C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"2370","ZINC000003881408","ZINC3881408","Dehydroepiandrosterone Acetate","CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1"
"2371","ZINC000003881421","ZINC3881421","Boldione","C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"
"2372","ZINC000003881556","ZINC3881556","Estradiol","CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C"
"2373","ZINC000003881613","ZINC3881613"," ","C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1"
"2374","ZINC000003881635","ZINC3881635","Ethisterone","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2375","ZINC000003881640","ZINC3881640","Megace","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2376","ZINC000003881958","ZINC3881958","Danol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C"
"2377","ZINC000003882034","ZINC3882034"," ","N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]12"
"2378","ZINC000003882036","ZINC3882036","Kenalog","C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO"
"2379","ZINC000003882891","ZINC3882891","Orbifloxacin","C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1"
"2380","ZINC000003882897","ZINC3882897","Pyronaridine","COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1"
"2381","ZINC000003913937","ZINC3913937","Piperacillin","CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O"
"2382","ZINC000003914596","ZINC3914596","Saquinavir","CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"
"2383","ZINC000003914808","ZINC3914808","Chenodal","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O"
"2384","ZINC000003914809","ZINC3914809","Urso","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2385","ZINC000003914810","ZINC3914810","Degalol","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C"
"2386","ZINC000003914813","ZINC3914813","Tudca","C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2387","ZINC000003915154","ZINC3915154","Alvesco","CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"
"2388","ZINC000003915645","ZINC3915645","Simendan","C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1"
"2389","ZINC000003916214","ZINC3916214","Neratinib","CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C"
"2390","ZINC000003917400","ZINC3917400"," ","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O)C[C@@H]1O"
"2391","ZINC000003917540","ZINC3917540"," ","CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12"
"2392","ZINC000003917708","ZINC3917708","Daunorubicin","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"2393","ZINC000003917722","ZINC3917722","Argatroban","C[C@@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1"
"2394","ZINC000003918087","ZINC3918087","Doxorubicin","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"2395","ZINC000003918137","ZINC3918137","Glufosfamide","O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"
"2396","ZINC000003918138","ZINC3918138","Zanamivir","CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO"
"2397","ZINC000003918428","ZINC3918428","Lasofoxifene","Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1"
"2398","ZINC000003918453","ZINC3918453","Ertapenem","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12"
"2399","ZINC000003919580","ZINC3919580","Formestane","C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O"
"2400","ZINC000003919581","ZINC3919581","Saprisartan","CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1"
"2401","ZINC000003920027","ZINC3920027","Flovent","CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2402","ZINC000003920028","ZINC3920028","Ultravate","CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2403","ZINC000003920266","ZINC3920266","Idarubicin","CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O"
"2404","ZINC000003920355","ZINC3920355"," ","CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C"
"2405","ZINC000003920657","ZINC3920657"," ","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"
"2406","ZINC000003920673","ZINC3920673","Loteprednol","CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"2407","ZINC000003920719","ZINC3920719","Atorvastatin","CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"
"2408","ZINC000003921872","ZINC3921872","Dovonex","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O"
"2409","ZINC000003922077","ZINC3922077","Cefpirome","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1"
"2410","ZINC000003922156","ZINC3922156","Dimesna","O=S(=O)(O)CCSSCCS(=O)(=O)O"
"2411","ZINC000003922770","ZINC3922770","Doripenem","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12"
"2412","ZINC000003924950","ZINC3924950","Ranelic Acid","N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O"
"2413","ZINC000003925861","ZINC3925861","Vorapaxar","CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1"
"2414","ZINC000003925938","ZINC3925938","Ova","CO[C@@H]1C(=O)CC[C@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C"
"2415","ZINC000003926298","ZINC3926298","Faslodex","C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"
"2416","ZINC000003927198","ZINC3927198","Cfdn","C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1"
"2417","ZINC000003927200","ZINC3927200","Yaz","C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C"
"2418","ZINC000003927822","ZINC3927822","Lurasidone","O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"
"2419","ZINC000003927870","ZINC3927870","Fludarabine","Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O"
"2420","ZINC000003929022","ZINC3929022","Tenofovir Disoproxil","CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C"
"2421","ZINC000003929486","ZINC3929486","Luzu","N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1"
"2422","ZINC000003929508","ZINC3929508","Oseltamivir","CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1"
"2423","ZINC000003929793","ZINC3929793","Dihydroergocryptine","CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
"2424","ZINC000003930376","ZINC3930376","Pmea","CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C"
"2425","ZINC000003931840","ZINC3931840","Altabax","C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"
"2426","ZINC000003932191","ZINC3932191","<i>para</i>-Hydroxyatorvastatin","CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"
"2427","ZINC000003932194","ZINC3932194","<i>ortho</i>-Hydroxyatorvastatin","CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O"
"2428","ZINC000003932831","ZINC3932831","Avodart","C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F"
"2429","ZINC000003934128","ZINC3934128"," ","Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)CC3)c1"
"2430","ZINC000003935130","ZINC3935130","Depsipeptide","C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O"
"2431","ZINC000003935481","ZINC3935481","Suplatast","CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1"
"2432","ZINC000003936683","ZINC3936683","Solifenacin","O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1"
"2433","ZINC000003938482","ZINC3938482","Noxafil","CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O"
"2434","ZINC000003938624","ZINC3938624","Cefminox","CO[C@@]1(NC(=O)CSC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21"
"2435","ZINC000003938628","ZINC3938628"," ","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"
"2436","ZINC000003938633","ZINC3938633"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC"
"2437","ZINC000003938642","ZINC3938642","Thymopentin","CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O"
"2438","ZINC000003938652","ZINC3938652","Dermatop","CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"2439","ZINC000003938681","ZINC3938681","Pipecuronium","CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1"
"2440","ZINC000003938684","ZINC3938684","Toposar","COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"
"2441","ZINC000003938686","ZINC3938686","Palbociclib","CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O"
"2442","ZINC000003938695","ZINC3938695"," ","C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"2443","ZINC000003938704","ZINC3938704","Ellence","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1"
"2444","ZINC000003938744","ZINC3938744","Beclometasone","CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C"
"2445","ZINC000003938746","ZINC3938746","Reserpine","COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"
"2446","ZINC000003938750","ZINC3938750","Canrenoate","C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O"
"2447","ZINC000003938751","ZINC3938751","Budesonide","CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2448","ZINC000003939013","ZINC3939013","Fosaprepitant","C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"2449","ZINC000003940470","ZINC3940470","Pomalyst","Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O"
"2450","ZINC000003940873","ZINC3940873"," ","C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12"
"2451","ZINC000003941496","ZINC3941496","Atazanavir","COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C"
"2452","ZINC000003941829","ZINC3941829","Fosamprenavir","CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1"
"2453","ZINC000003943279","ZINC3943279","Pradaxa","CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1"
"2454","ZINC000003944422","ZINC3944422","Norvir","CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1"
"2455","ZINC000003945332","ZINC3945332","Biricodar","COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC"
"2456","ZINC000003945984","ZINC3945984","Vexol","CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"2457","ZINC000003951740","ZINC3951740","Lpv","Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O"
"2458","ZINC000003952167","ZINC3952167","Ebrotidine","NC(N)=Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1"
"2459","ZINC000003952881","ZINC3952881","Balsalazide","O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1"
"2460","ZINC000003953037","ZINC3953037","Azopt","CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21"
"2461","ZINC000003954487","ZINC3954487","Tps23","CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21"
"2462","ZINC000003955219","ZINC3955219","Darunavir","CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1"
"2463","ZINC000003956771","ZINC3956771","Edoxudine","CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O"
"2464","ZINC000003956788","ZINC3956788","Alinia","CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1"
"2465","ZINC000003956919","ZINC3956919","Bezafibrat","CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O"
"2466","ZINC000003959242","ZINC3959242","Faropenem","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12"
"2467","ZINC000003960338","ZINC3960338","Rozerem","CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3"
"2468","ZINC000003961849","ZINC3961849","Laropiprant","CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3"
"2469","ZINC000003964126","ZINC3964126","Xarelto","O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1"
"2470","ZINC000003964325","ZINC3964325","Sunitinib","CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C"
"2471","ZINC000003972949","ZINC3972949","Ioflupane","COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF"
"2472","ZINC000003973334","ZINC3973334","Aromasin","C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12"
"2473","ZINC000003975663","ZINC3975663","Merimepodib","COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1"
"2474","ZINC000003976077","ZINC3976077","Equa","N#C[C@@H]1CCCN1C(=O)CNC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2"
"2475","ZINC000003976838","ZINC3976838","Afatinib","CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1"
"2476","ZINC000003977737","ZINC3977737","Zanosar","CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O"
"2477","ZINC000003977751","ZINC3977751"," ","CC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O"
"2478","ZINC000003977764","ZINC3977764","Fosinopril","CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C"
"2479","ZINC000003977767","ZINC3977767","Clobetasol","CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2480","ZINC000003977777","ZINC3977777","Cyclocort","CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C"
"2481","ZINC000003977786","ZINC3977786"," ","O=C1c2c(O)cccc2[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21"
"2482","ZINC000003977787","ZINC3977787"," ","O=C1c2c(O)cccc2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21"
"2483","ZINC000003977803","ZINC3977803"," ","COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O"
"2484","ZINC000003977807","ZINC3977807"," ","CCCC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1OC(=O)CCC"
"2485","ZINC000003977868","ZINC3977868","Biosone","CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C"
"2486","ZINC000003977881","ZINC3977881","Cephalosporin C","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1"
"2487","ZINC000003977882","ZINC3977882"," ","CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@@H]2SC1"
"2488","ZINC000003977898","ZINC3977898","Hydroquinidine","CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"2489","ZINC000003977899","ZINC3977899","Hydroquinidine","CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"2490","ZINC000003977942","ZINC3977942","Moxalactam","CO[C@@]1(NC(=O)[C@@H](C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21"
"2491","ZINC000003977945","ZINC3977945","Medrysone","CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C"
"2492","ZINC000003977952","ZINC3977952","Lactulose","OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"
"2493","ZINC000003977978","ZINC3977978","Fluocinonide","CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C"
"2494","ZINC000003977981","ZINC3977981","Capex","CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2495","ZINC000003977985","ZINC3977985","Flumetasone","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C"
"2496","ZINC000003978005","ZINC3978005","Dihydroergotamine","CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21"
"2497","ZINC000003978006","ZINC3978006","Dicloxacillin","Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2498","ZINC000003978028","ZINC3978028","Cleocin","CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"2499","ZINC000003978029","ZINC3978029","Cleocin","CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"2500","ZINC000003978033","ZINC3978033","Carbenicillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2501","ZINC000003978083","ZINC3978083","Tubocurarin","COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C"
"2502","ZINC000003978654","ZINC3978654"," ","COc1c(O)cc2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O"
"2503","ZINC000003979156","ZINC3979156","Nimustine","Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1"
"2504","ZINC000003979899","ZINC3979899","Brivaracetam","CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1"
"2505","ZINC000003981610","ZINC3981610","Rapivab","CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N"
"2506","ZINC000003982471","ZINC3982471"," ","C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"
"2507","ZINC000003982483","ZINC3982483","Lincomycin","CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"2508","ZINC000003983907","ZINC3983907","N-Acetylglucosamine","CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O"
"2509","ZINC000003983936","ZINC3983936","Flumetasone","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2510","ZINC000003984016","ZINC3984016","Roseox","CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2"
"2511","ZINC000003984042","ZINC3984042"," ","CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"2512","ZINC000003985346","ZINC3985346","Finafloxacin","N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"
"2513","ZINC000003985982","ZINC3985982","Inspra","COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13"
"2514","ZINC000003986735","ZINC3986735","Sprycel","Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1"
"2515","ZINC000003989268","ZINC3989268","Ceftaroline Fosamil","CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1"
"2516","ZINC000003990451","ZINC3990451","Selexipag","CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1"
"2517","ZINC000003991624","ZINC3991624","Vilanterol","OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O"
"2518","ZINC000003992105","ZINC3992105","Avamys","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF"
"2519","ZINC000003992480","ZINC3992480","Mp-424","CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1"
"2520","ZINC000003993846","ZINC3993846","Ixabepilone","C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1"
"2521","ZINC000003993855","ZINC3993855","Cialis","CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O"
"2522","ZINC000003995599","ZINC3995599","Ambenonium","CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl"
"2523","ZINC000003995616","ZINC3995616","Ergoloid","CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O"
"2524","ZINC000003995781","ZINC3995781","Norclozapine","Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2"
"2525","ZINC000003995807","ZINC3995807","Faslodex","C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@@H]2O"
"2526","ZINC000003995809","ZINC3995809","Faslodex","C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O"
"2527","ZINC000003995811","ZINC3995811","Faslodex","C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@@H]2O"
"2528","ZINC000003995861","ZINC3995861","Picrotin","CC(C)(O)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C"
"2529","ZINC000003995890","ZINC3995890","S-Gi","OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O"
"2530","ZINC000003996032","ZINC3996032","Reboxetine","CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1"
"2531","ZINC000003999653","ZINC3999653","Meradimate","CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1N"
"2532","ZINC000004026419","ZINC4026419","Cdmt","C[C@]12C=CC(=O)C(Cl)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"
"2533","ZINC000004038341","ZINC4038341","Cleocin","CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"2534","ZINC000004059755","ZINC4059755"," ","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@H]3C[C@H]12"
"2535","ZINC000004068309","ZINC4068309","2-Amino-5-Benzoylbenzimidazole","Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1"
"2536","ZINC000004074875","ZINC4074875","Candesartan","CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"2537","ZINC000004081771","ZINC4081771","Testolactone","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2"
"2538","ZINC000004083557","ZINC4083557","Corlin","C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"2539","ZINC000004083606","ZINC4083606","Hydroxyprogesterone","CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2540","ZINC000004084618","ZINC4084618"," ","CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2541","ZINC000004095696","ZINC4095696","Cilastatin","CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O"
"2542","ZINC000004095703","ZINC4095703","Inulin","OC[C@H]1O[C@](O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O"
"2543","ZINC000004095717","ZINC4095717","Harzol","CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C"
"2544","ZINC000004095761","ZINC4095761","Lactose","OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"
"2545","ZINC000004095762","ZINC4095762","Maltose","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"2546","ZINC000004095793","ZINC4095793","Lactose","OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"
"2547","ZINC000004095858","ZINC4095858","Eprolin","Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2"
"2548","ZINC000004095859","ZINC4095859","Tocopherol","Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2"
"2549","ZINC000004095860","ZINC4095860","Tocopherol","Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2"
"2550","ZINC000004095861","ZINC4095861","Tocopherol","Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2"
"2551","ZINC000004095862","ZINC4095862","Tocopherol","Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2"
"2552","ZINC000004095934","ZINC4095934","Albendazole Oxide","CCC[S@@](=O)c1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1"
"2553","ZINC000004096261","ZINC4096261","Protirelin","NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1"
"2554","ZINC000004096458","ZINC4096458","Dheas","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O"
"2555","ZINC000004096488","ZINC4096488","6-Thioinosine-5'-Monophosphate","O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"
"2556","ZINC000004096712","ZINC4096712","Stigmasterin","CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C"
"2557","ZINC000004096817","ZINC4096817","Estradiol Glucuronide","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"2558","ZINC000004096846","ZINC4096846","Rut","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"
"2559","ZINC000004096986","ZINC4096986","6-Oxo-Pgf1a","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O"
"2560","ZINC000004097183","ZINC4097183","Diacetylmorphine","CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314"
"2561","ZINC000004097185","ZINC4097185","Reserpinin","COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"
"2562","ZINC000004097186","ZINC4097186","Deserpine","COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"
"2563","ZINC000004097225","ZINC4097225","Imipenem","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12"
"2564","ZINC000004097283","ZINC4097283","Lcm","CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"2565","ZINC000004097284","ZINC4097284"," ","CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2566","ZINC000004097285","ZINC4097285","Beclomethasone","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2567","ZINC000004097286","ZINC4097286","Budesonide","CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2568","ZINC000004097299","ZINC4097299","Docusate","CCCC[C@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O"
"2569","ZINC000004097301","ZINC4097301","Docusate","CCCC[C@H](CC)COC(=O)C[C@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O"
"2570","ZINC000004097304","ZINC4097304"," ","C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"2571","ZINC000004097305","ZINC4097305","Flunisolide","CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2572","ZINC000004097308","ZINC4097308","Cordran","CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2573","ZINC000004097309","ZINC4097309"," ","CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C"
"2574","ZINC000004097310","ZINC4097310"," ","CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C"
"2575","ZINC000004097338","ZINC4097338","Guanadrel","N=C(N)NC[C@@H]1COC2(CCCCC2)O1"
"2576","ZINC000004097343","ZINC4097343","Itc","CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"2577","ZINC000004097344","ZINC4097344","Itc","CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"2578","ZINC000004097356","ZINC4097356"," ","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2579","ZINC000004097358","ZINC4097358"," ","CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O"
"2580","ZINC000004097376","ZINC4097376","Winstrol","C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"
"2581","ZINC000004097383","ZINC4097383","Pancuronium","CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1"
"2582","ZINC000004097384","ZINC4097384"," ","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2583","ZINC000004097392","ZINC4097392","Suprane","FC(F)O[C@H](F)C(F)(F)F"
"2584","ZINC000004097404","ZINC4097404","Vecuronium","CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1"
"2585","ZINC000004097406","ZINC4097406","Cannabidiol","C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O"
"2586","ZINC000004097413","ZINC4097413"," ","CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"2587","ZINC000004097414","ZINC4097414","Kava","COC1=CC(=O)O[C@H](/C=C/C2=CCCC=C2)C1"
"2588","ZINC000004097415","ZINC4097415","Kava","COC1=CC(=O)O[C@@H](/C=C/C2=CCCC=C2)C1"
"2589","ZINC000004097416","ZINC4097416"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC"
"2590","ZINC000004097424","ZINC4097424"," ","N=C(N)NC(=N)N"
"2591","ZINC000004097426","ZINC4097426","Glyset","OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO"
"2592","ZINC000004097427","ZINC4097427","Candesartan","CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"2593","ZINC000004097438","ZINC4097438"," ","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF"
"2594","ZINC000004097439","ZINC4097439"," ","C[C@@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF"
"2595","ZINC000004097440","ZINC4097440","Asmanex","C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl"
"2596","ZINC000004097448","ZINC4097448","Metocurine","COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3"
"2597","ZINC000004097451","ZINC4097451"," ","C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@H]2N"
"2598","ZINC000004097458","ZINC4097458","Cefuroxime Axetil","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1"
"2599","ZINC000004097459","ZINC4097459","Cefuroxime Axetil","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[C@H](C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1"
"2600","ZINC000004097467","ZINC4097467","Megestrol","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2601","ZINC000004097468","ZINC4097468","Testosterone","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1"
"2602","ZINC000004097476","ZINC4097476","Diatrizoate","CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I"
"2603","ZINC000004098264","ZINC4098264","Fumagillin","CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CO2"
"2604","ZINC000004098512","ZINC4098512","Diosmin","COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O"
"2605","ZINC000004098610","ZINC4098610","Dzn","O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12"
"2606","ZINC000004098633","ZINC4098633","Piceid","OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"
"2607","ZINC000004098984","ZINC4098984","Glucuronide","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1"
"2608","ZINC000004099002","ZINC4099002","2-Methoxy-Estradiol-17b 3-Glucuronide","COc1cc2c(cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12"
"2609","ZINC000004099004","ZINC4099004","Estrone Glucuronide","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CCC2=O"
"2610","ZINC000004099008","ZINC4099008","Vumon","COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"
"2611","ZINC000004099009","ZINC4099009","Vumon","COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O"
"2612","ZINC000004099011","ZINC4099011","Thiolactomycin","C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O"
"2613","ZINC000004099013","ZINC4099013","Sn-38","CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"2614","ZINC000004099032","ZINC4099032","Estramustine","C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"2615","ZINC000004099035","ZINC4099035","Estradiol 17b Glucuronide","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"2616","ZINC000004099050","ZINC4099050","Estradiol Glucuronide Sulfate","C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"2617","ZINC000004099104","ZINC4099104","Sn38 Glucuronide","CCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"2618","ZINC000004099164","ZINC4099164"," ","N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O"
"2619","ZINC000004099200","ZINC4099200","Pantoprazole","COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC"
"2620","ZINC000004102186","ZINC4102186","Hetacillin","CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O"
"2621","ZINC000004102187","ZINC4102187","Floxacillin","Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2622","ZINC000004102194","ZINC4102194","Centany","C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O"
"2623","ZINC000004102205","ZINC4102205","Dihydromorphine","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"2624","ZINC000004102315","ZINC4102315","Cerulenin","C/C=C/C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O"
"2625","ZINC000004149248","ZINC4149248","Olmesartan Medoxomil","CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"2626","ZINC000004164422","ZINC4164422"," ","C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O"
"2627","ZINC000004164431","ZINC4164431"," ","C[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O"
"2628","ZINC000004172330","ZINC4172330","Alclometasone","CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl"
"2629","ZINC000004172337","ZINC4172337","Tocopherol Acetate","CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2"
"2630","ZINC000004175569","ZINC4175569","Domperidone","Oc1nc2ccccc2n1CCCN1CCC(n2c(O)nc3cc(Cl)ccc32)CC1"
"2631","ZINC000004175630","ZINC4175630","Orap","Oc1nc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"
"2632","ZINC000004208846","ZINC4208846","Protoporphyrin Ix","C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C"
"2633","ZINC000004212161","ZINC4212161","Bisorcic","CC(=O)NCCC[C@@H](NC(C)=O)C(=O)O"
"2634","ZINC000004212177","ZINC4212177","Bornaprine","CCN(CC)CCCOC(=O)[C@]1(c2ccccc2)C[C@@H]2CC[C@H]1C2"
"2635","ZINC000004212626","ZINC4212626","Clomocycline","CN(C)[C@@H]1C(O)=C(C(=O)NCO)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12"
"2636","ZINC000004212809","ZINC4212809","Deflazacort","CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"
"2637","ZINC000004212851","ZINC4212851","Lokara","CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2638","ZINC000004212854","ZINC4212854","Topicort","C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO"
"2639","ZINC000004212915","ZINC4212915","Dichlorisone Acetate","CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C"
"2640","ZINC000004212938","ZINC4212938","Diflorasone","CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2641","ZINC000004212939","ZINC4212939","Diflucortolone","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO"
"2642","ZINC000004212945","ZINC4212945","Dfba","CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2643","ZINC000004212953","ZINC4212953","Dihydrotachysterol","CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C"
"2644","ZINC000004213057","ZINC4213057","Dromostanolone Propionate","CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C"
"2645","ZINC000004213101","ZINC4213101","Encainide","COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCCN2C)cc1"
"2646","ZINC000004213231","ZINC4213231","Febarbamate","CCCCOC[C@H](CN1C(=O)NC(=O)[C@@](CC)(c2ccccc2)C1=O)OC(N)=O"
"2647","ZINC000004213332","ZINC4213332","Flucloronide","CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1"
"2648","ZINC000004213353","ZINC4213353","Fluocortolone","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO"
"2649","ZINC000004213363","ZINC4213363","Fluprednidene","C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2650","ZINC000004213449","ZINC4213449","Gcu","O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O"
"2651","ZINC000004213474","ZINC4213474","Halcinonide","CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1"
"2652","ZINC000004213506","ZINC4213506","Hydrocortamate","CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"2653","ZINC000004213771","ZINC4213771","Meradimate","CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1N"
"2654","ZINC000004213946","ZINC4213946","Nebivolol","O[C@@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"
"2655","ZINC000004214205","ZINC4214205","Propicillin","CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2656","ZINC000004214391","ZINC4214391","Temocillin","CO[C@@]1(NC(=O)[C@H](C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21"
"2657","ZINC000004214473","ZINC4214473","Tipredane","CCS[C@]1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"2658","ZINC000004214603","ZINC4214603","Halobetasol","C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl"
"2659","ZINC000004214612","ZINC4214612"," ","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"2660","ZINC000004214681","ZINC4214681","E-10-Hydroxyamitriptyline","CN(C)CC/C=C1\c2ccccc2C[C@@H](O)c2ccccc21"
"2661","ZINC000004214700","ZINC4214700","Paliperidone","Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O"
"2662","ZINC000004214738","ZINC4214738","S-Adenosyl-L-Methionine","C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"
"2663","ZINC000004214740","ZINC4214740","Adinazolam","CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"
"2664","ZINC000004214767","ZINC4214767"," ","C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C"
"2665","ZINC000004214772","ZINC4214772","Almitrine","C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1"
"2666","ZINC000004214779","ZINC4214779","(+)-Alpha-Tocopheryl Succinate","Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2"
"2667","ZINC000004214799","ZINC4214799","Pivmecillinam","CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C"
"2668","ZINC000004214905","ZINC4214905","Azanidazole","Cn1c([N+](=O)[O-])cnc1/C=C/c1ccnc(N)n1"
"2669","ZINC000004214955","ZINC4214955","Bendamustine","Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21"
"2670","ZINC000004214983","ZINC4214983","Homocaine","CCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C"
"2671","ZINC000004215173","ZINC4215173","Methosarb","C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12"
"2672","ZINC000004215219","ZINC4215219","Cefalonium","NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1"
"2673","ZINC000004215234","ZINC4215234","Cdtr-Pi","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1"
"2674","ZINC000004215255","ZINC4215255","Cefpimizole","O=C(O)C1=C(C[n+]2ccc(CCS(=O)(=O)O)cc2)CS[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3nc[nH]c3C(=O)O)c3ccccc3)C(=O)N12"
"2675","ZINC000004215257","ZINC4215257","Cefpiramide","Cc1cc(=O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)c[nH]1"
"2676","ZINC000004215367","ZINC4215367","Cisapride","COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC"
"2677","ZINC000004215548","ZINC4215548"," ","CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C"
"2678","ZINC000004215629","ZINC4215629"," ","C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N"
"2679","ZINC000004215648","ZINC4215648"," ","CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
"2680","ZINC000004215736","ZINC4215736","Dihydrocodeine","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314"
"2681","ZINC000004215812","ZINC4215812","Epicriptine","CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
"2682","ZINC000004216238","ZINC4216238"," ","Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O"
"2683","ZINC000004216332","ZINC4216332","Esiclene","C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(C=O)=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C"
"2684","ZINC000004216393","ZINC4216393","Gemeprost","CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC"
"2685","ZINC000004216615","ZINC4216615","Ioxitalamic Acid","CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I"
"2686","ZINC000004216730","ZINC4216730","Levopropylcillin","CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12"
"2687","ZINC000004216741","ZINC4216741","Limaprost","CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O"
"2688","ZINC000004216820","ZINC4216820","Medrogestone","CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2689","ZINC000004216862","ZINC4216862","Meprednisone","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2690","ZINC000004217164","ZINC4217164"," ","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"
"2691","ZINC000004217167","ZINC4217167"," ","CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"2692","ZINC000004217170","ZINC4217170","Norcodeine","COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314"
"2693","ZINC000004217203","ZINC4217203","Oftasceine","O=C(O)CN(CC(=O)O)Cc1cc2c(cc1O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21"
"2694","ZINC000004217232","ZINC4217232","Anamidol","C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2695","ZINC000004217252","ZINC4217252","Penfluridol","OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"
"2696","ZINC000004217270","ZINC4217270","Perindoprilat","CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O"
"2697","ZINC000004217287","ZINC4217287","Ethnine","CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"
"2698","ZINC000004217399","ZINC4217399","Ramiprilat","C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21"
"2699","ZINC000004217406","ZINC4217406","Remikiren","CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1"
"2700","ZINC000004217459","ZINC4217459","Spirapril","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2"
"2701","ZINC000004217466","ZINC4217466"," ","C[C@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]23Oc2c(c(O)cc4c2CNC4=O)C[C@]13C"
"2702","ZINC000004217475","ZINC4217475","Sugar","OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"2703","ZINC000004217548","ZINC4217548","Thioinosine","OC[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@H](O)[C@@H]1O"
"2704","ZINC000004217560","ZINC4217560","Tiazofurin","NC(=O)c1csc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1"
"2705","ZINC000004217571","ZINC4217571","Tiocarlide","CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1"
"2706","ZINC000004217580","ZINC4217580","Tiratricol","O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1"
"2707","ZINC000004217587","ZINC4217587","Tolonium","Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N"
"2708","ZINC000004217732","ZINC4217732","Lubiprostone","CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1"
"2709","ZINC000004228231","ZINC4228231","S-Adenosyl-L-Methionine","C[S@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O"
"2710","ZINC000004228232","ZINC4228232","Sah","Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O"
"2711","ZINC000004228235","ZINC4228235","Tetrahydrofolate","Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2"
"2712","ZINC000004228237","ZINC4228237","Tetra-H-Folate","Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2"
"2713","ZINC000004228238","ZINC4228238","Tetra-H-Folate","Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1)CN2"
"2714","ZINC000004228257","ZINC4228257","Kuvan","C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1"
"2715","ZINC000004228258","ZINC4228258","Kuvan","C[C@@H](O)[C@@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1"
"2716","ZINC000004228266","ZINC4228266","Methyl Folate","CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1"
"2717","ZINC000004228267","ZINC4228267","Methyl Folate","CN1c2c(nc(N)[nH]c2=O)NC[C@H]1CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1"
"2718","ZINC000004235575","ZINC4235575"," ","CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1"
"2719","ZINC000004245623","ZINC4245623"," ","COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)[C@@H](OC)CC(=O)C[C@H]1C"
"2720","ZINC000004245625","ZINC4245625"," ","COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@H](C)CC(=O)C[C@H]1OC"
"2721","ZINC000004245650","ZINC4245650","Ginkgolide-A","C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O"
"2722","ZINC000004245665","ZINC4245665","Thiocolchicoside","COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2"
"2723","ZINC000004257980","ZINC4257980","Hydroxyhaloperidol","O[C@H](CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"2724","ZINC000004258316","ZINC4258316","Azathioprine","Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12"
"2725","ZINC000004261765","ZINC4261765","Atp","Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O"
"2726","ZINC000004284471","ZINC4284471"," ","Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2"
"2727","ZINC000004284473","ZINC4284473"," ","CC(=O)Oc1cccc(C)c1"
"2728","ZINC000004311748","ZINC4311748","Nitrazepam","O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1"
"2729","ZINC000004329335","ZINC4329335","Fludeoxyglucose","OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@@H]1O"
"2730","ZINC000004340269","ZINC4340269","Amiloride","NC(N)=NC(=O)c1nc(Cl)c(N)nc1N"
"2731","ZINC000004365621","ZINC4365621"," ","CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)O)cc1"
"2732","ZINC000004392649","ZINC4392649","Tasimelteon","CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2"
"2733","ZINC000004393164","ZINC4393164","Aliskiren","COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC"
"2734","ZINC000004424091","ZINC4424091","Ceftobiprole","Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(/C=C4\CCN([C@@H]5CCNC5)C4=O)CS[C@H]23)ns1"
"2735","ZINC000004428527","ZINC4428527","Desoxycortone","CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2736","ZINC000004428529","ZINC4428529","Gesterol","CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2737","ZINC000004467397","ZINC4467397"," ","CN(C/C=C\C#CC(C)(C)C)Cc1cccc2ccccc12"
"2738","ZINC000004468778","ZINC4468778","Cefixime","C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1"
"2739","ZINC000004468780","ZINC4468780","Cefotaxime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1"
"2740","ZINC000004468952","ZINC4468952","Zucapsaicin","COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O"
"2741","ZINC000004474405","ZINC4474405","Latisse","CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1"
"2742","ZINC000004474414","ZINC4474414","Calderol","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O"
"2743","ZINC000004474443","ZINC4474443","Cefprozil","C/C=C\C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1"
"2744","ZINC000004474460","ZINC4474460"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C"
"2745","ZINC000004474539","ZINC4474539","Dihydralazine","NNc1nnc(NN)c2ccccc12"
"2746","ZINC000004474564","ZINC4474564","Cervonate","CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O"
"2747","ZINC000004474571","ZINC4474571"," ","C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"2748","ZINC000004474603","ZINC4474603","Epa","CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O"
"2749","ZINC000004474613","ZINC4474613","Linolate","CCCCC/C=C\C/C=C\CCCCCCCC(=O)O"
"2750","ZINC000004474682","ZINC4474682","Travoprost","CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1"
"2751","ZINC000004475353","ZINC4475353","Sulindac","CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1"
"2752","ZINC000004481936","ZINC4481936"," ","O=C1/C(=C/c2cccs2)CCC/C1=C\c1cccs1"
"2753","ZINC000004498292","ZINC4498292"," ","CC(=O)OC[C@H]1O[C@@H](S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"
"2754","ZINC000004498297","ZINC4498297"," ","CC(=O)OC[C@@H]1O[C@@H](S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"
"2755","ZINC000004521470","ZINC4521470","Dgla","CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O"
"2756","ZINC000004521773","ZINC4521773","Perillol","C=C(C)[C@H]1CC=C(CO)CC1"
"2757","ZINC000004521924","ZINC4521924","Trans-Vitamin D3","C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C"
"2758","ZINC000004534090","ZINC4534090"," ","CC(=O)N[C@@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O"
"2759","ZINC000004538773","ZINC4538773","Adelmidrol","O=C(CCCCCCCC(=O)NCCO)NCCO"
"2760","ZINC000004544883","ZINC4544883","Orilotimod","N[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O"
"2761","ZINC000004576930","ZINC4576930"," ","CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O"
"2762","ZINC000004576931","ZINC4576931","Penicilloic Acid","CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O"
"2763","ZINC000004577910","ZINC4577910","Pralidoxime","C[n+]1ccccc1/C=N/O"
"2764","ZINC000004578995","ZINC4578995","3-Amino-2-Oxazolidone","NN1CCOC1=O"
"2765","ZINC000004579270","ZINC4579270"," ","O=S(=O)(O)C[C@@H](S)CS"
"2766","ZINC000004617749","ZINC4617749","Nimesulide","CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1"
"2767","ZINC000004618208","ZINC4618208","Rabeprazole","COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C"
"2768","ZINC000004626719","ZINC4626719","Alphaprodine","CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@H]1C"
"2769","ZINC000004626727","ZINC4626727"," ","CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C"
"2770","ZINC000004629876","ZINC4629876","Daral","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"2771","ZINC000004632106","ZINC4632106","Medetomidine","Cc1cccc([C@H](C)c2cnc[nH]2)c1C"
"2772","ZINC000004640636","ZINC4640636","Procasil","CCCc1cc(=O)[nH]c(=S)[nH]1"
"2773","ZINC000004641374","ZINC4641374","Doxercalciferol","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O"
"2774","ZINC000004654665","ZINC4654665"," ","OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl"
"2775","ZINC000004654793","ZINC4654793"," ","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O)C[C@@H]1O"
"2776","ZINC000004654818","ZINC4654818","Carindacillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"2777","ZINC000004654886","ZINC4654886","Dopamine 3-O-Sulfate","NCCc1ccc(O)c(OS(=O)(=O)O)c1"
"2778","ZINC000004654887","ZINC4654887","Dopamine 4-Sulfate","NCCc1ccc(OS(=O)(=O)O)c(O)c1"
"2779","ZINC000004654889","ZINC4654889","Amitiza","CCCCC(F)(F)[C@@]1(O)CC[C@@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@H]2O1"
"2780","ZINC000004655029","ZINC4655029","Bedaquiline","COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12"
"2781","ZINC000004655055","ZINC4655055","Hydroxyflutamide","CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1"
"2782","ZINC000004658290","ZINC4658290","Mercaptopurine","S=c1[nH]cnc2nc[nH]c12"
"2783","ZINC000004658552","ZINC4658552","Padil","NCC(=O)O"
"2784","ZINC000004658553","ZINC4658553","Ala","C[C@H](N)C(=O)O"
"2785","ZINC000004658557","ZINC4658557","Glypure","O=C(O)CO"
"2786","ZINC000004658560","ZINC4658560","Lactate","C[C@H](O)C(=O)O"
"2787","ZINC000004658562","ZINC4658562","Dla","C[C@@H](O)C(=O)O"
"2788","ZINC000004658577","ZINC4658577","Acetylhydrazine","CC(=O)NN"
"2789","ZINC000004658603","ZINC4658603","Aha","CC(=O)NO"
"2790","ZINC000004658606","ZINC4658606"," ","CS(C)(=O)=O"
"2791","ZINC000004676424","ZINC4676424","Pantoprazole","COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC"
"2792","ZINC000004685854","ZINC4685854","Purine Analog","Cn1c(=O)[nH]c(=O)c2[nH]cnc21"
"2793","ZINC000004693574","ZINC4693574","Omeprazole","COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1"
"2794","ZINC000004693575","ZINC4693575","Omeprazole","COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1"
"2795","ZINC000004726476","ZINC4726476","Crd","C/C=C\C=O"
"2796","ZINC000004742540","ZINC4742540","Dienesterol","C/C=C(C(=C/C)\c1ccc(O)cc1)/c1ccc(O)cc1"
"2797","ZINC000004743888","ZINC4743888","M1a","C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O"
"2798","ZINC000004744090","ZINC4744090"," ","C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12"
"2799","ZINC000004748451","ZINC4748451","5-Ethyl-5-Methyl-2,4-Oxazolidinedione","CC[C@]1(C)OC(=O)NC1=O"
"2800","ZINC000004771863","ZINC4771863"," ","OC[C@@H]1O[C@H](n2cnc3c2NC=NC[C@H]3O)C[C@H]1O"
"2801","ZINC000004771864","ZINC4771864"," ","OC[C@@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@H]1O"
"2802","ZINC000004777909","ZINC4777909"," ","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC"
"2803","ZINC000004782900","ZINC4782900"," ","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@@H]2C(=O)O)OCO4)cc(OC)c1OC"
"2804","ZINC000004805034","ZINC4805034","Benzoylecgonine","CN1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2"
"2805","ZINC000004811698","ZINC4811698","Amobarbital","CCC1(CCC(C)C)C(=O)NC(=O)NC1=O"
"2806","ZINC000004824235","ZINC4824235","Udenafil","CCCOc1ccc(S(=O)(=O)NCC[C@@H]2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1"
"2807","ZINC000004896000","ZINC4896000"," ","N=C(N)c1ccc(/C=C\c2ccc(C(=N)N)cc2O)cc1"
"2808","ZINC000004974291","ZINC4974291","Isoniazid Pyruvate","C/C(=N\NC(=O)c1ccncc1)C(=O)O"
"2809","ZINC000004978673","ZINC4978673","Stearate","CCCCCCCCCCCCCCCCCC(=O)O"
"2810","ZINC000005004658","ZINC5004658"," ","C/C=C\C/C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O"
"2811","ZINC000005019445","ZINC5019445"," ","O=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1"
"2812","ZINC000005029557","ZINC5029557","Provera","CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2813","ZINC000005065159","ZINC5065159","Fencamfamin","CCN[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1"
"2814","ZINC000005065160","ZINC5065160","Fencamfamin","CCN[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1"
"2815","ZINC000005104028","ZINC5104028","Ormeloxifene","COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1"
"2816","ZINC000005113685","ZINC5113685"," ","O=C(O)CCOP(=O)(NCCCl)NCCCl"
"2817","ZINC000005113686","ZINC5113686"," ","O=CCCOP(=O)(NCCCl)NCCCl"
"2818","ZINC000005116153","ZINC5116153","5-Hydroxyomeprazole","COc1ccc2nc([S@](=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1"
"2819","ZINC000005116154","ZINC5116154","5-Hydroxyomeprazole","COc1ccc2nc([S@@](=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1"
"2820","ZINC000005116305","ZINC5116305","Detomidine","Cc1cccc(Cc2c[nH]cn2)c1C"
"2821","ZINC000005116499","ZINC5116499","4-Hydroxymidazolam","Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@H]2O"
"2822","ZINC000005116719","ZINC5116719","Ramosetron","Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21"
"2823","ZINC000005116994","ZINC5116994","5-Hydroxypyrazinamide","NC(=O)c1c[nH]c(=O)cn1"
"2824","ZINC000005117478","ZINC5117478","Eberconazole","Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@@H]2n1ccnc1"
"2825","ZINC000005127789","ZINC5127789"," ","O=c1[nH]cnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
"2826","ZINC000005127810","ZINC5127810","Thiouracil","O=c1cc[nH]c(=S)[nH]1"
"2827","ZINC000005131989","ZINC5131989"," ","OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO"
"2828","ZINC000005132639","ZINC5132639"," ","CCC1=[N+](C)[C@@H](C)CC1(c1ccccc1)c1ccccc1"
"2829","ZINC000005132640","ZINC5132640"," ","CCC1=[N+](C)[C@H](C)CC1(c1ccccc1)c1ccccc1"
"2830","ZINC000005133120","ZINC5133120","Doq","NCCC1=CC(=O)C(=O)C=C1"
"2831","ZINC000005133329","ZINC5133329","Iph","Oc1ccccc1"
"2832","ZINC000005133378","ZINC5133378","Hydroquinone","Oc1ccc(O)cc1"
"2833","ZINC000005134113","ZINC5134113"," ","N[P@]1(=O)OCCCN1CCCl"
"2834","ZINC000005134119","ZINC5134119"," ","N[P@@]1(=O)OCCCN1CCCl"
"2835","ZINC000005134248","ZINC5134248"," ","O=[P@]1(NCCCl)NCCCO1"
"2836","ZINC000005134829","ZINC5134829","5,6-Dihydro-5-Fluorouracil","O=C1N=C(O)[C@@H](F)CN1"
"2837","ZINC000005138214","ZINC5138214","Metyrapol","CC(C)(c1cccnc1)[C@H](O)c1cccnc1"
"2838","ZINC000005138217","ZINC5138217","Metyrapol","CC(C)(c1cccnc1)[C@@H](O)c1cccnc1"
"2839","ZINC000005138341","ZINC5138341","Mono-Isopropyl-Disopyramide","CC(C)NCC[C@@](C(N)=O)(c1ccccc1)c1ccccn1"
"2840","ZINC000005138343","ZINC5138343","Mono-Isopropyl-Disopyramide","CC(C)NCC[C@](C(N)=O)(c1ccccc1)c1ccccn1"
"2841","ZINC000005138848","ZINC5138848"," ","C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CS"
"2842","ZINC000005139136","ZINC5139136","Forasartan","CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)n1"
"2843","ZINC000005139697","ZINC5139697","Desethylamodiaquine","CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O"
"2844","ZINC000005140195","ZINC5140195","Pefloxacin N-Oxide","CC[N+]1([O-])C=C(C(=O)O)C(=O)c2cc(F)c(N3CCN(C)CC3)cc21"
"2845","ZINC000005140429","ZINC5140429","2-Hydroxyimipramine","CN(C)CCCN1c2ccccc2CCc2cc(O)ccc21"
"2846","ZINC000005140706","ZINC5140706","Nnal","CN(CCC[C@H](O)c1cccnc1)N=O"
"2847","ZINC000005140707","ZINC5140707","Nnal","CN(CCC[C@@H](O)c1cccnc1)N=O"
"2848","ZINC000005140766","ZINC5140766","5'-Hydroxytenoxicam","CN1/C(=C(\O)Nc2ccc(O)cn2)C(=O)c2sccc2S1(=O)=O"
"2849","ZINC000005140767","ZINC5140767","5'-Hydroxypiroxicam","CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2ccccc2S1(=O)=O"
"2850","ZINC000005140888","ZINC5140888","3hc-Gluc","CN1C(=O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1"
"2851","ZINC000005140934","ZINC5140934","2-Hydroxydesipramine","CNCCCN1c2ccccc2CCc2cc(O)ccc21"
"2852","ZINC000005141311","ZINC5141311"," ","C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12"
"2853","ZINC000005141586","ZINC5141586","Or-1855","C[C@@H]1CC(=O)NN=C1c1ccc(N)cc1"
"2854","ZINC000005157164","ZINC5157164","5,6-Dihydro-5-Fluorouracil","O=C1N=C(O)[C@H](F)CN1"
"2855","ZINC000005159450","ZINC5159450","Nicotine Imine","C[N+]1=CCC[C@H]1c1cccnc1"
"2856","ZINC000005159538","ZINC5159538","4-Amino-Mx","Cc1c(N)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]"
"2857","ZINC000005159763","ZINC5159763","R-7-Hydroxywarfarin","CC(=O)C[C@H](c1ccccc1)c1c(O)oc2cc(O)ccc2c1=O"
"2858","ZINC000005160011","ZINC5160011","N,n'-Diacetylhydrazine","CC(=O)NNC(C)=O"
"2859","ZINC000005161502","ZINC5161502","4-Hydroxyalprazolam","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=N[C@H]2O"
"2860","ZINC000005161505","ZINC5161505","4-Hydroxytriazolam","Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=N[C@H]2O"
"2861","ZINC000005162311","ZINC5162311","Ilevro","NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N"
"2862","ZINC000005163012","ZINC5163012","Cefapirin Sodium","O=C(CSc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12"
"2863","ZINC000005166438","ZINC5166438","N-Desmethyldiltiazem","CNCCN1C(=O)[C@H](OC(C)=O)[C@H](c2ccc(OC)cc2)Sc2ccccc21"
"2864","ZINC000005167145","ZINC5167145","Pregnenolone Sulfate","CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2865","ZINC000005167162","ZINC5167162","6-Beta-Hydroxyprogesterone","CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"2866","ZINC000005167248","ZINC5167248","17-Hydroxypregnenolone Sulfate","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2867","ZINC000005167249","ZINC5167249","17-Hydroxypregnenolone Sulfate","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2868","ZINC000005178939","ZINC5178939"," ","OC[C@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O"
"2869","ZINC000005179119","ZINC5179119","Sulfacetamide","C/C(O)=N/S(=O)(=O)c1ccc(N)cc1"
"2870","ZINC000005181060","ZINC5181060","Aldoifosfamide","O=[P@]1(NCCCl)OCC[C@@H](O)N1CCCl"
"2871","ZINC000005181061","ZINC5181061","Aldoifosfamide","O=[P@@]1(NCCCl)OCC[C@@H](O)N1CCCl"
"2872","ZINC000005187769","ZINC5187769","2,4,6(1h,3h,5h)-Pyrimidinetrione","O=C1CC(=O)NC(O)=N1"
"2873","ZINC000005191096","ZINC5191096","Erdosteine","O=C(O)CSCC(=O)N[C@@H]1CCSC1=O"
"2874","ZINC000005197198","ZINC5197198","Paracetamol Glucuronide","CC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"
"2875","ZINC000005197214","ZINC5197214","Acetaminophen Cystein","CC(=O)Nc1ccc(SC[C@H](N)C(=O)O)cc1"
"2876","ZINC000005224188","ZINC5224188","Dmso","CS(C)=O"
"2877","ZINC000005225520","ZINC5225520"," ","OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO"
"2878","ZINC000005239470","ZINC5239470","Nnk","CN(CCCC(=O)c1cccnc1)N=O"
"2879","ZINC000005279694","ZINC5279694","Pemoline","NC1=NC(=O)[C@@H](c2ccccc2)O1"
"2880","ZINC000005316843","ZINC5316843","Cinitapride","CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CC=CCC2)CC1"
"2881","ZINC000005320256","ZINC5320256","Cyamemazine","C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccc(C#N)cc21"
"2882","ZINC000005350905","ZINC5350905","N-Desmethylterbinafine","CC(C)(C)C#C/C=C/CNCc1cccc2ccccc12"
"2883","ZINC000005352878","ZINC5352878","8-Hydroxycarteolol","CC(C)(C)NC[C@H](O)COc1ccc(O)c2c1CCC(O)=N2"
"2884","ZINC000005352943","ZINC5352943","Tertatolol","CC(C)(C)NC[C@H](O)COc1cccc2c1SCCC2"
"2885","ZINC000005353194","ZINC5353194","8-Hydroxycarteolol","CC(C)(C)NC[C@@H](O)COc1ccc(O)c2c1CCC(O)=N2"
"2886","ZINC000005356858","ZINC5356858","Vitamin B5","CC(C)(CO)[C@H](O)C(=O)NCCC(=O)O"
"2887","ZINC000005356910","ZINC5356910","Pantothenate","CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O"
"2888","ZINC000005360194","ZINC5360194","Isovalerylglucuronide","CC(C)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"2889","ZINC000005419310","ZINC5419310","1'-Oxide Nicotine","C[N+]1([O-])CCC[C@H]1c1cccnc1"
"2890","ZINC000005419315","ZINC5419315","Nicotine Imine","C[N+]1=CCC[C@@H]1c1cccnc1"
"2891","ZINC000005421253","ZINC5421253","Sulfabenzamide","Nc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1"
"2892","ZINC000005423072","ZINC5423072","5'-Hydroxylornoxicam","CN1C(C(=O)Nc2ccc(O)cn2)=C(O)c2sc(Cl)cc2S1(=O)=O"
"2893","ZINC000005424275","ZINC5424275","Albendazole Sulfone","CCCS(=O)(=O)c1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1"
"2894","ZINC000005425173","ZINC5425173"," ","Cn1c(=O)c2c(ncn2CCOC(=O)c2cccnc2)n(C)c1=O"
"2895","ZINC000005434436","ZINC5434436","Gestageno","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2896","ZINC000005442134","ZINC5442134","Nipradilol","CC(C)NC[C@H](O)COc1cccc2c1OC[C@H](O[N+](=O)[O-])C2"
"2897","ZINC000005442135","ZINC5442135","Nipradilol","CC(C)NC[C@H](O)COc1cccc2c1OC[C@@H](O[N+](=O)[O-])C2"
"2898","ZINC000005442195","ZINC5442195","Nipradilol","CC(C)NC[C@@H](O)COc1cccc2c1OC[C@H](O[N+](=O)[O-])C2"
"2899","ZINC000005456939","ZINC5456939","Retin-A","CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)O)C(C)(C)CCC1"
"2900","ZINC000005459684","ZINC5459684"," ","CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C"
"2901","ZINC000005459685","ZINC5459685"," ","CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"2902","ZINC000005497532","ZINC5497532","Methenolone","CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C"
"2903","ZINC000005508997","ZINC5508997","Metharbital","CCC1(CC)C(=O)NC(=O)N(C)C1=O"
"2904","ZINC000005509740","ZINC5509740","Vpag","CCCC(CCC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"2905","ZINC000005513434","ZINC5513434"," ","CCCCC[C@@H](O)CC[C@@H]1[C@@H](O)C[C@H]2Cc3c(cccc3OCC(=O)O)C[C@@H]12"
"2906","ZINC000005513515","ZINC5513515","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1C[C@@H](O)C(C)=C[C@H]21"
"2907","ZINC000005513516","ZINC5513516","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1C[C@@H](O)C(C)=C[C@@H]21"
"2908","ZINC000005513518","ZINC5513518","8-Beta-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](O)C(C)=C[C@H]21"
"2909","ZINC000005513519","ZINC5513519","8-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1C[C@@H](O)C(C)=C[C@@H]21"
"2910","ZINC000005514225","ZINC5514225","Febarbamate","CCCCOC[C@@H](CN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O)OC(N)=O"
"2911","ZINC000005514227","ZINC5514227","Febarbamate","CCCCOC[C@@H](CN1C(=O)NC(=O)[C@@](CC)(c2ccccc2)C1=O)OC(N)=O"
"2912","ZINC000005514233","ZINC5514233","Febarbamate","CCCCOC[C@H](CN1C(=O)NC(=O)[C@](CC)(c2ccccc2)C1=O)OC(N)=O"
"2913","ZINC000005514900","ZINC5514900","Butethal","CCCCC1(CC)C(=O)NC(=O)NC1=O"
"2914","ZINC000005517457","ZINC5517457","Norketotifen","O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21"
"2915","ZINC000005599377","ZINC5599377","4'-Hydroxy-R-Phenprocoumon","CC[C@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O"
"2916","ZINC000005650070","ZINC5650070"," ","CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC"
"2917","ZINC000005650754","ZINC5650754","Suplatast","CCOC[C@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1"
"2918","ZINC000005651045","ZINC5651045","Noracymethadol","CC[C@H](OC(C)=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1"
"2919","ZINC000005651105","ZINC5651105","Talbutal","C=CCC1([C@H](C)CC)C(=O)NC(=O)NC1=O"
"2920","ZINC000005651368","ZINC5651368","Noracymethadol","CC[C@@H](OC(C)=O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1"
"2921","ZINC000005651370","ZINC5651370","Noracymethadol","CC[C@@H](OC(C)=O)C(C[C@H](C)NC)(c1ccccc1)c1ccccc1"
"2922","ZINC000005651434","ZINC5651434","Talbutal","C=CCC1([C@@H](C)CC)C(=O)NC(=O)NC1=O"
"2923","ZINC000005651594","ZINC5651594","Medapan","CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O"
"2924","ZINC000005699865","ZINC5699865","Alpha-Oxycodol","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314"
"2925","ZINC000005733652","ZINC5733652","Diosmetin","COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O"
"2926","ZINC000005735960","ZINC5735960","6-Beta-Hydroxydexamethasone","C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2927","ZINC000005736075","ZINC5736075"," ","C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[C@@H](C(=O)N(C)C)N3)[C@H](C)[C@H]12"
"2928","ZINC000005752185","ZINC5752185"," ","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl"
"2929","ZINC000005752191","ZINC5752191","Psorcon","C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"2930","ZINC000005759845","ZINC5759845"," ","COc1cc2c(cc1OC)[C@@H]1C[C@H](O)[C@H](CC(C)C)CN1CC2"
"2931","ZINC000005760071","ZINC5760071","B-Dihydrotetrabenazine","COc1cc2c(cc1OC)[C@@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2"
"2932","ZINC000005760151","ZINC5760151","Ibuprofen Glucuronide","CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"
"2933","ZINC000005760164","ZINC5760164","Ibuprofen Glucuronide","CC(C)Cc1ccc([C@H](C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"
"2934","ZINC000005760453","ZINC5760453","4'-Hydroxypropanolol","CC(C)NC[C@H](O)COc1ccc(O)c2ccccc12"
"2935","ZINC000005760466","ZINC5760466","Alpha-Hydroxymetoprolol","COC[C@@H](O)c1ccc(OC[C@@H](O)CNC(C)C)cc1"
"2936","ZINC000005760468","ZINC5760468","Alpha-Hydroxymetoprolol","COC[C@H](O)c1ccc(OC[C@@H](O)CNC(C)C)cc1"
"2937","ZINC000005760474","ZINC5760474","4-Hydroxy-Alprenolol","C=CCc1cc(O)ccc1OC[C@@H](O)CNC(C)C"
"2938","ZINC000005760499","ZINC5760499","Orciprenaline-3-O-Sulfate","CC(C)NC[C@H](O)c1cc(O)cc(OS(=O)(=O)O)c1"
"2939","ZINC000005760515","ZINC5760515","4'-Hydroxypropanolol","CC(C)NC[C@@H](O)COc1ccc(O)c2ccccc12"
"2940","ZINC000005760531","ZINC5760531","Alpha-Hydroxymetoprolol","COC[C@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1"
"2941","ZINC000005760534","ZINC5760534","4-Hydroxy-Alprenolol","C=CCc1cc(O)ccc1OC[C@H](O)CNC(C)C"
"2942","ZINC000005760560","ZINC5760560","Orciprenaline-3-O-Sulfate","CC(C)NC[C@@H](O)c1cc(O)cc(OS(=O)(=O)O)c1"
"2943","ZINC000005761248","ZINC5761248","Verapamil Metabolite D-617","CNCCC[C@](C#N)(c1ccc(OC)c(OC)c1)C(C)C"
"2944","ZINC000005761473","ZINC5761473","Verapamil Metabolite D-617","CNCCC[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C"
"2945","ZINC000005761797","ZINC5761797","Parecoxib","CC/C(O)=N/S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1"
"2946","ZINC000005762010","ZINC5762010","Dimethadione","CC1(C)OC(=O)NC1=O"
"2947","ZINC000005763835","ZINC5763835","Provera","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"2948","ZINC000005764335","ZINC5764335"," ","C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"
"2949","ZINC000005764428","ZINC5764428","2-Hydroxyethinylestradiol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@@]21C"
"2950","ZINC000005764534","ZINC5764534","6beta-Hydroxytestosterone","C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"2951","ZINC000005764759","ZINC5764759","Methylnaltrexone","C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"
"2952","ZINC000005768112","ZINC5768112","Noralfentanil","CCC(=O)N(c1ccccc1)C1(COC)CCNCC1"
"2953","ZINC000005782275","ZINC5782275","Toloxatone","Cc1cccc(N2C[C@@H](CO)OC2=O)c1"
"2954","ZINC000005783214","ZINC5783214","Pemirolast","Cc1cccn2c(=O)c(-c3nn[nH]n3)cnc12"
"2955","ZINC000005783565","ZINC5783565","7,9-Dimethyluric Acid","Cn1c(=O)n(C)c2c(=O)[nH]c(O)nc21"
"2956","ZINC000005783661","ZINC5783661","Gkr","O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O"
"2957","ZINC000005783849","ZINC5783849","4-Chloro-5-Sulfamoylanthranilic Acid","Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O"
"2958","ZINC000005785445","ZINC5785445","Terizidone","O=C1NOC[C@H]1/N=C/c1ccc(/C=N/[C@@H]2CONC2=O)cc1"
"2959","ZINC000005819214","ZINC5819214","Rapivab","CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N"
"2960","ZINC000005821085","ZINC5821085","9-Alpha,10-Alpha-Epoxyhexahydrocannabinol","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC[C@]3(C)O[C@@H]3[C@H]21"
"2961","ZINC000005821089","ZINC5821089","9-Alpha,10-Alpha-Epoxyhexahydrocannabinol","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC[C@]3(C)O[C@@H]3[C@@H]21"
"2962","ZINC000005821094","ZINC5821094"," ","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@]3(C)O[C@@H]3[C@H]21"
"2963","ZINC000005821102","ZINC5821102","9-Alpha,10-Alpha-Epoxyhexahydrocannabinol","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@]3(C)O[C@@H]3[C@@H]21"
"2964","ZINC000005821325","ZINC5821325"," ","CCCCNC[C@H](O)COc1cc(C(=O)O)ccc1Cl"
"2965","ZINC000005821332","ZINC5821332"," ","CCCCNC[C@@H](O)COc1cc(C(=O)O)ccc1Cl"
"2966","ZINC000005834183","ZINC5834183"," ","CCCN1C[C@@H](NS(=O)(=O)NCC)C[C@@H]2Cc3c(O)cccc3C[C@H]21"
"2967","ZINC000005834731","ZINC5834731","5-Hydroxypropafenone","CCCNC[C@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1"
"2968","ZINC000005834799","ZINC5834799","5-Hydroxypropafenone","CCCNC[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1"
"2969","ZINC000005837443","ZINC5837443","3-Oxovalproic Acid","CCC[C@H](C(=O)O)C(=O)CC"
"2970","ZINC000005838479","ZINC5838479","2-Propylglutaric Acid","CCC[C@@H](CCC(=O)O)C(=O)O"
"2971","ZINC000005838789","ZINC5838789","5-Oh-Vpa","CCC[C@@H](CCCO)C(=O)O"
"2972","ZINC000005838947","ZINC5838947","4-Oh-Vpa","CCC[C@@H](C[C@@H](C)O)C(=O)O"
"2973","ZINC000005838977","ZINC5838977","4-Oh-Vpa","CCC[C@@H](C[C@H](C)O)C(=O)O"
"2974","ZINC000005839270","ZINC5839270","3-Oh-Vpa","CCC[C@H](C(=O)O)[C@H](O)CC"
"2975","ZINC000005839426","ZINC5839426","3-Oh-Vpa","CCC[C@H](C(=O)O)[C@@H](O)CC"
"2976","ZINC000005840520","ZINC5840520","Incadronate","O=P(O)(O)C(NC1CCCCC1)P(=O)(O)O"
"2977","ZINC000005840786","ZINC5840786","(3e)-2-Propylpent-3-Enoic Acid","C/C=C/[C@@H](CCC)C(=O)O"
"2978","ZINC000005841914","ZINC5841914","4-En-Metabolite","C=CC[C@@H](CCC)C(=O)O"
"2979","ZINC000005842326","ZINC5842326","4-Oh-Vpa","CCC[C@H](C[C@H](C)O)C(=O)O"
"2980","ZINC000005842751","ZINC5842751","3-Oh-Vpa","CCC[C@@H](C(=O)O)[C@@H](O)CC"
"2981","ZINC000005843546","ZINC5843546","Diart","NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl"
"2982","ZINC000005844788","ZINC5844788"," ","O[C@@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"
"2983","ZINC000005844792","ZINC5844792","Nebivolol","O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"
"2984","ZINC000005845717","ZINC5845717","Diethylcarbamazine N-Oxide","CCN(CC)C(=O)N1CC[N+](C)([O-])CC1"
"2985","ZINC000005846414","ZINC5846414","3-Hydroxylidocaine","CCN(CC)CC(=O)Nc1c(C)ccc(O)c1C"
"2986","ZINC000005847320","ZINC5847320","N-Acetyl-3-Hydroxyprocainamide","CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(O)c1"
"2987","ZINC000005850277","ZINC5850277","Piperazine","C1CNCCN1"
"2988","ZINC000005850754","ZINC5850754","Bentazepam","O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1"
"2989","ZINC000005850903","ZINC5850903"," ","CN1CCN(c2c(F)cc3c(c2F)[C@@H](CCF)C=C(C(=O)O)C3=O)CC1"
"2990","ZINC000005851063","ZINC5851063","Phenformin","NC(N)=N/C(N)=N\CCc1ccccc1"
"2991","ZINC000005852926","ZINC5852926","N-Desethyloxybutynin","CCNCC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1"
"2992","ZINC000005861416","ZINC5861416","Ethylglucuronide","CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"2993","ZINC000005888085","ZINC5888085","N-{2-[4-(3-Amino-Pyridin-2-Yl)-Piperazine-1-Carbonyl]-1h-Indol-5-Yl}-Methanesulfonamide","CS(=O)(=O)Nc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4N)CC3)cc2c1"
"2994","ZINC000005920286","ZINC5920286","Alora","C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O"
"2995","ZINC000005920311","ZINC5920311","Alora","C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O"
"2996","ZINC000005921965","ZINC5921965","Dinor-Levomethadyl Acetate","CC[C@H](OC(C)=O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1"
"2997","ZINC000005921967","ZINC5921967","Dinor-Laam","CC[C@H](OC(C)=O)C(C[C@H](C)N)(c1ccccc1)c1ccccc1"
"2998","ZINC000005922744","ZINC5922744","Deoxydihydro-Artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4"
"2999","ZINC000005922746","ZINC5922746","Deoxydihydro-Artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4"
"3000","ZINC000005923859","ZINC5923859","4'-Hydroxymephenytoin","CC[C@@]1(c2ccc(O)cc2)NC(=O)N(C)C1=O"
"3001","ZINC000005924265","ZINC5924265","Tizoxanide","O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O"
"3002","ZINC000005924342","ZINC5924342","Dinor-Levomethadyl Acetate","CC[C@@H](OC(C)=O)C(C[C@@H](C)N)(c1ccccc1)c1ccccc1"
"3003","ZINC000005924345","ZINC5924345","Dinor-Levomethadyl Acetate","CC[C@@H](OC(C)=O)C(C[C@H](C)N)(c1ccccc1)c1ccccc1"
"3004","ZINC000005933760","ZINC5933760","12-Hydroxynevirapine","O=C1Nc2c(CO)ccnc2N(C2CC2)c2ncccc21"
"3005","ZINC000005933892","ZINC5933892","Norclobazam","O=C1CC(=O)N(c2ccccc2)c2cc(Cl)ccc2N1"
"3006","ZINC000005934232","ZINC5934232","Ritalinic Acid","O=C(O)[C@@H](c1ccccc1)[C@H]1CCCCN1"
"3007","ZINC000005934430","ZINC5934430","Ritalinic Acid","O=C(O)[C@H](c1ccccc1)[C@@H]1CCCCN1"
"3008","ZINC000005934432","ZINC5934432","Ritalinic Acid","O=C(O)[C@H](c1ccccc1)[C@H]1CCCCN1"
"3009","ZINC000005957009","ZINC5957009","Hydroxynalidixic Acid","CCn1cc(C(=O)O)c(=O)c2ccc(CO)nc21"
"3010","ZINC000005958019","ZINC5958019","O-Desmethyltramadol","CN(C)C[C@@H]1CCCC[C@]1(O)c1cccc(O)c1"
"3011","ZINC000005958052","ZINC5958052","O-Desmethyltramadol","CN(C)C[C@H]1CCCC[C@@]1(O)c1cccc(O)c1"
"3012","ZINC000005966735","ZINC5966735","Nordihydroisomorphine","CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"3013","ZINC000005967015","ZINC5967015","10-Alpha-Methoxy-9,10-Dihydrolysergol","CO[C@@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13"
"3014","ZINC000005967031","ZINC5967031","10-Alpha-Methoxy-9,10-Dihydrolysergol","CO[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13"
"3015","ZINC000005967123","ZINC5967123","Cotinine-N-Oxide","CN1C(=O)CC[C@H]1c1ccc[n+]([O-])c1"
"3016","ZINC000005975487","ZINC5975487","Dea","OCCNCCO"
"3017","ZINC000005978046","ZINC5978046","6,15-Diketo-13,14-Dihydro-Pgf1a","CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O"
"3018","ZINC000005996320","ZINC5996320","Demethyl-Citalopram","CNCCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"3019","ZINC000005996324","ZINC5996324","Demethyl-Citalopram","CNCCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"3020","ZINC000006005366","ZINC6005366","Norverapamil","COc1ccc(CCNCCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"
"3021","ZINC000006010196","ZINC6010196","Beta-Oxymorphol","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@@]3(O)[C@H]1C5"
"3022","ZINC000006019305","ZINC6019305","1-Hydroxycarvedilol","COc1ccccc1OCCNC[C@H](O)COc1ccc(O)c2[nH]c3ccccc3c12"
"3023","ZINC000006019312","ZINC6019312","Beta-(2-Methoxyphenoxy)-Lactic Acid","COc1ccccc1OC[C@H](O)C(=O)O"
"3024","ZINC000006019314","ZINC6019314","Beta-(2-Methoxyphenoxy)-Lactic Acid","COc1ccccc1OC[C@@H](O)C(=O)O"
"3025","ZINC000006019913","ZINC6019913","Alpha-Hydroxytamoxifen","C[C@H](O)/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"
"3026","ZINC000006021033","ZINC6021033","Amphetamine","C[C@H](N)Cc1ccccc1"
"3027","ZINC000006021043","ZINC6021043","Ice","CN[C@@H](C)Cc1ccccc1"
"3028","ZINC000006030312","ZINC6030312","4'-Hydroxyflurbiprofen","C[C@H](C(=O)O)c1ccc(-c2ccc(O)cc2)c(F)c1"
"3029","ZINC000006030359","ZINC6030359","Naproxen O-Glucuronide","COc1ccc2cc([C@H](C)C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1"
"3030","ZINC000006030608","ZINC6030608","Deoxyartemsinin","C[C@@H]1C=C[C@@H]2[C@@H](C)C(=O)O[C@H]3O[C@](C)(O)CC[C@@H]1[C@H]23"
"3031","ZINC000006030609","ZINC6030609","Deoxyartemsinin","C[C@@H]1C=C[C@H]2[C@@H]3[C@H]1CC[C@@](C)(O)O[C@@H]3OC(=O)[C@@H]2C"
"3032","ZINC000006031944","ZINC6031944","Norbuprenorphine","CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5"
"3033","ZINC000006032027","ZINC6032027","3'-Hydroxyhexobarbital","CN1C(=O)NC(=O)[C@](C)(C2=C[C@H](O)CCC2)C1=O"
"3034","ZINC000006032028","ZINC6032028","3'-Hydroxyhexobarbital","CN1C(=O)NC(=O)[C@](C)(C2=C[C@@H](O)CCC2)C1=O"
"3035","ZINC000006032030","ZINC6032030","Epoxy-Hexobarbital","CN1C(=O)NC(=O)[C@](C)([C@@]23CCCC[C@@H]2O3)C1=O"
"3036","ZINC000006036811","ZINC6036811","Fenpropidin","C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1"
"3037","ZINC000006036847","ZINC6036847","Amphetamine","C[C@@H](N)Cc1ccccc1"
"3038","ZINC000006037085","ZINC6037085","4'-Hydroxyflurbiprofen","C[C@@H](C(=O)O)c1ccc(-c2ccc(O)cc2)c(F)c1"
"3039","ZINC000006037092","ZINC6037092","Pelubiprofen","C[C@@H](C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1"
"3040","ZINC000006037131","ZINC6037131","O-Desmethylnaproxen","C[C@@H](C(=O)O)c1ccc2cc(O)ccc2c1"
"3041","ZINC000006050663","ZINC6050663","Propionate","CCC(=O)O"
"3042","ZINC000006067251","ZINC6067251","3'-Hydroxyhexobarbital","CN1C(=O)NC(=O)[C@@](C)(C2=C[C@H](O)CCC2)C1=O"
"3043","ZINC000006067252","ZINC6067252","3'-Hydroxyhexobarbital","CN1C(=O)NC(=O)[C@@](C)(C2=C[C@@H](O)CCC2)C1=O"
"3044","ZINC000006067254","ZINC6067254","Epoxy-Hexobarbital","CN1C(=O)NC(=O)[C@@](C)([C@@]23CCCC[C@@H]2O3)C1=O"
"3045","ZINC000006067554","ZINC6067554","Dht-Sulfate","C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12"
"3046","ZINC000006067668","ZINC6067668"," ","C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]([C@@H]3COC(=O)C3)CC[C@]12O"
"3047","ZINC000006067779","ZINC6067779","Andros-S","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CCC2=O"
"3048","ZINC000006067916","ZINC6067916","Testosterone Sulfate","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OS(=O)(=O)O"
"3049","ZINC000006067922","ZINC6067922","17-Hydroxymethylethisterone","C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C"
"3050","ZINC000006067936","ZINC6067936","17-Hydroxymethylethisterone","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@@]21C"
"3051","ZINC000006068248","ZINC6068248","Nopiclone N-Oxide","C[N+]1([O-])CCN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"
"3052","ZINC000006068249","ZINC6068249","Nopiclone N-Oxide","C[N+]1([O-])CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"
"3053","ZINC000006068955","ZINC6068955","O-Desmethylindomethacin","Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1"
"3054","ZINC000006069509","ZINC6069509","3'-Amino-3'-Deoxythimidine","Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O"
"3055","ZINC000006070005","ZINC6070005","P-Hydroxymexiletine","Cc1cc(O)cc(C)c1OC[C@@H](C)N"
"3056","ZINC000006070006","ZINC6070006","P-Hydroxymexiletine","Cc1cc(O)cc(C)c1OC[C@H](C)N"
"3057","ZINC000006071738","ZINC6071738","2-Hydroxymexiletine","Cc1cccc(CO)c1OC[C@@H](C)N"
"3058","ZINC000006071742","ZINC6071742","2-Hydroxymexiletine","Cc1cccc(CO)c1OC[C@H](C)N"
"3059","ZINC000006072259","ZINC6072259","3-Hydroxymethylantipyrine","Cn1c(CO)cc(=O)n1-c1ccccc1"
"3060","ZINC000006072466","ZINC6072466","Pam","CCCCCCCCCCCCCCCC(=O)O"
"3061","ZINC000006090979","ZINC6090979","5-Carboxy-2'-Deoxyuridine","O=C(O)c1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O"
"3062","ZINC000006091208","ZINC6091208","4-Hydroxyclonidine","Oc1cc(Cl)c(NC2=NCCN2)c(Cl)c1"
"3063","ZINC000006091878","ZINC6091878","Dopa Sulfate","N[C@@H](Cc1ccc(O)c(OS(=O)(=O)O)c1)C(=O)O"
"3064","ZINC000006092086","ZINC6092086","Meta-O-Dealkylated Flecainide","O=C(NC[C@@H]1CCCCN1)c1cc(O)ccc1OCC(F)(F)F"
"3065","ZINC000006092087","ZINC6092087","Meta-O-Dealkylated Flecainide","O=C(NC[C@H]1CCCCN1)c1cc(O)ccc1OCC(F)(F)F"
"3066","ZINC000006092145","ZINC6092145","Noradrenaline Sulfate","NC[C@H](O)c1ccc(OS(=O)(=O)O)c(O)c1"
"3067","ZINC000006092801","ZINC6092801","Haloperidol 1,2,3,6-Tetrahydropyridine","O=C(CCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"3068","ZINC000006093242","ZINC6093242","Didemethylcitalopram","N#Cc1ccc2c(c1)CO[C@]2(CCCN)c1ccc(F)cc1"
"3069","ZINC000006093314","ZINC6093314","Didemethylcitalopram","N#Cc1ccc2c(c1)CO[C@@]2(CCCN)c1ccc(F)cc1"
"3070","ZINC000006093393","ZINC6093393","5-Hydroxydantrolene","O=C1N=C(O)[C@@H](O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1"
"3071","ZINC000006093464","ZINC6093464","N-Desmethylzopiclone","O=C(O[C@@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1"
"3072","ZINC000006093465","ZINC6093465","N-Desmethylzopiclone","O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1"
"3073","ZINC000006093534","ZINC6093534","Aminofurantoin","Nc1ccc(/C=N/N2CC(=O)NC2=O)o1"
"3074","ZINC000006093932","ZINC6093932"," ","O=C(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12"
"3075","ZINC000006094127","ZINC6094127","7-Hydroxyamoxapine","Oc1ccc2c(c1)Oc1ccc(Cl)cc1C(N1CCNCC1)=N2"
"3076","ZINC000006094354","ZINC6094354","Aloxi","O=C1c2cccc3c2[C@@H](CCC3)CN1[C@@H]1CN2CCC1CC2"
"3077","ZINC000006095281","ZINC6095281"," ","O=C(O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl"
"3078","ZINC000006095839","ZINC6095839"," ","O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1"
"3079","ZINC000006095847","ZINC6095847"," ","O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1"
"3080","ZINC000006096129","ZINC6096129","N-Depropylpropafenone","NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1"
"3081","ZINC000006096132","ZINC6096132","N-Depropylpropafenone","NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1"
"3082","ZINC000006116332","ZINC6116332","Phenytoin Dihydrodiol","O=C1NC(=O)[C@@](C2=C[C@H](O)[C@H](O)C=C2)(c2ccccc2)N1"
"3083","ZINC000006116333","ZINC6116333","Phenytoin Dihydrodiol","O=C1NC(=O)[C@@](C2=C[C@@H](O)[C@H](O)C=C2)(c2ccccc2)N1"
"3084","ZINC000006116336","ZINC6116336","Phenytoin Catechol","O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1"
"3085","ZINC000006116532","ZINC6116532","3',4'-Dihydrodiol","O=C1NC(=O)[C@](C2=C[C@H](O)[C@H](O)C=C2)(c2ccccc2)N1"
"3086","ZINC000006116533","ZINC6116533","3',4'-Dihydrodiol","O=C1NC(=O)[C@](C2=C[C@@H](O)[C@H](O)C=C2)(c2ccccc2)N1"
"3087","ZINC000006116536","ZINC6116536","Phenytoin Catechol","O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1"
"3088","ZINC000006117159","ZINC6117159","Demethylmaprotiline","NCCCC12CCC(c3ccccc31)c1ccccc12"
"3089","ZINC000006117169","ZINC6117169"," ","C1=Cc2ccccc2NN=C1"
"3090","ZINC000006117174","ZINC6117174","2-Hydroxycarbamazepine","NC(=O)N1c2ccccc2C=Cc2cc(O)ccc21"
"3091","ZINC000006117175","ZINC6117175","3-Hydroxycarbamazepine","NC(=O)N1c2ccccc2C=Cc2ccc(O)cc21"
"3092","ZINC000006117307","ZINC6117307","Desmethylnortriptyline","NCCC=C1c2ccccc2CCc2ccccc21"
"3093","ZINC000006117444","ZINC6117444","Norsertraline","N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"
"3094","ZINC000006117750","ZINC6117750","Desmethylazelastine","O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCCNCC1"
"3095","ZINC000006117751","ZINC6117751","Desmethylazelastine","O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCCNCC1"
"3096","ZINC000006119299","ZINC6119299","9-Carboxymethoxymethylguanine","Nc1nc(O)c2ncn(COCC(=O)O)c2n1"
"3097","ZINC000006165883","ZINC6165883","Actarit","CC(=O)Nc1ccc(CC(=O)O)cc1"
"3098","ZINC000006344064","ZINC6344064","Hippurate","O=C(O)CNC(=O)c1ccccc1"
"3099","ZINC000006382803","ZINC6382803"," ","Nc1nc2nc[nH]c2c(=S)[nH]1"
"3100","ZINC000006409735","ZINC6409735","Clioquinol","Oc1c(I)cc(Cl)c2cccnc12"
"3101","ZINC000006467621","ZINC6467621","Ensulizole","O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1"
"3102","ZINC000006507052","ZINC6507052"," ","CN(CCO)C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C"
"3103","ZINC000006507065","ZINC6507065","Audes","C[N+](C)(C)CCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O"
"3104","ZINC000006524885","ZINC6524885","Lamivudine Sulfoxide","Nc1ccn([C@H]2C[S@@](=O)[C@@H](CO)O2)c(=O)n1"
"3105","ZINC000006524886","ZINC6524886","Lamivudine Sulfoxide","Nc1ccn([C@H]2C[S@](=O)[C@@H](CO)O2)c(=O)n1"
"3106","ZINC000006534965","ZINC6534965","3-Hydroxyhippurate","O=C(O)CNC(=O)c1cccc(O)c1"
"3107","ZINC000006627681","ZINC6627681","Trimethoprim","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC"
"3108","ZINC000006655356","ZINC6655356"," ","CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](N=C(N)N)C[C@H](C(=O)O)[C@@H]1O"
"3109","ZINC000006655357","ZINC6655357"," ","CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N=C(N)N)C[C@H](C(=O)O)[C@@H]1O"
"3110","ZINC000006661227","ZINC6661227","Histidine","N[C@@H](Cc1c[nH]cn1)C(=O)O"
"3111","ZINC000006716957","ZINC6716957","Nilotinib","Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1"
"3112","ZINC000006733300","ZINC6733300","Lorcaserin","C[C@H]1CNCCc2ccc(Cl)cc21"
"3113","ZINC000006745272","ZINC6745272","Stivarga","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1"
"3114","ZINC000006827595","ZINC6827595","Iodoform","IC(I)I"
"3115","ZINC000006827693","ZINC6827693","Carbonate","O=C(O)O"
"3116","ZINC000006827695","ZINC6827695"," ","O=P(O)(O)OP(=O)(O)O"
"3117","ZINC000006827705","ZINC6827705","Perflexane","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
"3118","ZINC000006845076","ZINC6845076","B-Carotene","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1"
"3119","ZINC000006845654","ZINC6845654","S.t.d.","CCCCCCCCCCCCCCOS(=O)(=O)O"
"3120","ZINC000006845860","ZINC6845860","Oleate","CCCCCCCC/C=C\CCCCCCCC(=O)O"
"3121","ZINC000006845963","ZINC6845963","Cetylpyridinium","CCCCCCCCCCCCCCCC[n+]1ccccc1"
"3122","ZINC000006845992","ZINC6845992","Domiphen","CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1"
"3123","ZINC000006846023","ZINC6846023","Cetrimonium","CCCCCCCCCCCCCCCC[N+](C)(C)C"
"3124","ZINC000006858022","ZINC6858022","Cholic Acid","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O"
"3125","ZINC000006920384","ZINC6920384","Abreva","CCCCCCCCCCCCCCCCCCCCCCO"
"3126","ZINC000006920404","ZINC6920404","Maltotriose","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3127","ZINC000007997568","ZINC7997568","Macrobid","O=C1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)N1"
"3128","ZINC000007997571","ZINC7997571"," ","O=C1OCCN1/N=C\c1ccc([N+](=O)[O-])o1"
"3129","ZINC000007997897","ZINC7997897","Naftin","CN(C/C=C\c1ccccc1)Cc1cccc2ccccc12"
"3130","ZINC000007997905","ZINC7997905","Sulmazole","COc1cc([S@@](C)=O)ccc1-c1nc2ncccc2[nH]1"
"3131","ZINC000007997952","ZINC7997952","Doxylamine","CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1"
"3132","ZINC000007997966","ZINC7997966"," ","O=C1CN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=N1"
"3133","ZINC000008015016","ZINC8015016","Medronic Acid","O=P(O)(O)CP(=O)(O)O"
"3134","ZINC000008034120","ZINC8034120"," ","NC(=O)NO"
"3135","ZINC000008034121","ZINC8034121","Cysteamine","NCCS"
"3136","ZINC000008035017","ZINC8035017","Pea","CCCCCCCCCCCCCCCC(=O)NCCO"
"3137","ZINC000008035268","ZINC8035268","Thonzonium","CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1"
"3138","ZINC000008035377","ZINC8035377","Iohexol","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"3139","ZINC000008035395","ZINC8035395","Ioversol","O=C(NC[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I"
"3140","ZINC000008099545","ZINC8099545","Zimeldine","CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1"
"3141","ZINC000008101082","ZINC8101082","Tetranitrin","O=[N+]([O-])OC[C@@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]"
"3142","ZINC000008101083","ZINC8101083","Tetranitrin","O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]"
"3143","ZINC000008101109","ZINC8101109","Foscarnet","O=C(O)P(=O)(O)O"
"3144","ZINC000008101114","ZINC8101114"," ","CN[C@@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@@H](NC)[C@H]3O)[C@@H]2O)O1"
"3145","ZINC000008101115","ZINC8101115"," ","CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@H]([C@@H](C)NC)CC[C@@H]3N)[C@H]2O)OC[C@]1(C)O"
"3146","ZINC000008101116","ZINC8101116"," ","CN[C@@H](C)[C@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@@H](NC)[C@H]3O)[C@@H]2O)O1"
"3147","ZINC000008101117","ZINC8101117"," ","CN[C@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3O[C@@H]([C@@H](C)NC)CC[C@@H]3N)[C@H]2O)OC[C@]1(C)O"
"3148","ZINC000008101126","ZINC8101126","Guanidine","N=C(N)N"
"3149","ZINC000008101127","ZINC8101127","Indocyanine Green","CC1(C)C(C=C/C=C\C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21"
"3150","ZINC000008101167","ZINC8101167","Pentaerithrityl Tetranitrate","O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]"
"3151","ZINC000008132748","ZINC8132748","Mephentermine","CNC(C)(C)Cc1ccccc1"
"3152","ZINC000008143541","ZINC8143541","Gentamicin","CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1"
"3153","ZINC000008143614","ZINC8143614"," ","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O"
"3154","ZINC000008143723","ZINC8143723"," ","CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I"
"3155","ZINC000008143788","ZINC8143788","(+)-Artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4"
"3156","ZINC000008143796","ZINC8143796"," ","CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O"
"3157","ZINC000008143864","ZINC8143864","Ioversol","O=C(NC[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I"
"3158","ZINC000008143866","ZINC8143866","Ioversol","O=C(NC[C@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I"
"3159","ZINC000008144601","ZINC8144601","Oxmetidine","Cc1[nH]cnc1CSCCNc1ncc(Cc2ccc3c(c2)OCO3)c(=O)[nH]1"
"3160","ZINC000008214360","ZINC8214360","Artemotil","CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3"
"3161","ZINC000008214363","ZINC8214363"," ","CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3"
"3162","ZINC000008214373","ZINC8214373","Dppc","CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC"
"3163","ZINC000008214383","ZINC8214383","Dibekacin","NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1"
"3164","ZINC000008214397","ZINC8214397","Halothan","FC(F)(F)[C@@H](Cl)Br"
"3165","ZINC000008214402","ZINC8214402","Ibutilide","CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1"
"3166","ZINC000008214407","ZINC8214407","Iobitridol","CN(C[C@H](O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)C[C@H](O)CO)c1I"
"3167","ZINC000008214413","ZINC8214413","Iomeprol","CN(C(=O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"3168","ZINC000008214414","ZINC8214414"," ","COC[C@@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"3169","ZINC000008214418","ZINC8214418","Ioxilan","CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"3170","ZINC000008214421","ZINC8214421","Lufenuron","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)[C@H](F)C(F)(F)F)cc1Cl"
"3171","ZINC000008214428","ZINC8214428","Monoctanoin","CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC"
"3172","ZINC000008214470","ZINC8214470","Vindesine","CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"
"3173","ZINC000008214483","ZINC8214483","Amikacin","NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"
"3174","ZINC000008214489","ZINC8214489"," ","C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"
"3175","ZINC000008214496","ZINC8214496","Azidocillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2[C@H]1C(=O)O"
"3176","ZINC000008214514","ZINC8214514","Urea","NC(N)=O"
"3177","ZINC000008214519","ZINC8214519","Ssd","CCCCCCCCCCCCCCCCO"
"3178","ZINC000008214535","ZINC8214535"," ","CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O"
"3179","ZINC000008214536","ZINC8214536","Decimemide","CCCCCCCCCCOc1c(OC)cc(C(N)=O)cc1OC"
"3180","ZINC000008214542","ZINC8214542","Dichlorotetrafluoroethane","FC(F)(Cl)C(F)(F)Cl"
"3181","ZINC000008214573","ZINC8214573"," ","O=S(O)(O)=S"
"3182","ZINC000008214574","ZINC8214574","Haloperidol Decanoate","CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1"
"3183","ZINC000008214585","ZINC8214585","Isepamicin","CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O"
"3184","ZINC000008214587","ZINC8214587","Dfp","CC(C)OP(=O)(F)OC(C)C"
"3185","ZINC000008214588","ZINC8214588","Bisomel","CCCCCCCCCCCCCC(=O)OC(C)C"
"3186","ZINC000008214590","ZINC8214590","Kanamycin","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3187","ZINC000008214591","ZINC8214591","Lapyrium","CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1"
"3188","ZINC000008214614","ZINC8214614","Miltefosine","CCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C"
"3189","ZINC000008214619","ZINC8214619"," ","CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C"
"3190","ZINC000008214625","ZINC8214625","Nitroglycerin","O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]"
"3191","ZINC000008214629","ZINC8214629","N-9","CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1"
"3192","ZINC000008214630","ZINC8214630","Norflurane","FCC(F)(F)F"
"3193","ZINC000008214635","ZINC8214635","Alli","CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O"
"3194","ZINC000008214644","ZINC8214644","Pentagastrin","CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"
"3195","ZINC000008214651","ZINC8214651","Definity","FC(F)(F)C(F)(F)C(F)(F)F"
"3196","ZINC000008214658","ZINC8214658","Pipotiazine","CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1"
"3197","ZINC000008214662","ZINC8214662","Polidocanol","CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO"
"3198","ZINC000008214681","ZINC8214681","Streptomycin","CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O"
"3199","ZINC000008214690","ZINC8214690","Testosterone Undecanoate","CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"3200","ZINC000008214692","ZINC8214692","Tobramycin","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O"
"3201","ZINC000008214699","ZINC8214699","Trichloroethylene","ClC=C(Cl)Cl"
"3202","ZINC000008214703","ZINC8214703","Unoprostone","CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O"
"3203","ZINC000008214943","ZINC8214943","Lycopene","CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C"
"3204","ZINC000008215403","ZINC8215403","Dpnh","NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1"
"3205","ZINC000008215434","ZINC8215434","Fad","Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C"
"3206","ZINC000008215517","ZINC8215517","Tpp","Cc1ncc(C[n+]2csc(CCO[P@@](=O)(O)OP(=O)(O)O)c2C)c(N)n1"
"3207","ZINC000008215630","ZINC8215630","Prpp","O=P(O)(O)OC[C@H]1O[C@H](O[P@@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O"
"3208","ZINC000008217338","ZINC8217338","Elaidate","CCCCCCCC/C=C/CCCCCCCC(=O)O"
"3209","ZINC000008217411","ZINC8217411"," ","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3210","ZINC000008219992","ZINC8219992"," ","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O"
"3211","ZINC000008220175","ZINC8220175"," ","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1"
"3212","ZINC000008220548","ZINC8220548"," ","CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O"
"3213","ZINC000008220699","ZINC8220699","Chloroacetaldehyde","O=CCCl"
"3214","ZINC000008220828","ZINC8220828","Halothan","FC(F)(F)[C@H](Cl)Br"
"3215","ZINC000008220878","ZINC8220878","Ibutilide","CCCCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1"
"3216","ZINC000008220909","ZINC8220909"," ","C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O"
"3217","ZINC000008221075","ZINC8221075","Octacosyl","CCCCCCCCCCCCCCCCCCCCCCCCCCCCO"
"3218","ZINC000008221225","ZINC8221225","Lutein","CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C"
"3219","ZINC000008234190","ZINC8234190"," ","CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1"
"3220","ZINC000008234383","ZINC8234383"," ","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"3221","ZINC000008234384","ZINC8234384"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"3222","ZINC000008234405","ZINC8234405"," ","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"
"3223","ZINC000008383181","ZINC8383181"," ","O=S(O)O"
"3224","ZINC000008383206","ZINC8383206","Phloretate","O=C(O)CCc1ccc(O)cc1"
"3225","ZINC000008383239","ZINC8383239","Lanoconazole","N#C/C(=C1/SC[C@H](c2ccccc2Cl)S1)n1ccnc1"
"3226","ZINC000008383240","ZINC8383240","Luzu","N#C/C(=C1/SC[C@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1"
"3227","ZINC000008403947","ZINC8403947","Phentermine","CC(C)(N)Cc1ccccc1"
"3228","ZINC000008437239","ZINC8437239","Seratrodast","CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O"
"3229","ZINC000008437287","ZINC8437287","Asclera","CCCCCCCCCCCCOCCO"
"3230","ZINC000008437540","ZINC8437540"," ","CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@H](O)CO"
"3231","ZINC000008445713","ZINC8445713"," ","CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@@H](OCCO)[C@H]1OCCO"
"3232","ZINC000008466459","ZINC8466459","Levmetamfetamine","CN[C@H](C)Cc1ccccc1"
"3233","ZINC000008551087","ZINC8551087","Coa","CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS"
"3234","ZINC000008551177","ZINC8551177","Gentamicin Mixture","CN[C@@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC[C@@](C)(O)[C@@H](NC)[C@@H]3O)[C@@H]2O)O1"
"3235","ZINC000008551178","ZINC8551178","Gentamicin Mixture","CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H]([C@@H](C)NC)CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O"
"3236","ZINC000008551179","ZINC8551179","Gentamicin Mixture","CN[C@@H](C)[C@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC[C@@](C)(O)[C@@H](NC)[C@@H]3O)[C@@H]2O)O1"
"3237","ZINC000008551180","ZINC8551180","Gentamicin Mixture","CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@@H]([C@@H](C)NC)CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O"
"3238","ZINC000008551674","ZINC8551674","17a-Estradiol 3-Glucuronide","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@H]2O"
"3239","ZINC000008551997","ZINC8551997","Cyclandelate","C[C@@H]1C[C@@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)C1"
"3240","ZINC000008551998","ZINC8551998","Cyclandelate","C[C@H]1C[C@@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)C1"
"3241","ZINC000008551999","ZINC8551999","Cyclandelate","C[C@@H]1C[C@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)C1"
"3242","ZINC000008552017","ZINC8552017","Ginkolide B","C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O"
"3243","ZINC000008552018","ZINC8552018"," ","C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@]21O"
"3244","ZINC000008552123","ZINC8552123","Tbz","COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2"
"3245","ZINC000008552159","ZINC8552159"," ","N[C@H](CCC(=O)N[C@H](CS[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O"
"3246","ZINC000008552162","ZINC8552162","E432","CCCCCCCCCCCC(=O)OCCOC[C@@H](OCCO)[C@@H]1OC[C@@H](OCCO)[C@@H]1OCCO"
"3247","ZINC000008552163","ZINC8552163","E432","CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@@H](OCCO)[C@@H]1OCCO"
"3248","ZINC000008552164","ZINC8552164","E432","CCCCCCCCCCCC(=O)OCCOC[C@@H](OCCO)[C@H]1OC[C@@H](OCCO)[C@@H]1OCCO"
"3249","ZINC000008552165","ZINC8552165","E432","CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@H]1OC[C@@H](OCCO)[C@@H]1OCCO"
"3250","ZINC000008552275","ZINC8552275","Cleocin","CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1"
"3251","ZINC000008552309","ZINC8552309","Pg(34:1)","CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](O)CO"
"3252","ZINC000008576333","ZINC8576333","Chloramine-T","Cc1ccc(S(=O)(=O)NCl)cc1"
"3253","ZINC000008577218","ZINC8577218","Pga","Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1"
"3254","ZINC000008579603","ZINC8579603","Aminothiazole","Nc1nccs1"
"3255","ZINC000008582008","ZINC8582008","N-Desmethyl Vandetanib","COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCNCC1"
"3256","ZINC000008583964","ZINC8583964"," ","NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O"
"3257","ZINC000008602956","ZINC8602956","6-Aminoisocytosine","Nc1cc(=O)[nH]c(N)n1"
"3258","ZINC000008614810","ZINC8614810","Zoxazolamine","Nc1nc2cc(Cl)ccc2o1"
"3259","ZINC000008618002","ZINC8618002"," ","C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O"
"3260","ZINC000008637880","ZINC8637880"," ","CC1=C(/C=C/C(C)=C\C=C/C(C)=C\CO)C(C)(C)CCC1"
"3261","ZINC000008655696","ZINC8655696","7-Hydroxymethotrexate","CN(Cc1nc2c(N)[nH]c(=N)[nH]c-2nc1=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"3262","ZINC000008673078","ZINC8673078","Inamrinone","Nc1cc(-c2ccncc2)c[nH]c1=O"
"3263","ZINC000008674155","ZINC8674155","Monoctanoin Component A","CCCCCCCC(=O)OC[C@@H](O)CO"
"3264","ZINC000008679996","ZINC8679996"," ","C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O"
"3265","ZINC000008731883","ZINC8731883","Modafinil Acid","O=C(O)C[S@@](=O)C(c1ccccc1)c1ccccc1"
"3266","ZINC000008855117","ZINC8855117","Hxr","O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O"
"3267","ZINC000009060429","ZINC9060429","Tenatoprazole","COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2n1"
"3268","ZINC000009111944","ZINC9111944","Temocillin","CO[C@@]1(NC(=O)[C@@H](C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21"
"3269","ZINC000009133172","ZINC9133172","Hydroxylansoprazole","Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccc(O)cc2[nH]1"
"3270","ZINC000009164421","ZINC9164421","Ceftolozane","Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c3nsc(N)n3)[C@H]2SC1"
"3271","ZINC000009212278","ZINC9212278","Nylidrin","C[C@H](CCc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1"
"3272","ZINC000009212324","ZINC9212324"," ","C#C[C@@]1(O)CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C"
"3273","ZINC000009212424","ZINC9212424"," ","C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12"
"3274","ZINC000009212425","ZINC9212425","Leucal","Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1)CN2"
"3275","ZINC000009212426","ZINC9212426","Leucal","Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1)CN2"
"3276","ZINC000009212427","ZINC9212427","Leucal","Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2"
"3277","ZINC000009212428","ZINC9212428","Leucal","Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2"
"3278","ZINC000009212654","ZINC9212654","Retin-A","CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C(=O)O)C(C)(C)CCC1"
"3279","ZINC000009224016","ZINC9224016","Milrinone","Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1"
"3280","ZINC000009225358","ZINC9225358","Enoximone","CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1"
"3281","ZINC000009228233","ZINC9228233"," ","C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O"
"3282","ZINC000009232411","ZINC9232411","Benperidol","O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1"
"3283","ZINC000009293928","ZINC9293928","N-Debutylhalofantrine","CCCCNCC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12"
"3284","ZINC000009302201","ZINC9302201","Retin-A","CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C(=O)O)C(C)(C)CCC1"
"3285","ZINC000009302211","ZINC9302211","Moroxydine","N=C(N)/N=C(\N)N1CCOCC1"
"3286","ZINC000009302239","ZINC9302239","Avibactam","NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O"
"3287","ZINC000009302317","ZINC9302317","Isoxsuprine","C[C@H](COc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1"
"3288","ZINC000009330879","ZINC9330879","Rebamipide","O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1"
"3289","ZINC000009330880","ZINC9330880","Rebamipide","O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1"
"3290","ZINC000009411213","ZINC9411213","Huperaine A","C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2"
"3291","ZINC000009574770","ZINC9574770","Telithromycin","CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C"
"3292","ZINC000009575047","ZINC9575047","Arbekacin","NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"
"3293","ZINC000011330186","ZINC11330186","Cerivastatin","COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1"
"3294","ZINC000011525121","ZINC11525121"," ","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@@H]12"
"3295","ZINC000011525622","ZINC11525622","Iomeprol","CN(C(=O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"3296","ZINC000011525623","ZINC11525623","Iomeprol","CN(C(=O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"3297","ZINC000011536302","ZINC11536302","Nirvanol","CC[C@@]1(c2ccccc2)NC(=O)NC1=O"
"3298","ZINC000011592639","ZINC11592639"," ","CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]2SC1"
"3299","ZINC000011615926","ZINC11615926","Lipitor","CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)O"
"3300","ZINC000011615927","ZINC11615927","Lipitor","CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)O"
"3301","ZINC000011615928","ZINC11615928","Lipitor","CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O"
"3302","ZINC000011616036","ZINC11616036"," ","COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@@H]13"
"3303","ZINC000011616152","ZINC11616152"," ","CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"
"3304","ZINC000011616153","ZINC11616153"," ","CO[C@@H]1[C@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"
"3305","ZINC000011616154","ZINC11616154"," ","CO[C@H]1[C@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"
"3306","ZINC000011616526","ZINC11616526","Isoxsuprine","C[C@@H](COc1ccccc1)N[C@@H](C)[C@@H](O)c1ccc(O)cc1"
"3307","ZINC000011616579","ZINC11616579","Kad-1229","O=C(O)[C@@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1"
"3308","ZINC000011616580","ZINC11616580","Kad-1229","O=C(O)[C@@H](CC(=O)N1C[C@H]2CCCC[C@@H]2C1)Cc1ccccc1"
"3309","ZINC000011616581","ZINC11616581","Kad-1229","O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@@H]2C1)Cc1ccccc1"
"3310","ZINC000011616657","ZINC11616657"," ","CC(C)=CCOc1ccc(/C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1"
"3311","ZINC000011616759","ZINC11616759"," ","COc1c(Nc2c3ccccc3nc3ccccc23)cccc1NS(C)(=O)=O"
"3312","ZINC000011616760","ZINC11616760","Tocopherol","Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2"
"3313","ZINC000011616852","ZINC11616852","Valstar","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"3314","ZINC000011616882","ZINC11616882"," ","CNC(=O)c1ccccc1Sc1ccc2c(/C=C\c3ccccn3)n[nH]c2c1"
"3315","ZINC000011616925","ZINC11616925","Folotyn","C#CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1"
"3316","ZINC000011617039","ZINC11617039","Pazopanib","Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O"
"3317","ZINC000011677376","ZINC11677376","Saphris","CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1"
"3318","ZINC000011677837","ZINC11677837","Eliquis","COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1"
"3319","ZINC000011677857","ZINC11677857","Stendra","COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2/C(O)=N/Cc2ncccn2)cc1Cl"
"3320","ZINC000011677890","ZINC11677890","Bemotrizinol","CCCC[C@H](CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC[C@H](CC)CCCC)cc3O)n2)c(O)c1"
"3321","ZINC000011677894","ZINC11677894","Bemotrizinol","CCCC[C@H](CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC[C@@H](CC)CCCC)cc3O)n2)c(O)c1"
"3322","ZINC000011677901","ZINC11677901","Bemotrizinol","CCCC[C@@H](CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC[C@H](CC)CCCC)cc3O)n2)c(O)c1"
"3323","ZINC000011677911","ZINC11677911","Bisoctrizole","CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1"
"3324","ZINC000011679756","ZINC11679756","Eltrombopag","CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O"
"3325","ZINC000011680067","ZINC11680067"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC"
"3326","ZINC000011680943","ZINC11680943","Lisdexamfetamine","C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN"
"3327","ZINC000011681534","ZINC11681534","Nebivolol","O[C@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1"
"3328","ZINC000011681563","ZINC11681563","Netupitant","Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"3329","ZINC000011726211","ZINC11726211","Lastacaft","CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1"
"3330","ZINC000012341529","ZINC12341529","Exisulind","CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1"
"3331","ZINC000012358651","ZINC12358651"," ","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1"
"3332","ZINC000012358719","ZINC12358719","Opahl","CCOC(=O)c1ccc(N)cc1"
"3333","ZINC000012360535","ZINC12360535","Hydralazine","NNc1nncc2ccccc12"
"3334","ZINC000012362725","ZINC12362725"," ","C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21"
"3335","ZINC000012362955","ZINC12362955","Idramantone","O=C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2"
"3336","ZINC000012402836","ZINC12402836","Clomifeno","CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1"
"3337","ZINC000012402849","ZINC12402849"," ","CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"3338","ZINC000012402850","ZINC12402850"," ","CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21"
"3339","ZINC000012402948","ZINC12402948","Surgam","C[C@@H]1OC(Cc2ccccc2)O[C@@H]1C"
"3340","ZINC000012404515","ZINC12404515","Sulindac Sulfide","CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1"
"3341","ZINC000012404516","ZINC12404516","Toremifene","CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"
"3342","ZINC000012405253","ZINC12405253"," ","Nc1cccc2c(=O)[nH]nc(O)c12"
"3343","ZINC000012410091","ZINC12410091","Semaxanib","Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1"
"3344","ZINC000012414057","ZINC12414057","Methylene Blue","CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1"
"3345","ZINC000012461841","ZINC12461841","Gliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1"
"3346","ZINC000012466082","ZINC12466082","Luvox","COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1"
"3347","ZINC000012468792","ZINC12468792","Xalatan","CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1"
"3348","ZINC000012469558","ZINC12469558","Micillinam","CC1(C)S[C@@H]2[C@H](/N=C\N3CCCCCC3)C(=O)N2[C@H]1C(=O)O"
"3349","ZINC000012484909","ZINC12484909","Phosphatidylserine","CCCC(=O)O[C@H](COC(=O)CC)CO[P@@](=O)(O)OC[C@H](N)C(=O)O"
"3350","ZINC000012484919","ZINC12484919","Calcifediol","C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O"
"3351","ZINC000012484926","ZINC12484926","Calcifediol","C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O"
"3352","ZINC000012484934","ZINC12484934"," ","CC1=C(/C=C\C(C)=C\C=C/C(C)=C\CO)C(C)(C)CCC1"
"3353","ZINC000012484958","ZINC12484958","Retin-A","CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C(=O)O)C(C)(C)CCC1"
"3354","ZINC000012484965","ZINC12484965","Alfacalcidol","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O"
"3355","ZINC000012493465","ZINC12493465","Maltos","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3356","ZINC000012494159","ZINC12494159","Chondroitin","C/C(O)=N\[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@@H](O)[C@H]1O"
"3357","ZINC000012494166","ZINC12494166","Chondroitin","C/C(O)=N\[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1OC(C(=O)O)=C[C@@H](O)[C@H]1O"
"3358","ZINC000012494340","ZINC12494340","Pregnenolone Sulfate","CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C"
"3359","ZINC000012494489","ZINC12494489"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)C"
"3360","ZINC000012494987","ZINC12494987","3hc-Gluc","CN1C(=O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1c1cccnc1"
"3361","ZINC000012495031","ZINC12495031","Nicotine Glucuronide","CN1CCC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1"
"3362","ZINC000012495062","ZINC12495062","Pgx","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@@H]21"
"3363","ZINC000012495314","ZINC12495314","Adrenaline Sulfate","CNC[C@H](O)c1ccc(OS(=O)(=O)O)c(O)c1"
"3364","ZINC000012496045","ZINC12496045","Soriatane","COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)c(C)c1C"
"3365","ZINC000012496115","ZINC12496115","Mhpg-Sulfate","COc1cc([C@@H](CO)OS(=O)(=O)O)ccc1O"
"3366","ZINC000012496118","ZINC12496118","Mhpg-Sulfate","COc1cc([C@H](CO)OS(=O)(=O)O)ccc1O"
"3367","ZINC000012496345","ZINC12496345","2-Methoxyestrone 3-Glucuronide","COc1cc2c(cc1O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12"
"3368","ZINC000012496366","ZINC12496366"," ","CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC"
"3369","ZINC000012496781","ZINC12496781","Estradiol Glucuronide","C[C@]12CC[C@@H]3c4ccc(O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"3370","ZINC000012496833","ZINC12496833","4-Oh-Retinoate","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1O"
"3371","ZINC000012496837","ZINC12496837","4-Oh-Retinoate","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@H]1O"
"3372","ZINC000012501706","ZINC12501706","2',3'-Dideoxyadenosine Triphosphate","Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O1"
"3373","ZINC000012502867","ZINC12502867","Fosmidomycin","O=CN(O)CCCP(=O)(O)O"
"3374","ZINC000012503063","ZINC12503063","Ethclorvynol","C#C[C@](O)(/C=C\Cl)CC"
"3375","ZINC000012503065","ZINC12503065","Ethclorvynol","C#C[C@@](O)(/C=C\Cl)CC"
"3376","ZINC000012503068","ZINC12503068","Trosec","O=C(OC1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"
"3377","ZINC000012503076","ZINC12503076","Eurax","C/C=C\C(=O)N(CC)c1ccccc1C"
"3378","ZINC000012503084","ZINC12503084","Sec-Butyl Allyl Barbituric Acid","C=CCC1([C@H](C)CC)C(=O)N(C)C(=O)N(C)C1=O"
"3379","ZINC000012503087","ZINC12503087","Sec-Butyl Allyl Barbituric Acid","C=CCC1([C@@H](C)CC)C(=O)N(C)C(=O)N(C)C1=O"
"3380","ZINC000012503099","ZINC12503099","Triprolidine","Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1"
"3381","ZINC000012503102","ZINC12503102"," ","CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O"
"3382","ZINC000012503109","ZINC12503109"," ","OC[C@@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O"
"3383","ZINC000012503112","ZINC12503112"," ","OC[C@@H]1O[C@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O"
"3384","ZINC000012503119","ZINC12503119"," ","CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O"
"3385","ZINC000012503137","ZINC12503137","Butorfanol","Oc1ccc2c(c1)[C@]13CCCC[C@@]1(O)[C@H](C2)N(CC1CCC1)CC3"
"3386","ZINC000012503139","ZINC12503139"," ","NC(N)=N/N=C\c1c(Cl)cccc1Cl"
"3387","ZINC000012503149","ZINC12503149","Tvfx","NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12"
"3388","ZINC000012503151","ZINC12503151","Neptazane","CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C"
"3389","ZINC000012503153","ZINC12503153"," ","C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2"
"3390","ZINC000012503156","ZINC12503156"," ","CN1C=CC=C/C1=C\N=O"
"3391","ZINC000012503162","ZINC12503162"," ","C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl"
"3392","ZINC000012503177","ZINC12503177","Caverject","CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O"
"3393","ZINC000012503187","ZINC12503187","Conivaptan","Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2"
"3394","ZINC000012503200","ZINC12503200","Dienesterol","C/C=C(C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1"
"3395","ZINC000012503203","ZINC12503203","Benzylpenicilloyl Polylysine","CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCCCCCC(=O)O)N[C@@H]1C(=O)O"
"3396","ZINC000012503208","ZINC12503208","Benzylpenicilloyl Polylysine","CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCCCC(=O)O)N[C@@H]1C(=O)O"
"3397","ZINC000012503210","ZINC12503210"," ","CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C"
"3398","ZINC000012503237","ZINC12503237"," ","C/C=C/C/C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O"
"3399","ZINC000012503240","ZINC12503240"," ","C/C=C\C/C=C/CCC(=O)[C@H]1O[C@H]1C(N)=O"
"3400","ZINC000012503242","ZINC12503242","Hsb","N=C(N)C1=CC(=O)/C(=C\C=c2ccc(=C(N)N)cc2)C=C1"
"3401","ZINC000012503291","ZINC12503291","Spiriva","C[N+]1(C)[C@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12"
"3402","ZINC000012503317","ZINC12503317"," ","CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C"
"3403","ZINC000012504271","ZINC12504271"," ","O=C1C(O)=C(C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21"
"3404","ZINC000012504523","ZINC12504523"," ","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"3405","ZINC000012504524","ZINC12504524","Ximelagatran","CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N\O)cc1)C1CCCCC1"
"3406","ZINC000012661824","ZINC12661824","Airol","CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1"
"3407","ZINC000012859773","ZINC12859773","Metformin","CN(C)C(=N)NC(=N)N"
"3408","ZINC000013118371","ZINC13118371","6-Beta-Hydrocortisol","C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"3409","ZINC000013129998","ZINC13129998","Meloxicam","Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1"
"3410","ZINC000013209328","ZINC13209328","Climbazole","CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)n1ccnc1"
"3411","ZINC000013233295","ZINC13233295","Sulfadimethoxine","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1"
"3412","ZINC000013282290","ZINC13282290","4-Hydroxymidazolam","Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@@H]2O"
"3413","ZINC000013282550","ZINC13282550","1'-Oxide Nicotine","C[N+]1([O-])CCC[C@@H]1c1cccnc1"
"3414","ZINC000013298313","ZINC13298313","Allopurinol","O=c1[nH]cnc2[nH]ncc12"
"3415","ZINC000013307544","ZINC13307544","Felipressina","CC(C)C(=O)[C@@]1([C@@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1"
"3416","ZINC000013319946","ZINC13319946","4-Hydroxystradiol","C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"
"3417","ZINC000013319947","ZINC13319947","4-Hydroxystradiol","C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O"
"3418","ZINC000013415989","ZINC13415989","Ro 11-4824","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1=O"
"3419","ZINC000013433448","ZINC13433448","2-Hydroxyethylhydrazine","C/C=C\CC/C=C\CCC(=O)OC"
"3420","ZINC000013444037","ZINC13444037","Tasosartan","Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CC2"
"3421","ZINC000013449409","ZINC13449409","6-O-Desmethyldonepezil","COc1cc2c(cc1O)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2"
"3422","ZINC000013449412","ZINC13449412","6-O-Desmethyldonepezil","COc1cc2c(cc1O)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2"
"3423","ZINC000013449462","ZINC13449462","5-O-Desmethyldonepezil","COc1cc2c(cc1O)C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O"
"3424","ZINC000013449465","ZINC13449465","5-O-Desmethyldonepezil","COc1cc2c(cc1O)C[C@@H](CC1CCN(Cc3ccccc3)CC1)C2=O"
"3425","ZINC000013454202","ZINC13454202"," ","CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C"
"3426","ZINC000013473305","ZINC13473305","Mitragynine","CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC"
"3427","ZINC000013478606","ZINC13478606","2-Trans-Hydroxycyclohexyl Glyburide","COc1ccc(Cl)cc1/C(O)=N/CCc1ccc(S(=O)(=O)/N=C(/O)N[C@H]2CCCC[C@@H]2O)cc1"
"3428","ZINC000013492624","ZINC13492624","Norverapamil","COc1ccc(CCNCCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC"
"3429","ZINC000013507674","ZINC13507674"," ","NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)/N=C(\O)CN)C(=O)O"
"3430","ZINC000013509425","ZINC13509425","Estrone","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O"
"3431","ZINC000013512224","ZINC13512224","Guaiacol","COc1ccccc1O"
"3432","ZINC000013512456","ZINC13512456","Teriflunomide","C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1"
"3433","ZINC000013512582","ZINC13512582","Amorolfine","CCC(C)(C)c1ccc(C[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)cc1"
"3434","ZINC000013512584","ZINC13512584","Amorolfine","CCC(C)(C)c1ccc(C[C@H](C)CN2C[C@H](C)O[C@H](C)C2)cc1"
"3435","ZINC000013514109","ZINC13514109","6-Thioguanylic Acid","Nc1nc(=S)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1"
"3436","ZINC000013514753","ZINC13514753","Oteracil","O=C(O)c1nc(=O)[nH]c(=O)[nH]1"
"3437","ZINC000013515299","ZINC13515299","17-Beta-Estradiol Glucuronide","C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"3438","ZINC000013515300","ZINC13515300","17-Beta-Estradiol Glucuronide","C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"3439","ZINC000013515301","ZINC13515301","17-Beta-Estradiol Glucuronide","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"3440","ZINC000013515302","ZINC13515302","17-Alpha-Estradiol-3-Glucuronide","C[C@]12CC[C@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"3441","ZINC000013515303","ZINC13515303","17-Alpha-Estradiol-3-Glucuronide","C[C@]12CC[C@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O"
"3442","ZINC000013515304","ZINC13515304","17-Alpha-Estradiol-3-Glucuronide","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O"
"3443","ZINC000013517144","ZINC13517144","1-Methylxanthine","Cn1c(=O)[nH]c2nc[nH]c2c1=O"
"3444","ZINC000013517187","ZINC13517187","Xanthin","O=c1[nH]c(=O)c2[nH]cnc2[nH]1"
"3445","ZINC000013518278","ZINC13518278","6-Mercaptopurine Ribonucleoside 5'-Diphosphate","O=P(O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"
"3446","ZINC000013520558","ZINC13520558","Alora","C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O"
"3447","ZINC000013520633","ZINC13520633","Penicilloic Acid","CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O"
"3448","ZINC000013520637","ZINC13520637","Penicilloic Acid","CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O"
"3449","ZINC000013520815","ZINC13520815","Alora","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O"
"3450","ZINC000013526798","ZINC13526798","5-Fluorouridine Monophosphate","O=c1nc(O)c(F)cn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"
"3451","ZINC000013527467","ZINC13527467","Alpha-Hydroxytamoxifen","C[C@@H](O)/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1"
"3452","ZINC000013531944","ZINC13531944","Sulindac Sulfone","CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1"
"3453","ZINC000013536586","ZINC13536586"," ","N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1"
"3454","ZINC000013537284","ZINC13537284","Alosetron","Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O"
"3455","ZINC000013537287","ZINC13537287","Desmethylastemizole","Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1"
"3456","ZINC000013540519","ZINC13540519","Hydrocortisone","C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"3457","ZINC000013540864","ZINC13540864"," ","Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O"
"3458","ZINC000013543089","ZINC13543089","6-Methylthiopurine 5'-Monophosphate Ribonucleotide","CSc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"
"3459","ZINC000013543111","ZINC13543111","6-Thioxanthine 5'-Monophosphate","O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@@H]1O"
"3460","ZINC000013545632","ZINC13545632","Barbital","CCC1(CC)C(=O)NC(=O)NC1=O"
"3461","ZINC000013545634","ZINC13545634","Pentobarbital","CCC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O"
"3462","ZINC000013545636","ZINC13545636","Pentobarbital","CCC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O"
"3463","ZINC000013545678","ZINC13545678","Alexitol Sodium","OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO"
"3464","ZINC000013546270","ZINC13546270","Gemcitabine Triphosphate","Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)c(=O)n1"
"3465","ZINC000013546731","ZINC13546731","2-Oxobrimonidine","O=c1cnc2c(Br)c(NC3=NCCN3)ccc2[nH]1"
"3466","ZINC000013547277","ZINC13547277","3-Oxobrimonidine","OC1=Nc2c(ccc(NC3=NCCN3)c2Br)NC1"
"3467","ZINC000013550868","ZINC13550868","Acetaminophen","C/C(O)=N\c1ccc(O)cc1"
"3468","ZINC000013556853","ZINC13556853","Lamivudine-Triphosphate","Nc1ccn([C@H]2CS[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O2)c(=O)n1"
"3469","ZINC000013559434","ZINC13559434","Omeprazole Sulfone","COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1"
"3470","ZINC000013585233","ZINC13585233","Sapropterin","C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1"
"3471","ZINC000013587284","ZINC13587284","Or-1896","CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1"
"3472","ZINC000013587680","ZINC13587680","Iloprost","CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O"
"3473","ZINC000013588928","ZINC13588928","Lamivudine-Triphosphate","Nc1ccn([C@@H]2CS[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O2)c(=O)n1"
"3474","ZINC000013597823","ZINC13597823","Videx","O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1"
"3475","ZINC000013612564","ZINC13612564"," ","OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O"
"3476","ZINC000013648755","ZINC13648755","Saxagliptin","N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2"
"3477","ZINC000013674440","ZINC13674440","4r-Hydroxy Solifenacin","O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@@H]1c1ccccc1"
"3478","ZINC000013682481","ZINC13682481","Elvitegravir","COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C"
"3479","ZINC000013704173","ZINC13704173"," ","CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C\N3CCCCCC3)[C@H]2SC1(C)C"
"3480","ZINC000013744633","ZINC13744633","Gm4","COc1cc2c(cc1OC)C(=O)[C@H](CC1CCNCC1)C2"
"3481","ZINC000013744635","ZINC13744635","Gm4","COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCNCC1)C2"
"3482","ZINC000013759728","ZINC13759728","6-O-Desmethyl-Mycophenolic Acid","C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O"
"3483","ZINC000013759798","ZINC13759798","N-Desthienylethyl-Rotigotine","CCCN[C@@H]1CCc2c(O)cccc2C1"
"3484","ZINC000013759799","ZINC13759799","N-Desthienylethyl-Rotigotine","CCCN[C@H]1CCc2c(O)cccc2C1"
"3485","ZINC000013761818","ZINC13761818","Hydroxycelecoxib","NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CO)cc2)cc1"
"3486","ZINC000013761819","ZINC13761819","Carboxycelecoxib","NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(=O)O)cc2)cc1"
"3487","ZINC000013763987","ZINC13763987","Crystal Violet","CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1"
"3488","ZINC000013783495","ZINC13783495","Pinacidil","C[C@@H](N/C(=N/C#N)Nc1ccncc1)C(C)(C)C"
"3489","ZINC000013818943","ZINC13818943","Lexiscan","CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1"
"3490","ZINC000013827856","ZINC13827856"," ","O=[S@](c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl"
"3491","ZINC000013827859","ZINC13827859"," ","O=[S@@](c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl"
"3492","ZINC000013828184","ZINC13828184","Perospirone","O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1"
"3493","ZINC000013829478","ZINC13829478","1-Salicylate Glucuronide","O=C(O)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"3494","ZINC000013831130","ZINC13831130","Raltegravir","Cc1nnc(C(=O)NC(C)(C)c2nc(/C(O)=N/Cc3ccc(F)cc3)c(O)c(=O)n2C)o1"
"3495","ZINC000013831141","ZINC13831141","Enzacamene","Cc1ccc(/C=C2/C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1"
"3496","ZINC000013831791","ZINC13831791","Ptc124","O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1"
"3497","ZINC000013831809","ZINC13831809","Gimeracil","O=c1cc(O)c(Cl)c[nH]1"
"3498","ZINC000013831810","ZINC13831810","Mizolastine","CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1"
"3499","ZINC000013831818","ZINC13831818","Koj","O=c1cc(CO)occ1O"
"3500","ZINC000013831819","ZINC13831819"," ","OCCOC[C@H]1O[C@H](OCCO)[C@H](OCCO)[C@@H](OCCO)[C@@H]1OCCO"
"3501","ZINC000013907153","ZINC13907153","Tiropramide","CCCN(CCC)C(=O)[C@@H](Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1"
"3502","ZINC000013911941","ZINC13911941","Zemplar","C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O"
"3503","ZINC000013912394","ZINC13912394","Afp-168","CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1"
"3504","ZINC000013916432","ZINC13916432","Udenafil","CCCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1"
"3505","ZINC000013973998","ZINC13973998","Gabapentin","CC(C)C(=O)O[C@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1"
"3506","ZINC000013983447","ZINC13983447","B-Dihydrotetrabenazine","COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@@H](CC(C)C)CN1CC2"
"3507","ZINC000013983450","ZINC13983450","B-Dihydrotetrabenazine","COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2"
"3508","ZINC000013986658","ZINC13986658","Idelalisib","CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1"
"3509","ZINC000014089740","ZINC14089740","Morphine-6-Glucuronide","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5"
"3510","ZINC000014096305","ZINC14096305","Artesunate","C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"
"3511","ZINC000014164617","ZINC14164617","Obeticholic Acid","CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O"
"3512","ZINC000014210455","ZINC14210455","Victrelis","CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C"
"3513","ZINC000014210457","ZINC14210457","Victrelis","CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C"
"3514","ZINC000014210642","ZINC14210642","Edarbi","CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1"
"3515","ZINC000014210876","ZINC14210876","Eluxadoline","COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O"
"3516","ZINC000014233334","ZINC14233334","Cetalkonium","CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1"
"3517","ZINC000014261579","ZINC14261579","Alvesco","CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C"
"3518","ZINC000014263142","ZINC14263142","Artemether","CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3"
"3519","ZINC000014489023","ZINC14489023","Epidermin","CC(C)(CC#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O"
"3520","ZINC000014489025","ZINC14489025","Epidermin","CC(C)(CC#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O"
"3521","ZINC000014489027","ZINC14489027","Epidermin","CC(C)(CC#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O"
"3522","ZINC000014489029","ZINC14489029","Epidermin","CC(C)(CC#N)O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O"
"3523","ZINC000014514079","ZINC14514079"," ","CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"3524","ZINC000014618774","ZINC14618774","Ova","CO[C@@H]1C(=O)CC[C@@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C"
"3525","ZINC000014618775","ZINC14618775","Ova","CO[C@H]1C(=O)CC[C@@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C"
"3526","ZINC000014618776","ZINC14618776","Ova","CO[C@H]1C(=O)CC[C@]2(CO2)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C"
"3527","ZINC000014658068","ZINC14658068"," ","O=NC1CCNCC1"
"3528","ZINC000014768469","ZINC14768469"," ","Cc1cc(=O)c(C(=O)N[C@@H](C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)c[nH]1"
"3529","ZINC000014768568","ZINC14768568"," ","C[C@@H](O[C@@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"3530","ZINC000014768621","ZINC14768621","Chlorhexidine","NC(=N/CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(/N)Nc1ccc(Cl)cc1"
"3531","ZINC000014879959","ZINC14879959"," ","CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C"
"3532","ZINC000014879961","ZINC14879961"," ","CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C"
"3533","ZINC000014879963","ZINC14879963","Ro 42-5892","CC(C)(C)S(=O)(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1"
"3534","ZINC000014879972","ZINC14879972","Gar-936","CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"
"3535","ZINC000014879975","ZINC14879975","Elmiron","O=S(=O)(O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"
"3536","ZINC000014879992","ZINC14879992","Minocycline","CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O"
"3537","ZINC000014879999","ZINC14879999","Nov","CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C"
"3538","ZINC000014880001","ZINC14880001"," ","C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F"
"3539","ZINC000014880002","ZINC14880002","Dihydroergotoxine","CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21"
"3540","ZINC000014880004","ZINC14880004","Rolitetracycline","CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"3541","ZINC000014880007","ZINC14880007"," ","CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5O)N3[C@@H]1O"
"3542","ZINC000014881137","ZINC14881137","Didecyl-Dimethyl-Ammonium","CCCCCCCCCC[N+](C)(C)CCCCCCCCCC"
"3543","ZINC000014951598","ZINC14951598","Norsertraline","N[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21"
"3544","ZINC000014952767","ZINC14952767","E-3174","CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1"
"3545","ZINC000014953365","ZINC14953365","Zaprinast","CCCOc1ccccc1-c1nc(O)c2n[nH]nc2n1"
"3546","ZINC000014961096","ZINC14961096","Alogliptin","Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O"
"3547","ZINC000014969354","ZINC14969354","Desethylamiodarone","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1"
"3548","ZINC000015263894","ZINC15263894","Valstar","O=C1O/C(=C/c2ccc(O)c(O)c2)C(=O)C(c2ccc(O)cc2)=C1O"
"3549","ZINC000015449187","ZINC15449187","Alpha-Dihydroartemisinin","C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"
"3550","ZINC000015449189","ZINC15449189"," ","C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4"
"3551","ZINC000015831592","ZINC15831592","5-Nok","O=[N+]([O-])c1ccc(O)c2ncccc12"
"3552","ZINC000015848249","ZINC15848249","Glycerol, Iodinated","C[C@H](I)[C@@H]1OC[C@@H](CO)O1"
"3553","ZINC000015848251","ZINC15848251","Glycerol, Iodinated","C[C@H](I)[C@H]1OC[C@@H](CO)O1"
"3554","ZINC000015919406","ZINC15919406","Ono-Rs 411","O=C(Nc1ccc2c(=O)cc(-c3nnn[nH]3)oc2c1)c1ccc(OCCCCc2ccccc2)cc1"
"3555","ZINC000015951916","ZINC15951916"," ","COC1=CC=C2Nc3cc(Cl)ccc3C(N=C3C=C(CN4CCCC4)C(=O)C(CN4CCCC4)=C3)=C2N1"
"3556","ZINC000016051982","ZINC16051982","Gemcitabine Diphosphate","Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)C2(F)F)c(=O)n1"
"3557","ZINC000016052277","ZINC16052277","Doxycycline","C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=N)O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21"
"3558","ZINC000016090787","ZINC16090787","Amfecloral","C[C@@H](Cc1ccccc1)/N=C/C(Cl)(Cl)Cl"
"3559","ZINC000016090791","ZINC16090791","Carbamazepine Epoxide","NC(=O)N1c2ccccc2[C@@H]2O[C@@H]2c2ccccc21"
"3560","ZINC000016159083","ZINC16159083","Pimavanserin","CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1"
"3561","ZINC000016929327","ZINC16929327","Azadc","Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1"
"3562","ZINC000016951989","ZINC16951989","Penicilloic Acid","CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O"
"3563","ZINC000017110453","ZINC17110453","Etozoline","CCOC(=O)/C=C1/S[C@H](N2CCCCC2)C(=O)N1C"
"3564","ZINC000017146904","ZINC17146904","Albenza","CCCSc1ccc2[nH]/c(=N/C(=O)OC)[nH]c2c1"
"3565","ZINC000017187167","ZINC17187167","3'-Amino-3'-Deoxythimidine","Cc1cn([C@@H]2C[C@@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O"
"3566","ZINC000017187169","ZINC17187169","3'-Amino-3'-Deoxythimidine","Cc1cn([C@H]2C[C@@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O"
"3567","ZINC000017187171","ZINC17187171","3'-Amino-3'-Deoxythimidine","Cc1cn([C@@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O"
"3568","ZINC000017285869","ZINC17285869"," ","CCCC[C@@H](CC)COC(=O)/C=C\c1ccc(OC)cc1"
"3569","ZINC000017285872","ZINC17285872"," ","CCCC[C@H](CC)COC(=O)/C=C\c1ccc(OC)cc1"
"3570","ZINC000017364045","ZINC17364045","Amidate","CCOC(=O)c1cncn1[C@@H](C)c1ccccc1"
"3571","ZINC000017545546","ZINC17545546","Ironophore","O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1"
"3572","ZINC000017611186","ZINC17611186","Cantharidin","C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1"
"3573","ZINC000017653971","ZINC17653971","Orobronze","CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O"
"3574","ZINC000017653974","ZINC17653974","Lufenuron","O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)[C@@H](F)C(F)(F)F)cc1Cl"
"3575","ZINC000017744683","ZINC17744683","Modafinil Acid","O=C(O)C[S@](=O)C(c1ccccc1)c1ccccc1"
"3576","ZINC000017835656","ZINC17835656","Sulmazole","COc1cc([S@](C)=O)ccc1-c1nc2ncccc2[nH]1"
"3577","ZINC000017836367","ZINC17836367","Alexitol Sodium","OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO"
"3578","ZINC000017953024","ZINC17953024","Chlofazimine","CC(C)/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"3579","ZINC000017970372","ZINC17970372","Amithiozone","CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1"
"3580","ZINC000017971067","ZINC17971067","E968","OC[C@H](O)[C@H](O)CO"
"3581","ZINC000018043251","ZINC18043251","Theophylline","Cn1c(=O)c2[nH]cnc2n(C)c1=O"
"3582","ZINC000018055768","ZINC18055768","Todralazine","CCOC(=O)NNc1nncc2ccccc12"
"3583","ZINC000018059633","ZINC18059633"," ","C[C@H](O)[C@@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1"
"3584","ZINC000018067894","ZINC18067894","Acetohexamid","CC(=O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1"
"3585","ZINC000018089317","ZINC18089317","Dilatrate Sr","O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]"
"3586","ZINC000018096411","ZINC18096411","Pinacidil","C[C@H](/N=C(/NC#N)Nc1ccncc1)C(C)(C)C"
"3587","ZINC000018099446","ZINC18099446","Dtic","CN(C)/N=N\c1[nH]cnc1C(N)=O"
"3588","ZINC000018107429","ZINC18107429","Ethacridine","CCOc1ccc2nc3cc(N)ccc3c(N)c2c1"
"3589","ZINC000018113502","ZINC18113502","6-Methylmercaptopurine","CSc1ncnc2nc[nH]c12"
"3590","ZINC000018115268","ZINC18115268","Cimetidine","CN/C(=N\C#N)NCCSCc1nc[nH]c1C"
"3591","ZINC000018117797","ZINC18117797","Molsidomine","CCO/C(O)=N\c1c[n+](N2CCOCC2)no1"
"3592","ZINC000018130447","ZINC18130447"," ","CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2"
"3593","ZINC000018153101","ZINC18153101"," ","NC(=O)CCC/N=C(/c1ccc(Cl)cc1)c1cc(F)ccc1O"
"3594","ZINC000018153302","ZINC18153302","Hypoxanthine","O=c1[nH]cnc2[nH]cnc12"
"3595","ZINC000018167382","ZINC18167382","Aprobarbital","C=CCC1(C(C)C)C(=O)NC(=O)NC1=O"
"3596","ZINC000018168715","ZINC18168715","Aldehydo-D-Xylose","O=C[C@H](O)[C@@H](O)[C@H](O)CO"
"3597","ZINC000018178475","ZINC18178475","Etn","O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]"
"3598","ZINC000018185774","ZINC18185774","Luteolin","O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12"
"3599","ZINC000018203737","ZINC18203737","Edaravone","CC1=NN(c2ccccc2)C(=O)C1"
"3600","ZINC000018268128","ZINC18268128","Sulfoxone","O=[S@@](O)CNc1ccc(S(=O)(=O)c2ccc(NC[S@](=O)O)cc2)cc1"
"3601","ZINC000018279854","ZINC18279854","Gemcitabine","Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1"
"3602","ZINC000018279893","ZINC18279893","Sorbit","OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"3603","ZINC000018284778","ZINC18284778","Isosorbide","O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12"
"3604","ZINC000018324776","ZINC18324776","Vardenafil","CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12"
"3605","ZINC000018516586","ZINC18516586","Delavirdine","CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1"
"3606","ZINC000018847040","ZINC18847040","Quinacrine","CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"
"3607","ZINC000018847041","ZINC18847041","Quinacrine","CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12"
"3608","ZINC000018847050","ZINC18847050","Clopamide","C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1"
"3609","ZINC000019014866","ZINC19014866","Tacrine","Nc1c2c(nc3ccccc13)CCCC2"
"3610","ZINC000019117728","ZINC19117728","Tripelennamine","CN(C)CCN(Cc1ccccc1)c1ccccn1"
"3611","ZINC000019132424","ZINC19132424","E-Guggulsterone","C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C"
"3612","ZINC000019144216","ZINC19144216","Pyrilamine","COc1ccc(CN(CCN(C)C)c2ccccn2)cc1"
"3613","ZINC000019144226","ZINC19144226","Chloroquine","CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12"
"3614","ZINC000019144231","ZINC19144231","Chloroquine","CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12"
"3615","ZINC000019156872","ZINC19156872","Cyclizine","CN1CCN(C(c2ccccc2)c2ccccc2)CC1"
"3616","ZINC000019166988","ZINC19166988","Procarbazin","CNNCc1ccc(C(=O)NC(C)C)cc1"
"3617","ZINC000019166991","ZINC19166991","Phenelzine","NNCCc1ccccc1"
"3618","ZINC000019168887","ZINC19168887","Carbidopa","C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O"
"3619","ZINC000019203128","ZINC19203128","Biosone","CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12"
"3620","ZINC000019203131","ZINC19203131","Biosone","CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C"
"3621","ZINC000019203134","ZINC19203134","Biosone","CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C"
"3622","ZINC000019203852","ZINC19203852","Furaltadone","O=C1O[C@@H](CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1"
"3623","ZINC000019203855","ZINC19203855","Furaltadone","O=C1O[C@H](CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1"
"3624","ZINC000019203912","ZINC19203912","Fluphenazine","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"
"3625","ZINC000019228902","ZINC19228902","Pzc","OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"
"3626","ZINC000019230121","ZINC19230121","N-(2-Hydroxyethyl)-Morpholine","OCCN1CCOCC1"
"3627","ZINC000019230196","ZINC19230196","Mecysteine","COC(=O)[C@@H](N)CS"
"3628","ZINC000019230197","ZINC19230197","Mecysteine","COC(=O)[C@H](N)CS"
"3629","ZINC000019318917","ZINC19318917","Hexetidine","CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)(N)C1"
"3630","ZINC000019321450","ZINC19321450","Hexetidine","CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)(N)C1"
"3631","ZINC000019322537","ZINC19322537","Taurolidine","O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1"
"3632","ZINC000019324118","ZINC19324118"," ","CCCC[C@@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)(N)C1"
"3633","ZINC000019336232","ZINC19336232","Chiniofon","O=S(=O)(O)c1cc(I)c(O)c2ncccc12"
"3634","ZINC000019340795","ZINC19340795","Moricizine","CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2"
"3635","ZINC000019358638","ZINC19358638","Trimetazidine","COc1ccc(CN2CCNCC2)c(OC)c1OC"
"3636","ZINC000019360739","ZINC19360739","Flunarizine","Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1"
"3637","ZINC000019361042","ZINC19361042","Meclizine","Cc1cccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1"
"3638","ZINC000019362650","ZINC19362650","Metitepine","CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2"
"3639","ZINC000019362651","ZINC19362651","Metitepine","CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2"
"3640","ZINC000019362664","ZINC19362664","Perazine","CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1"
"3641","ZINC000019362693","ZINC19362693","Lomerizine","COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC"
"3642","ZINC000019362721","ZINC19362721","Eprazinone","CCO[C@H](CN1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1"
"3643","ZINC000019362722","ZINC19362722","Eprazinone","CCO[C@@H](CN1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1"
"3644","ZINC000019362735","ZINC19362735","Chlorcyclizine","CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3645","ZINC000019362737","ZINC19362737","Chlorcyclizine","CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3646","ZINC000019363537","ZINC19363537","Tetraethylenepentamine","NCCNCCNCCNCCN"
"3647","ZINC000019364219","ZINC19364219","Ethambutol","CC[C@@H](CO)NCCN[C@@H](CC)CO"
"3648","ZINC000019364222","ZINC19364222","Hydroxyzine","OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3649","ZINC000019364224","ZINC19364224","Hydroxyzine","OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3650","ZINC000019364225","ZINC19364225","Trientine","NCCNCCNCCN"
"3651","ZINC000019364226","ZINC19364226","Buclizine","CC(C)(C)c1ccc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1"
"3652","ZINC000019364228","ZINC19364228","Buclizine","CC(C)(C)c1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1"
"3653","ZINC000019364229","ZINC19364229","Cetirizine","O=C(O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3654","ZINC000019364230","ZINC19364230","Cetirizine","O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1"
"3655","ZINC000019364242","ZINC19364242","Edt","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O"
"3656","ZINC000019369227","ZINC19369227","Camylofin","CCN(CC)CCN[C@H](C(=O)OCCC(C)C)c1ccccc1"
"3657","ZINC000019369230","ZINC19369230","Camylofin","CCN(CC)CCN[C@@H](C(=O)OCCC(C)C)c1ccccc1"
"3658","ZINC000019418959","ZINC19418959","Trifluoperazine","CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"
"3659","ZINC000019419017","ZINC19419017","Magnevist","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O"
"3660","ZINC000019594545","ZINC19594545","Dropropizine","OC[C@@H](O)CN1CCN(c2ccccc2)CC1"
"3661","ZINC000019594547","ZINC19594547","Dropropizine","OC[C@H](O)CN1CCN(c2ccccc2)CC1"
"3662","ZINC000019594549","ZINC19594549","Enoxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21"
"3663","ZINC000019594557","ZINC19594557","Meclizine","Cc1cccc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1"
"3664","ZINC000019594594","ZINC19594594","Pramoxine","CCCCOc1ccc(OCCCN2CCOCC2)cc1"
"3665","ZINC000019594599","ZINC19594599","Ticlopidine","Clc1ccccc1CN1CCc2sccc2C1"
"3666","ZINC000019606670","ZINC19606670","Moclobemide","O=C(NCCN1CCOCC1)c1ccc(Cl)cc1"
"3667","ZINC000019632614","ZINC19632614","Iressa","COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1"
"3668","ZINC000019632618","ZINC19632618","Imatinib","Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"
"3669","ZINC000019632628","ZINC19632628","Seroquel","OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1"
"3670","ZINC000019632633","ZINC19632633","Selegiline","C#CCN(C)[C@H](C)Cc1ccccc1"
"3671","ZINC000019632657","ZINC19632657","Cilnidipine","COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1"
"3672","ZINC000019632663","ZINC19632663","Cilnidipine","COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1"
"3673","ZINC000019632668","ZINC19632668","Doxapram","CCN1C[C@@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O"
"3674","ZINC000019632670","ZINC19632670","Doxapram","CCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O"
"3675","ZINC000019632692","ZINC19632692","Procaterol","CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12"
"3676","ZINC000019632696","ZINC19632696","Naftopidil","COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1"
"3677","ZINC000019632700","ZINC19632700","Naftopidil","COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1"
"3678","ZINC000019632706","ZINC19632706","Sular","COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-]"
"3679","ZINC000019632713","ZINC19632713","Nimotop","COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1"
"3680","ZINC000019632718","ZINC19632718","Nimotop","COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1"
"3681","ZINC000019632822","ZINC19632822","Fipexide","O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1"
"3682","ZINC000019632834","ZINC19632834","Zopiclone","CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"
"3683","ZINC000019632839","ZINC19632839","Zopiclone","CN1CCN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1"
"3684","ZINC000019632891","ZINC19632891","Cinnarizine","C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1"
"3685","ZINC000019632896","ZINC19632896","Oxatomide","O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1"
"3686","ZINC000019632912","ZINC19632912","Imiquimod","CC(C)Cn1cnc2c(N)nc3ccccc3c21"
"3687","ZINC000019632917","ZINC19632917","Chlordiazepoxide","CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1"
"3688","ZINC000019632927","ZINC19632927","Pirenzepine","CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1"
"3689","ZINC000019685788","ZINC19685788","Lercanidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1"
"3690","ZINC000019685790","ZINC19685790","Lercanidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1"
"3691","ZINC000019701765","ZINC19701765","Securinine","O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31"
"3692","ZINC000019701769","ZINC19701769","Chlortetracycline","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12"
"3693","ZINC000019702309","ZINC19702309","Tizanidine","Clc1ccc2nsnc2c1N=C1NCCN1"
"3694","ZINC000019795995","ZINC19795995","Gaboxadol","Oc1noc2c1CCNC2"
"3695","ZINC000019796018","ZINC19796018","Prochlorperazine","CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1"
"3696","ZINC000019796031","ZINC19796031","Vinpocetine","CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32"
"3697","ZINC000019796033","ZINC19796033","Nomifensine","CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1"
"3698","ZINC000019796035","ZINC19796035","Nomifensine","CN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1"
"3699","ZINC000019796080","ZINC19796080","Inapsine","O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1"
"3700","ZINC000019796082","ZINC19796082","Minaprine","Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1"
"3701","ZINC000019796087","ZINC19796087","Nicardipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1"
"3702","ZINC000019796155","ZINC19796155","Clozapine","CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"
"3703","ZINC000019796158","ZINC19796158","Loxapine","CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1"
"3704","ZINC000019796161","ZINC19796161","Telenzepine","Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O"
"3705","ZINC000019796168","ZINC19796168","Sildenafil","CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12"
"3706","ZINC000019855121","ZINC19855121"," ","O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O"
"3707","ZINC000019875504","ZINC19875504","Rasagiline","C#CCN[C@@H]1CCc2ccccc21"
"3708","ZINC000019890801","ZINC19890801","Asenlix","C[C@@H](Cc1ccccc1)NCc1ccccc1Cl"
"3709","ZINC000019890803","ZINC19890803","Asenlix","C[C@H](Cc1ccccc1)NCc1ccccc1Cl"
"3710","ZINC000019907652","ZINC19907652","Arbidol","CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12"
"3711","ZINC000020148995","ZINC20148995","Anaphylline","CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1"
"3712","ZINC000020230701","ZINC20230701","Nitramyl","CCCCCON=O"
"3713","ZINC000021297287","ZINC21297287","Pipamperone","NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1"
"3714","ZINC000021297660","ZINC21297660","Cellcept","COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2"
"3715","ZINC000021297783","ZINC21297783","Caldiamide","CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O"
"3716","ZINC000021298097","ZINC21298097","Sivelestat","CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1"
"3717","ZINC000021302830","ZINC21302830","5'-Deoxy-5-Fluorocytidine","C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@H](O)[C@@H]1O"
"3718","ZINC000021303210","ZINC21303210","Brimonidine","Brc1c(N=C2NCCN2)ccc2nccnc12"
"3719","ZINC000021981188","ZINC21981188","Dextrorphan O-Glucuronide","CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc13"
"3720","ZINC000021981190","ZINC21981190","Dextrorphan O-Glucuronide","CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc13"
"3721","ZINC000021981206","ZINC21981206","6-Hydroxyetodolac","CCc1cc(O)cc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3"
"3722","ZINC000021981208","ZINC21981208","6-Hydroxyetodolac","CCc1cc(O)cc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3"
"3723","ZINC000021981222","ZINC21981222","Cgp74588","Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1"
"3724","ZINC000021981231","ZINC21981231","4-Hydroxy Ketorolac","O=C(c1ccc(O)cc1)c1ccc2n1CC[C@H]2C(=O)O"
"3725","ZINC000021981233","ZINC21981233","4-Hydroxy Ketorolac","O=C(c1ccc(O)cc1)c1ccc2n1CC[C@@H]2C(=O)O"
"3726","ZINC000021981235","ZINC21981235","Lansoprazole Sulfone","Cc1c(OCC(F)(F)F)ccnc1CS(=O)(=O)c1nc2ccccc2[nH]1"
"3727","ZINC000021981252","ZINC21981252","N-Desmethylmirtazapine","c1ccc2c(c1)Cc1cccnc1N1CCNC[C@@H]21"
"3728","ZINC000021981254","ZINC21981254","N-Desmethylmirtazapine","c1ccc2c(c1)Cc1cccnc1N1CCNC[C@H]21"
"3729","ZINC000021981256","ZINC21981256","8-Hydroxymirtazapine","CN1CCN2c3ncc(O)cc3Cc3ccccc3[C@@H]2C1"
"3730","ZINC000021981258","ZINC21981258"," ","CN1CCN2c3ncc(O)cc3Cc3ccccc3[C@H]2C1"
"3731","ZINC000021981272","ZINC21981272","Hydroxynefazodone","C[C@@H](O)c1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1"
"3732","ZINC000021981274","ZINC21981274","Hydroxynefazodone","C[C@H](O)c1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1"
"3733","ZINC000021981283","ZINC21981283","N2-Monodes-Methylnizatidine","CNCc1nc(CSCCN/C(=C/[N+](=O)[O-])NC)cs1"
"3734","ZINC000021981288","ZINC21981288","5'-O-Desmethyl Omeprazole","COc1c(C)cnc(C[S@@](=O)c2nc3cc(O)ccc3[nH]2)c1C"
"3735","ZINC000021981290","ZINC21981290","5'-O-Desmethyl Omeprazole","COc1c(C)cnc(C[S@](=O)c2nc3cc(O)ccc3[nH]2)c1C"
"3736","ZINC000021981303","ZINC21981303","Opipramol","OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1"
"3737","ZINC000021981361","ZINC21981361","Para-Hydroxyrosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1"
"3738","ZINC000021981363","ZINC21981363","Para-Hydroxyrosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O)cn1"
"3739","ZINC000021981364","ZINC21981364","Rosuvastatin 5 S-Lactone","CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1"
"3740","ZINC000021981371","ZINC21981371"," ","CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12"
"3741","ZINC000021981408","ZINC21981408","N-Desmethylvenlafaxine","CNC[C@@H](c1ccc(OC)cc1)C1(O)CCCCC1"
"3742","ZINC000021981411","ZINC21981411","N,o-Didesmethylvenlafaxine","CNC[C@@H](c1ccc(O)cc1)C1(O)CCCCC1"
"3743","ZINC000021981454","ZINC21981454","Cloderm","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO"
"3744","ZINC000021982937","ZINC21982937","Multihance","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)[C@@H](COCc1ccccc1)C(=O)O"
"3745","ZINC000021983537","ZINC21983537"," ","C(=C\c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1"
"3746","ZINC000021985090","ZINC21985090","4,4'-Methanol-Bisbenzonitrile","N#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1"
"3747","ZINC000021999791","ZINC21999791","Morniflumate","O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1"
"3748","ZINC000022001712","ZINC22001712","Aranidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-]"
"3749","ZINC000022001748","ZINC22001748"," ","CC[C@](C)(Oc1cccc(C2(c3ccc(O[C@](C)(CC)C(=O)O)cc3)CCCCC2)c1)C(=O)O"
"3750","ZINC000022001752","ZINC22001752"," ","CC[C@](C)(Oc1ccc(C2(c3cccc(O[C@@](C)(CC)C(=O)O)c3)CCCCC2)cc1)C(=O)O"
"3751","ZINC000022001756","ZINC22001756"," ","CC[C@@](C)(Oc1ccc(C2(c3cccc(O[C@](C)(CC)C(=O)O)c3)CCCCC2)cc1)C(=O)O"
"3752","ZINC000022001761","ZINC22001761"," ","CC[C@](C)(Oc1ccc(C2(c3cccc(O[C@](C)(CC)C(=O)O)c3)CCCCC2)cc1)C(=O)O"
"3753","ZINC000022002214","ZINC22002214","Molindone","CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCOCC1)CC2"
"3754","ZINC000022002218","ZINC22002218","Molindone","CCc1c(C)[nH]c2c1C(=O)[C@@H](CN1CCOCC1)CC2"
"3755","ZINC000022007371","ZINC22007371","Fluticasone 17beta-Carboxylic Acid","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O"
"3756","ZINC000022010375","ZINC22010375","Phendimetrazine","C[C@@H]1[C@@H](c2ccccc2)OCCN1C"
"3757","ZINC000022010379","ZINC22010379","Phendimetrazine","C[C@H]1[C@@H](c2ccccc2)OCCN1C"
"3758","ZINC000022010382","ZINC22010382","Phendimetrazine","C[C@@H]1[C@H](c2ccccc2)OCCN1C"
"3759","ZINC000022010387","ZINC22010387","Phendimetrazine","C[C@H]1[C@H](c2ccccc2)OCCN1C"
"3760","ZINC000022010649","ZINC22010649","Panobinostat","Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1"
"3761","ZINC000022010910","ZINC22010910","Vernakalant","COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC"
"3762","ZINC000022016976","ZINC22016976","Calteridol","C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"
"3763","ZINC000022016981","ZINC22016981","Calteridol","C[C@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"
"3764","ZINC000022033872","ZINC22033872","Eprazinone","CCO[C@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1"
"3765","ZINC000022033882","ZINC22033882","Eprazinone","CCO[C@@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1"
"3766","ZINC000022034381","ZINC22034381","Lidoflazine","Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1"
"3767","ZINC000022046874","ZINC22046874","Hydralazine Acetone Hydrazone","CC(C)=NNc1nncc2ccccc12"
"3768","ZINC000022047714","ZINC22047714","N-Acetyl Zonisamide","CC(=O)NS(=O)(=O)Cc1noc2ccccc12"
"3769","ZINC000022047784","ZINC22047784","Salbutamol 4-O-Sulfate","CC(C)(C)NC[C@@H](O)c1ccc(OS(=O)(=O)O)c(CO)c1"
"3770","ZINC000022047789","ZINC22047789","Salbutamol 4-O-Sulfate","CC(C)(C)NC[C@H](O)c1ccc(OS(=O)(=O)O)c(CO)c1"
"3771","ZINC000022053867","ZINC22053867","Carbamazepine Epoxide","NC(=O)N1c2ccccc2[C@H]2O[C@@H]2c2ccccc21"
"3772","ZINC000022053870","ZINC22053870","Carbamazepine Epoxide","NC(=O)N1c2ccccc2[C@@H]2O[C@H]2c2ccccc21"
"3773","ZINC000022054044","ZINC22054044","5'-Carboxy Meloxicam","CN1C(/C(O)=N\c2ncc(C(=O)O)s2)=C(O)c2ccccc2S1(=O)=O"
"3774","ZINC000022054999","ZINC22054999","Citalopram N-Oxide","C[N+](C)([O-])CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"3775","ZINC000022055003","ZINC22055003","Citalopram N-Oxide","C[N+](C)([O-])CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21"
"3776","ZINC000022055046","ZINC22055046","Clomipramine N-Oxide","C[N+](C)([O-])CCCN1c2ccccc2CCc2ccc(Cl)cc21"
"3777","ZINC000022055066","ZINC22055066","Clozapine N-Oxide","C[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1"
"3778","ZINC000022055131","ZINC22055131","Cotinine Glucuronide","CN1C(=O)CC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"3779","ZINC000022055135","ZINC22055135","Cotinine Glucuronide","CN1C(=O)CC[C@@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"3780","ZINC000022055139","ZINC22055139","Cotinine Glucuronide","CN1C(=O)CC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"3781","ZINC000022055143","ZINC22055143","Cotinine Glucuronide","CN1C(=O)CC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"3782","ZINC000022055590","ZINC22055590","Desmethylolanzapine","Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1"
"3783","ZINC000022056030","ZINC22056030","Emsam","C#CCN(C)[C@@H](C)Cc1ccccc1"
"3784","ZINC000022056306","ZINC22056306","Endoxifen","CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1"
"3785","ZINC000022056370","ZINC22056370","N-Desmethylrosiglitazone","O=C1N=C(O)[C@@H](Cc2ccc(OCCNc3ccccn3)cc2)S1"
"3786","ZINC000022056375","ZINC22056375","N-Desmethylrosiglitazone","O=C1N=C(O)[C@H](Cc2ccc(OCCNc3ccccn3)cc2)S1"
"3787","ZINC000022056467","ZINC22056467","Repaglinide Aromatic Amine","CCOc1cc(C/C(O)=N\[C@@H](CC(C)C)c2ccccc2N)ccc1C(=O)O"
"3788","ZINC000022056510","ZINC22056510","N-Despropyl Ropinirole","CCCNCCc1cccc2c1CC(=O)N2"
"3789","ZINC000022057192","ZINC22057192","Norzolmitripan","NCCc1c[nH]c2ccc(C[C@@H]3COC(O)=N3)cc12"
"3790","ZINC000022058301","ZINC22058301","Eletriptan N-Oxide","C[N+]1([O-])CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"
"3791","ZINC000022058728","ZINC22058728","Npc","CCc1c2c(nc3ccc(OC(=O)N4CCC(N)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"3792","ZINC000022059268","ZINC22059268","Tetraxetan","O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1"
"3793","ZINC000022059617","ZINC22059617","Fluvoxamino Acid","NCCO/N=C(\CCCC(=O)O)c1ccc(C(F)(F)F)cc1"
"3794","ZINC000022059926","ZINC22059926","Gemifloxacin","CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN"
"3795","ZINC000022059930","ZINC22059930","Gemifloxacin","CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CN"
"3796","ZINC000022060259","ZINC22060259","6-Hydroxy-R-Acenocoumarol","CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2cc(O)ccc2oc1=O"
"3797","ZINC000022060265","ZINC22060265","7-Hydroxy-R-Acenocoumarol","CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccc(O)cc2oc1=O"
"3798","ZINC000022060292","ZINC22060292"," ","O=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2[C@H]1O"
"3799","ZINC000022060295","ZINC22060295"," ","O=C1NC2=Nc3ccc(Cl)c(Cl)c3CN2[C@@H]1O"
"3800","ZINC000022060327","ZINC22060327","5-Hydroxydiclofenac","O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl"
"3801","ZINC000022060374","ZINC22060374","6beta-Hydroxybudesonide","CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"3802","ZINC000022060377","ZINC22060377","6beta-Hydroxybudesonide","CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"3803","ZINC000022060380","ZINC22060380","6'-Hydroxybuspirone","O=C1CC2(CCCC2)[C@H](O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1"
"3804","ZINC000022060383","ZINC22060383","6'-Hydroxybuspirone","O=C1CC2(CCCC2)[C@@H](O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1"
"3805","ZINC000022060583","ZINC22060583"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC"
"3806","ZINC000022060640","ZINC22060640","4-Hydroxy Duloxetine Glucuronide","CNCC[C@H](Oc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)c1cccs1"
"3807","ZINC000022060695","ZINC22060695","1-Hydroxyibuprofen","CC(C)[C@@H](O)c1ccc([C@@H](C)C(=O)O)cc1"
"3808","ZINC000022060698","ZINC22060698","1-Hydroxyibuprofen","CC(C)[C@H](O)c1ccc([C@@H](C)C(=O)O)cc1"
"3809","ZINC000022060701","ZINC22060701","1-Hydroxyibuprofen","CC(C)[C@@H](O)c1ccc([C@H](C)C(=O)O)cc1"
"3810","ZINC000022060704","ZINC22060704","1-Hydroxyibuprofen","CC(C)[C@H](O)c1ccc([C@H](C)C(=O)O)cc1"
"3811","ZINC000022060707","ZINC22060707","2-Hydroxyibuprofen","C[C@@H](C(=O)O)c1ccc(CC(C)(C)O)cc1"
"3812","ZINC000022060709","ZINC22060709","2-Hydroxyibuprofen","C[C@H](C(=O)O)c1ccc(CC(C)(C)O)cc1"
"3813","ZINC000022060952","ZINC22060952","2-Hydroxynevirapine","Cc1cc(=O)[nH]c2c1NC(=O)c1cccnc1N2C1CC1"
"3814","ZINC000022060986","ZINC22060986","Monohydroxyperhexiline","OC1CCC([C@@H](C[C@@H]2CCCCN2)C2CCCCC2)CC1"
"3815","ZINC000022060989","ZINC22060989","Monohydroxyperhexiline","OC1CCC([C@H](C[C@@H]2CCCCN2)C2CCCCC2)CC1"
"3816","ZINC000022060992","ZINC22060992","Monohydroxyperhexiline","OC1CCC([C@@H](C[C@H]2CCCCN2)C2CCCCC2)CC1"
"3817","ZINC000022060995","ZINC22060995","Monohydroxyperhexiline","OC1CCC([C@H](C[C@H]2CCCCN2)C2CCCCC2)CC1"
"3818","ZINC000022061023","ZINC22061023","4-Hydroxypropofol","CC(C)c1cc(O)cc(C(C)C)c1O"
"3819","ZINC000022061180","ZINC22061180","Hydroxyrepaglinide","CCOc1cc(C/C(O)=N\[C@@H](CC(C)C)c2ccccc2N2CCC[C@@H](O)C2)ccc1C(=O)O"
"3820","ZINC000022061183","ZINC22061183","Hydroxyrepaglinide","CCOc1cc(C/C(O)=N\[C@H](CC(C)C)c2ccccc2N2CCC[C@@H](O)C2)ccc1C(=O)O"
"3821","ZINC000022061237","ZINC22061237","Hydroxyterbinafine","CN(C/C=C/C#CC(C)(C)CO)Cc1cccc2ccccc12"
"3822","ZINC000022061252","ZINC22061252","Cis,trans-5'-Hydroxythalidomide","O=C1NC(=O)[C@H](N2C(=O)c3ccccc3C2=O)C[C@H]1O"
"3823","ZINC000022061255","ZINC22061255","Cis,trans-5'-Hydroxythalidomide","O=C1NC(=O)[C@H](N2C(=O)c3ccccc3C2=O)C[C@@H]1O"
"3824","ZINC000022061258","ZINC22061258","Cis,trans-5'-Hydroxythalidomide","O=C1NC(=O)[C@H](O)C[C@@H]1N1C(=O)c2ccccc2C1=O"
"3825","ZINC000022061261","ZINC22061261","Cis,trans-5'-Hydroxythalidomide","O=C1NC(=O)[C@@H](N2C(=O)c3ccccc3C2=O)C[C@@H]1O"
"3826","ZINC000022061277","ZINC22061277","4'-Hydroxytrazodone","O=c1n(CCCN2CCN(c3ccc(O)c(Cl)c3)CC2)nc2ccccn12"
"3827","ZINC000022061293","ZINC22061293","4-Hydroxyvalsartan","CC(C)[C@@H](C(=O)O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CC[C@@H](C)O"
"3828","ZINC000022061296","ZINC22061296","4-Hydroxyvalsartan","CC(C)[C@@H](C(=O)O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CC[C@H](C)O"
"3829","ZINC000022061312","ZINC22061312","Carboxy-Ibuprofen","C[C@@H](Cc1ccc([C@@H](C)C(=O)O)cc1)C(=O)O"
"3830","ZINC000022061315","ZINC22061315","Carboxy-Ibuprofen","C[C@H](Cc1ccc([C@@H](C)C(=O)O)cc1)C(=O)O"
"3831","ZINC000022061318","ZINC22061318","Carboxy-Ibuprofen","C[C@@H](Cc1ccc([C@H](C)C(=O)O)cc1)C(=O)O"
"3832","ZINC000022061321","ZINC22061321","Carboxy-Ibuprofen","C[C@H](C(=O)O)c1ccc(C[C@@H](C)C(=O)O)cc1"
"3833","ZINC000022062037","ZINC22062037","Mephedrone","CN[C@@H](C)C(=O)c1ccc(C)cc1"
"3834","ZINC000022062039","ZINC22062039","Mephedrone","CN[C@H](C)C(=O)c1ccc(C)cc1"
"3835","ZINC000022063424","ZINC22063424","N-Methylnicotinium","CN1CCC[C@@H]1c1ccc[n+](C)c1"
"3836","ZINC000022064220","ZINC22064220","Mirtazapine-N-Oxide","C[N+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@@H]2C1"
"3837","ZINC000022064224","ZINC22064224","Mirtazapine-N-Oxide","C[N+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@H]2C1"
"3838","ZINC000022064534","ZINC22064534","Nilvadipine","COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1"
"3839","ZINC000022065398","ZINC22065398"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"3840","ZINC000022065576","ZINC22065576","Clopidogrel Thiolactone","COC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H]2SC(=O)C=C2C1"
"3841","ZINC000022066121","ZINC22066121","2,4-Diene-Vpa","C=C/C=C(\CCC)C(=O)O"
"3842","ZINC000022066124","ZINC22066124","2-Ene-Valproic Acid","CC/C=C(\CCC)C(=O)O"
"3843","ZINC000022067493","ZINC22067493","Uk-121,265","C[C@@H](c1nc[n+]([O-])cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F"
"3844","ZINC000022116608","ZINC22116608","Fenoldopam","Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1"
"3845","ZINC000022116612","ZINC22116612","Fenoldopam","Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1"
"3846","ZINC000022200090","ZINC22200090","Clorgiline","C#CCN(C)CCCOc1ccc(Cl)cc1Cl"
"3847","ZINC000022443609","ZINC22443609","Plerixafor","c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1"
"3848","ZINC000022446634","ZINC22446634","Acetophenazine","CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2"
"3849","ZINC000022446644","ZINC22446644","Carphenazine","CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2"
"3850","ZINC000022446674","ZINC22446674","Thiethylperazine","CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2"
"3851","ZINC000022446685","ZINC22446685","Thioproperazine","CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1"
"3852","ZINC000022446966","ZINC22446966","Gadavist","O=C(O)CN1CCN(CC(=O)O)CCN([C@H](CO)[C@H](O)CO)CCN(CC(=O)O)CC1"
"3853","ZINC000022447798","ZINC22447798","Gadoversetamide","COCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCOC)CC(=O)O)CC(=O)O"
"3854","ZINC000022448097","ZINC22448097","Eovist","CCOc1ccc(C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1"
"3855","ZINC000022448696","ZINC22448696","Indinavir","CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O"
"3856","ZINC000022448983","ZINC22448983","Bosulif","COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl"
"3857","ZINC000022454221","ZINC22454221","Dilazep","COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC"
"3858","ZINC000022458031","ZINC22458031"," ","CC(=O)c1ccc2c(c1)Sc1ccccc1N2CCCN1CCN(CCO)CC1"
"3859","ZINC000022593510","ZINC22593510"," ","CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC"
"3860","ZINC000022816725","ZINC22816725","Fluphenazine Decanoate","CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"
"3861","ZINC000022851765","ZINC22851765","Eovist","CCOc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1"
"3862","ZINC000023358248","ZINC23358248"," ","COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)c(Cl)cc1Cl"
"3863","ZINC000024740492","ZINC24740492","Oxidronic Acid","O=P(O)(O)C(O)P(=O)(O)O"
"3864","ZINC000024782119","ZINC24782119","Pc(28:0)","CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC"
"3865","ZINC000025629071","ZINC25629071"," ","CC(=O)OC[C@@H]1O[C@H](S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"
"3866","ZINC000025629079","ZINC25629079"," ","CC(=O)OC[C@H]1O[C@H](S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O"
"3867","ZINC000025757754","ZINC25757754","Raclopride","CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC"
"3868","ZINC000026005230","ZINC26005230","6-Hydroxymethyletoricoxib","CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO)nc2)cc1"
"3869","ZINC000026007998","ZINC26007998","Etoricoxib 1'-N'-Oxide","Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)c[n+]1[O-]"
"3870","ZINC000026011099","ZINC26011099","Omacetaxine Mepesuccinate","COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4"
"3871","ZINC000026249456","ZINC26249456","Desacetylcefotaxime","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12)c1csc(N)n1"
"3872","ZINC000026251015","ZINC26251015","Piperaquine","Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1"
"3873","ZINC000026252414","ZINC26252414"," ","NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N"
"3874","ZINC000026295482","ZINC26295482"," ","CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1"
"3875","ZINC000026664090","ZINC26664090","Sqv","CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"
"3876","ZINC000026671872","ZINC26671872","Hemin","C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C=C"
"3877","ZINC000026824305","ZINC26824305","N-Desmethylritonavir","CC(C)c1nc(C/N=C(\O)N[C@H](/C(O)=N/[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)/N=C(\O)OCc2cncs2)C(C)C)cs1"
"3878","ZINC000026892643","ZINC26892643"," ","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl"
"3879","ZINC000026979265","ZINC26979265","N-Desmethyldiltiazem","CNCCN1C(=O)[C@H](OC(C)=O)[C@@H](c2ccc(OC)cc2)Sc2ccccc21"
"3880","ZINC000026985532","ZINC26985532","Sqv","CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"
"3881","ZINC000027324454","ZINC27324454","Desmethyladinazolam","NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2"
"3882","ZINC000027428713","ZINC27428713","Emend","C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"3883","ZINC000027552910","ZINC27552910"," ","CCS[C@]1(SC)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"3884","ZINC000027641461","ZINC27641461","Tham","CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O"
"3885","ZINC000027644800","ZINC27644800","Tafluprost Free Acid","O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@H]1O"
"3886","ZINC000027644806","ZINC27644806","Tafluprost Free Acid","O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1"
"3887","ZINC000027644813","ZINC27644813","Tafluprost Free Acid","O=C(O)CCC/C=C\C[C@H]1[C@H](/C=C/C(F)(F)COc2ccccc2)[C@@H](O)C[C@H]1O"
"3888","ZINC000027644820","ZINC27644820","Tafluprost Free Acid","O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@H]1/C=C/C(F)(F)COc1ccccc1"
"3889","ZINC000027990463","ZINC27990463","Lomitapide","O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1"
"3890","ZINC000028108825","ZINC28108825","Gadofosveset","O=C(O)CN(CCN(CC(=O)O)C[C@H](CO[P@](=O)(O)OC1CCC(c2ccccc2)(c2ccccc2)CC1)N(CC(=O)O)CC(=O)O)CC(=O)O"
"3891","ZINC000028232746","ZINC28232746","Valstar","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"3892","ZINC000028232750","ZINC28232750","Valstar","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"3893","ZINC000028232755","ZINC28232755","Valstar","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"3894","ZINC000028361970","ZINC28361970","5-Hydroxythalidomide","O=C1CC[C@@H](N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1"
"3895","ZINC000028361975","ZINC28361975","5-Hydroxythalidomide","O=C1CC[C@H](N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1"
"3896","ZINC000028467879","ZINC28467879","Ceftriaxone","CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1"
"3897","ZINC000028536264","ZINC28536264"," ","C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O"
"3898","ZINC000028631193","ZINC28631193","Homocaine","CCOC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C"
"3899","ZINC000028631694","ZINC28631694"," ","CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCCCCCC(=O)O)N[C@H]1C(=O)O"
"3900","ZINC000028639340","ZINC28639340","Noxafil","CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O"
"3901","ZINC000028643021","ZINC28643021","E-Flupentixol","OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"
"3902","ZINC000028870000","ZINC28870000"," ","O=C(/C=C/c1ccccc1)NCCCCN1CCc2ccccc2C1"
"3903","ZINC000028957444","ZINC28957444","Brilinta","CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1"
"3904","ZINC000028973441","ZINC28973441","Clorazepate","O=C(O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O"
"3905","ZINC000028973446","ZINC28973446","Clorazepate","O=C(O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O"
"3906","ZINC000029130869","ZINC29130869","2-Amino-5,6-Dichloro-3,4,-Dihydroquinazoline","N=C1NCc2c(ccc(Cl)c2Cl)N1"
"3907","ZINC000029210629","ZINC29210629"," ","COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC"
"3908","ZINC000029319828","ZINC29319828","Eprosartan","CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1"
"3909","ZINC000029338422","ZINC29338422","Ioflupane","COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2CCCF"
"3910","ZINC000029391220","ZINC29391220"," ","C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O"
"3911","ZINC000029407431","ZINC29407431","7-Hydroxyetodolac","CCc1c(O)ccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3"
"3912","ZINC000029407434","ZINC29407434","7-Hydroxyetodolac","CCc1c(O)ccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3"
"3913","ZINC000029415842","ZINC29415842","6-Oxo-Famciclovir","CC(=O)OCC(CCn1cnc2c(=O)[nH]c(N)nc21)COC(C)=O"
"3914","ZINC000029416466","ZINC29416466","Sqv","CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1"
"3915","ZINC000029489118","ZINC29489118","Flupentixol","OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1"
"3916","ZINC000029558088","ZINC29558088","O-Desmethyl-Lacosamide","CC(=O)N[C@H](CO)C(=O)NCc1ccccc1"
"3917","ZINC000029566455","ZINC29566455","Dehydroxyzyleuton","C[C@@H](NC(N)=O)c1cc2ccccc2s1"
"3918","ZINC000029566459","ZINC29566459","Dehydroxyzyleuton","C[C@H](NC(N)=O)c1cc2ccccc2s1"
"3919","ZINC000029571072","ZINC29571072","Isavuconazonium","CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1"
"3920","ZINC000029747100","ZINC29747100","Clodronate","O=P(O)(O)C(Cl)(Cl)P(=O)(O)O"
"3921","ZINC000030690433","ZINC30690433","Thiothixene","CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1"
"3922","ZINC000030690612","ZINC30690612"," ","C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)OCC(=O)C(C)(C)C"
"3923","ZINC000030690712","ZINC30690712","Amfecloral","C[C@H](Cc1ccccc1)/N=C/C(Cl)(Cl)Cl"
"3924","ZINC000030691420","ZINC30691420","Aclovate","C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl"
"3925","ZINC000030691445","ZINC30691445","Terizidone","O=C1NOC[C@@H]1/N=C/c1ccc(/C=N/[C@H]2CONC2=O)cc1"
"3926","ZINC000030691548","ZINC30691548","Tritoqualine","CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O"
"3927","ZINC000030691552","ZINC30691552","Tritoqualine","CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O"
"3928","ZINC000030691556","ZINC30691556","Tritoqualine","CCOc1c(N)c2c(c(OCC)c1OCC)[C@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O"
"3929","ZINC000030691561","ZINC30691561","Tritoqualine","CCOc1c(N)c2c(c(OCC)c1OCC)[C@@H]([C@@H]1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O"
"3930","ZINC000030691571","ZINC30691571","Gadobutrol","O=C(O)CN1CCN(CC(=O)O)CCN([C@H](CO)[C@@H](O)CO)CCN(CC(=O)O)CC1"
"3931","ZINC000030691574","ZINC30691574","Gadobutrol","O=C(O)CN1CCN(CC(=O)O)CCN([C@@H](CO)[C@H](O)CO)CCN(CC(=O)O)CC1"
"3932","ZINC000030691579","ZINC30691579","Gadobutrol","O=C(O)CN1CCN(CC(=O)O)CCN([C@@H](CO)[C@@H](O)CO)CCN(CC(=O)O)CC1"
"3933","ZINC000030691679","ZINC30691679","Alrex","C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OCCl"
"3934","ZINC000030691722","ZINC30691722"," ","O=C(O[C@@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1"
"3935","ZINC000030691727","ZINC30691727","Aclidinium","O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1"
"3936","ZINC000030691736","ZINC30691736","Apremilast","CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC"
"3937","ZINC000030691754","ZINC30691754","Betrixaban","COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1"
"3938","ZINC000030691760","ZINC30691760","Cleviprex","CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl"
"3939","ZINC000030691763","ZINC30691763","Cleviprex","CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl"
"3940","ZINC000030691797","ZINC30691797","Perampanel","N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O"
"3941","ZINC000030726187","ZINC30726187","Mmc","CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12"
"3942","ZINC000030726399","ZINC30726399","Betanidin","O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O)cc3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1"
"3943","ZINC000030726863","ZINC30726863","Cepharanthine","COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C"
"3944","ZINC000030731084","ZINC30731084","Apc","CCc1c2c(nc3ccc(OC(=O)N4CCC(NCCCCC(=O)O)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC"
"3945","ZINC000030731089","ZINC30731089","Desmethyl Tamoxifen","CC/C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1"
"3946","ZINC000030731093","ZINC30731093","Alpha-Hydroxy-N-Desmethyltamoxifen","CNCCOc1ccc(/C(=C(\c2ccccc2)[C@@H](C)O)c2ccccc2)cc1"
"3947","ZINC000030731098","ZINC30731098","Alpha-Hydroxy-N-Desmethyltamoxifen","CNCCOc1ccc(/C(=C(\c2ccccc2)[C@H](C)O)c2ccccc2)cc1"
"3948","ZINC000030731106","ZINC30731106"," ","O=P(NCCCl)(NCCCl)OCCCO"
"3949","ZINC000030731121","ZINC30731121","3-Hydroxymonoethylglycinexylidide","CCNCC(=O)Nc1c(C)ccc(O)c1C"
"3950","ZINC000030731133","ZINC30731133"," ","COc1ccc2c3c1O[C@H]1[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314"
"3951","ZINC000030731143","ZINC30731143","2-Hydroxyfelbamate","NC(=O)OCC(O)(COC(N)=O)c1ccccc1"
"3952","ZINC000030731152","ZINC30731152","P-Hydroxyfelbamate","NC(=O)OCC(COC(N)=O)c1ccc(O)cc1"
"3953","ZINC000030731156","ZINC30731156","3-Carbamoyl-2-Phenylpropionaldehyde","N=C(O)OC[C@@H](C=O)c1ccccc1"
"3954","ZINC000030731160","ZINC30731160","3-Carbamoyl-2-Phenylpropionaldehyde","N=C(O)OC[C@H](C=O)c1ccccc1"
"3955","ZINC000030731165","ZINC30731165","3-Carbamoyl-2-Phenylpropionic Acid","N=C(O)OC[C@@H](C(=O)O)c1ccccc1"
"3956","ZINC000030731169","ZINC30731169","3-Carbamoyl-2-Phenylpropionic Acid","N=C(O)OC[C@H](C(=O)O)c1ccccc1"
"3957","ZINC000030731184","ZINC30731184","4-Hydroxy-5-Phenyltetrahydro-1,3-Oxazin-2-One","OC1=N[C@@H](O)[C@@H](c2ccccc2)CO1"
"3958","ZINC000030731188","ZINC30731188","4-Hydroxy-5-Phenyltetrahydro-1,3-Oxazin-2-One","OC1=N[C@H](O)[C@@H](c2ccccc2)CO1"
"3959","ZINC000030731193","ZINC30731193","4-Hydroxy-5-Phenyltetrahydro-1,3-Oxazin-2-One","OC1=N[C@@H](O)[C@H](c2ccccc2)CO1"
"3960","ZINC000030731196","ZINC30731196","4-Hydroxy-5-Phenyltetrahydro-1,3-Oxazin-2-One","OC1=N[C@H](O)[C@H](c2ccccc2)CO1"
"3961","ZINC000030731200","ZINC30731200","5-Phenyl-1,3-Oxazinane-2,4-Dione","O=C1NC(=O)[C@@H](c2ccccc2)CO1"
"3962","ZINC000030731204","ZINC30731204","5-Phenyl-1,3-Oxazinane-2,4-Dione","O=C1NC(=O)[C@H](c2ccccc2)CO1"
"3963","ZINC000030731214","ZINC30731214","2,3-Dihydroxycarbamazepine","NC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc21"
"3964","ZINC000030731219","ZINC30731219","2-Hydroxyiminostilbene","Oc1ccc2c(c1)C=Cc1ccccc1N2"
"3965","ZINC000030731223","ZINC30731223","Carbamazepine-O-Quinone","N=C(O)[n+]1c2cc(O)c(=O)cc-2ccc2ccccc21"
"3966","ZINC000030731228","ZINC30731228","Citalopram Propionic Acid","N#Cc1ccc2c(c1)CO[C@@]2(CCC(=O)O)c1ccc(F)cc1"
"3967","ZINC000030731232","ZINC30731232","Citalopram Propionic Acid","N#Cc1ccc2c(c1)CO[C@]2(CCC(=O)O)c1ccc(F)cc1"
"3968","ZINC000030731247","ZINC30731247","Citalopram Aldehyde","N#Cc1ccc2c(c1)CO[C@]2(CCC=O)c1ccc(F)cc1"
"3969","ZINC000030731253","ZINC30731253","Citalopram Aldehyde","N#Cc1ccc2c(c1)CO[C@@]2(CCC=O)c1ccc(F)cc1"
"3970","ZINC000030731261","ZINC30731261","6-Thioinosine Triphosphate","O=P(O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O"
"3971","ZINC000030731290","ZINC30731290","6-Methylthioguanosine Monophosphate","CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O"
"3972","ZINC000030731295","ZINC30731295","Isoniazid Alpha-Ketoglutaric Acid","O=C(O)CC/C(=N\NC(=O)c1ccncc1)C(=O)O"
"3973","ZINC000030731319","ZINC30731319","Morphine 3-Glucuronide","CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5"
"3974","ZINC000030731330","ZINC30731330","(3z)-2-Propylpent-3-Enoic Acid","C/C=C\[C@H](CCC)C(=O)O"
"3975","ZINC000030731335","ZINC30731335","(3z)-2-Propylpent-3-Enoic Acid","C/C=C\[C@@H](CCC)C(=O)O"
"3976","ZINC000030731351","ZINC30731351","2-Ethyl-5-Methyl-3,3-Diphenyl-1-Pyrroline","CCC1=N[C@@H](C)CC1(c1ccccc1)c1ccccc1"
"3977","ZINC000030731355","ZINC30731355","2-Ethyl-5-Methyl-3,3-Diphenyl-1-Pyrroline","CCC1=N[C@H](C)CC1(c1ccccc1)c1ccccc1"
"3978","ZINC000030731379","ZINC30731379","18-Hydroxyretinoic Acid","CC(/C=C/C1=C(CO)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)O"
"3979","ZINC000030731384","ZINC30731384","Rac-5,6-Epoxy-Retinoate","CC(/C=C/[C@]12O[C@@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O"
"3980","ZINC000030731390","ZINC30731390","Rac-5,6-Epoxy-Retinoate","CC(/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O"
"3981","ZINC000031259460","ZINC31259460","N-Methylnicotinium","CN1CCC[C@H]1c1ccc[n+](C)c1"
"3982","ZINC000031261349","ZINC31261349","Chlothixen","CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21"
"3983","ZINC000031274852","ZINC31274852"," ","Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1"
"3984","ZINC000031290884","ZINC31290884","Lorazepam Glucuronide","O=C(O)[C@H]1O[C@@H](O[C@@H]2N=C(c3ccccc3Cl)c3cc(Cl)ccc3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3985","ZINC000031290887","ZINC31290887","Lorazepam Glucuronide","O=C(O)[C@H]1O[C@@H](O[C@H]2N=C(c3ccccc3Cl)c3cc(Cl)ccc3N=C2O)[C@H](O)[C@@H](O)[C@@H]1O"
"3986","ZINC000031291853","ZINC31291853","E2-3s-17s","C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O"
"3987","ZINC000031351604","ZINC31351604"," ","Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"
"3988","ZINC000031351607","ZINC31351607"," ","Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"
"3989","ZINC000031351610","ZINC31351610"," ","Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"
"3990","ZINC000031415830","ZINC31415830"," ","C[C@]12CC[C@@H]3[C@@H](CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O"
"3991","ZINC000031415834","ZINC31415834","4-Hydroxyandrostenedione Glucuronide","C[C@]12CC[C@H]3[C@@H](CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O"
"3992","ZINC000031415836","ZINC31415836"," ","C[C@]12CC[C@@H]3[C@H](CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O"
"3993","ZINC000031417974","ZINC31417974","Ketoprofen Glucuronide","C[C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1"
"3994","ZINC000031417978","ZINC31417978","Ketoprofen Glucuronide","C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(C(=O)c2ccccc2)c1"
"3995","ZINC000031425076","ZINC31425076","6-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)CCC[C@H](O)C1=O"
"3996","ZINC000031425077","ZINC31425077","6-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O"
"3997","ZINC000031425358","ZINC31425358","4-Hydroxyphenytoin Glucuronide","O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1"
"3998","ZINC000031425359","ZINC31425359","4-Hydroxyphenytoin Glucuronide","O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1"
"3999","ZINC000031425360","ZINC31425360","4-Hydroxyphenytoin Glucuronide","O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1"
"4000","ZINC000031425361","ZINC31425361","4-Hydroxyphenytoin Glucuronide","O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1"
"4001","ZINC000031439266","ZINC31439266"," ","O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(C2=NSCc3ccccc32)CC1"
"4002","ZINC000031440253","ZINC31440253","3',4'-Dihydrodiol","O=C1NC(=O)[C@](C2=C[C@H](O)[C@@H](O)C=C2)(c2ccccc2)N1"
"4003","ZINC000031440255","ZINC31440255","Phenytoin Dihydrodiol","O=C1NC(=O)[C@@](C2=C[C@H](O)[C@@H](O)C=C2)(c2ccccc2)N1"
"4004","ZINC000031456738","ZINC31456738","Tolmetin Glucuronide","Cc1ccc(C(=O)c2ccc(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2C)cc1"
"4005","ZINC000031460450","ZINC31460450"," ","C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4006","ZINC000031460590","ZINC31460590","Oxazepam Glucuronide","O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4007","ZINC000031460595","ZINC31460595","Oxazepam Glucuronide","O=C(O)[C@H]1O[C@@H](O[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](O)[C@@H](O)[C@@H]1O"
"4008","ZINC000031475642","ZINC31475642","15beta-Hydroxycyproterone Acetate","CC(=O)O[C@]1(C(C)=O)C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"4009","ZINC000031476880","ZINC31476880"," ","CCCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCCCC)CC[C@@H]12"
"4010","ZINC000031495147","ZINC31495147","Diphenhydramine N-Glucuronide","C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4011","ZINC000031544156","ZINC31544156","15beta-Hydroxycyproterone Acetate","CC(=O)O[C@]1(C(C)=O)C[C@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"4012","ZINC000031544837","ZINC31544837","Alpha-Hydroxysalmeterol","OCc1cc([C@@H](O)CNCCCCCCOCCC[C@@H](O)c2ccccc2)ccc1O"
"4013","ZINC000031544842","ZINC31544842","Alpha-Hydroxysalmeterol","OCc1cc([C@H](O)CNCCCCCCOCCC[C@@H](O)c2ccccc2)ccc1O"
"4014","ZINC000031544846","ZINC31544846","Alpha-Hydroxysalmeterol","OCc1cc([C@@H](O)CNCCCCCCOCCC[C@H](O)c2ccccc2)ccc1O"
"4015","ZINC000031544850","ZINC31544850","Alpha-Hydroxysalmeterol","OCc1cc([C@H](O)CNCCCCCCOCCC[C@H](O)c2ccccc2)ccc1O"
"4016","ZINC000031622969","ZINC31622969"," ","C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O"
"4017","ZINC000031622970","ZINC31622970"," ","C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O"
"4018","ZINC000031623149","ZINC31623149","Reposal","CCC1(C2=C[C@H]3CC[C@@H](C2)C3)C(=O)NC(=O)NC1=O"
"4019","ZINC000031705512","ZINC31705512","2hen-3s","C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O"
"4020","ZINC000031705519","ZINC31705519","2hen-3s","C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O"
"4021","ZINC000031707000","ZINC31707000","Olsalazine-O-Sulfate","O=C(O)C1=C/C(=N/Nc2ccc(OS(=O)(=O)O)c(C(=O)O)c2)C=CC1=O"
"4022","ZINC000031771185","ZINC31771185","Norcocaine","COC(=O)[C@H]1[C@@H](C(=O)Oc2ccccc2)C[C@@H]2CC[C@H]1N2"
"4023","ZINC000031771186","ZINC31771186","Norcocaine","COC(=O)[C@@H]1[C@@H](C(=O)Oc2ccccc2)C[C@@H]2CC[C@H]1N2"
"4024","ZINC000031771386","ZINC31771386"," ","CC(C)(O)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C"
"4025","ZINC000031996245","ZINC31996245"," ","CN1CCN(c2c(F)cc3c(c2F)[C@H](CCF)C=C(C(=O)O)C3=O)CC1"
"4026","ZINC000032209980","ZINC32209980","Promazine 5-Sulfoxide","CN(C)CCCN1c2ccccc2S(=O)c2ccccc21"
"4027","ZINC000032272342","ZINC32272342"," ","COc1cc([C@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)ccc1O"
"4028","ZINC000032272344","ZINC32272344"," ","COc1cc([C@@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)ccc1O"
"4029","ZINC000033359785","ZINC33359785","Ergoloid Mesylate","CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](C)N2C1=O"
"4030","ZINC000033506024","ZINC33506024","4-Hydroxymethylpyrazole","OCc1cn[nH]c1"
"4031","ZINC000033587910","ZINC33587910"," ","C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O"
"4032","ZINC000033650254","ZINC33650254","N-Nitroso-3-Hydroxypyrrolidine","O=NN1CC[C@@H](O)C1"
"4033","ZINC000033650255","ZINC33650255","N-Nitroso-3-Hydroxypyrrolidine","O=NN1CC[C@H](O)C1"
"4034","ZINC000033650458","ZINC33650458","N-Desmethyltoremifene","CNCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1"
"4035","ZINC000033753205","ZINC33753205","Thioguanosine 5'-Diphosphate","Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1"
"4036","ZINC000033889315","ZINC33889315"," ","C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)C[C@H](O)[C@@H]1O"
"4037","ZINC000033902346","ZINC33902346","Mga","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"4038","ZINC000033902810","ZINC33902810"," ","O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O"
"4039","ZINC000033903112","ZINC33903112","Dopamine-4-O-Glucuronide","NCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1"
"4040","ZINC000033943508","ZINC33943508","Dcva","CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)O)C(C)(C)CCC1"
"4041","ZINC000033944288","ZINC33944288","Hydroxyclomipramine","CN(C)CCCN1c2ccccc2C[C@H](O)c2ccc(Cl)cc21"
"4042","ZINC000033944289","ZINC33944289","Hydroxyclomipramine","CN(C)CCCN1c2ccccc2C[C@@H](O)c2ccc(Cl)cc21"
"4043","ZINC000033955058","ZINC33955058","Retinylglucuronide","CC1=C(/C=C/C(C)=C\C=C\C(C)=C/CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1"
"4044","ZINC000033955641","ZINC33955641"," ","CC1=C(/C=C/C(C)=C/C=C\C(C)=C/CO)C(C)(C)CCC1"
"4045","ZINC000033956087","ZINC33956087"," ","CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O"
"4046","ZINC000033956088","ZINC33956088"," ","CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O"
"4047","ZINC000033956089","ZINC33956089"," ","CC#CC[C@@H](C)[C@@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O"
"4048","ZINC000033956090","ZINC33956090"," ","CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H]2C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)C[C@@H]2C[C@H]1O"
"4049","ZINC000033963989","ZINC33963989"," ","C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O"
"4050","ZINC000033965961","ZINC33965961"," ","O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)[C@H](COCc1ccccc1)C(=O)O"
"4051","ZINC000033971074","ZINC33971074"," ","O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4052","ZINC000033972992","ZINC33972992"," ","COc1ccc(Oc2cc(N(C)CCOc3ccc(C[C@H]4SC(=O)NC4=O)cc3)ncn2)cc1"
"4053","ZINC000033972993","ZINC33972993"," ","COc1ccc(Oc2cc(N(C)CCOc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)ncn2)cc1"
"4054","ZINC000033986664","ZINC33986664","7-Hydroxy-R-Phenprocoumon","CC[C@H](c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O"
"4055","ZINC000033986666","ZINC33986666","6-Hydroxy-R-Phenprocoumon","CC[C@H](c1ccccc1)c1c(O)c2cc(O)ccc2oc1=O"
"4056","ZINC000033994719","ZINC33994719","2-Oxomelatonin","COc1ccc2c(c1)[C@H](CCNC(C)=O)C(=O)N2"
"4057","ZINC000033995986","ZINC33995986","Airol","CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)O)C(C)(C)CCC1"
"4058","ZINC000034017641","ZINC34017641"," ","C[C@H](C(=O)O)c1cccc(C[C@@H]2CCCC2=O)c1"
"4059","ZINC000034017642","ZINC34017642"," ","C[C@@H](C(=O)O)c1cccc(C[C@@H]2CCCC2=O)c1"
"4060","ZINC000034017643","ZINC34017643"," ","C[C@H](C(=O)O)c1cccc(C[C@H]2CCCC2=O)c1"
"4061","ZINC000034017644","ZINC34017644"," ","C[C@@H](C(=O)O)c1cccc(C[C@H]2CCCC2=O)c1"
"4062","ZINC000034045468","ZINC34045468","Tiprolisant","Clc1ccc(CCCOCCCN2CCCCC2)cc1"
"4063","ZINC000034049000","ZINC34049000","N-Desmethylrosuvastatin","CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O"
"4064","ZINC000034049485","ZINC34049485"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"4065","ZINC000034051848","ZINC34051848","Vortioxetine","Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1"
"4066","ZINC000034089131","ZINC34089131"," ","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C"
"4067","ZINC000034092806","ZINC34092806","8-Hydroxydesmethylclomipramine","CNCCCN1c2ccc(O)cc2CCc2ccc(Cl)cc21"
"4068","ZINC000034093119","ZINC34093119","B-Dihydrotetrabenazine","COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@@H](CC(C)C)CN1CC2"
"4069","ZINC000034104937","ZINC34104937","N-Desalkyludenafil","CCCOc1ccc(S(N)(=O)=O)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1"
"4070","ZINC000034108591","ZINC34108591","Mycophenolic Acid O-Acyl-Glucuronide","COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2"
"4071","ZINC000034114798","ZINC34114798","Baicalein 7-O-Glucuronide","O=C(O)[C@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O"
"4072","ZINC000034125842","ZINC34125842"," ","CN1C[C@@H]2c3cc(Cl)ccc3Oc3ccccc3[C@@H]2C1"
"4073","ZINC000034141652","ZINC34141652","Clopidogrel Thiolactone","COC(=O)[C@H](c1ccccc1Cl)N1CC[C@H]2SC(=O)C=C2C1"
"4074","ZINC000034150775","ZINC34150775","6-Allyl-8b-Carboxy-Ergoline","C=CCN1C[C@H](C(=O)O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21"
"4075","ZINC000034150776","ZINC34150776","6-Allyl-8b-Carboxy-Ergoline","C=CCN1C[C@@H](C(=O)O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21"
"4076","ZINC000034176696","ZINC34176696"," ","CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"4077","ZINC000034187835","ZINC34187835","2',2'-Difluorodeoxyuridine","O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]1"
"4078","ZINC000034220093","ZINC34220093","Flutemetamol","CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F"
"4079","ZINC000034230491","ZINC34230491"," ","CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O"
"4080","ZINC000034303655","ZINC34303655","Hydroxytorsemide","CC(C)N/C(O)=N\S(=O)(=O)c1cnccc1Nc1cccc(CO)c1"
"4081","ZINC000034401276","ZINC34401276","4-Carboxynevirapine","O=C1Nc2c(C(=O)O)ccnc2N(C2CC2)c2ncccc21"
"4082","ZINC000034468397","ZINC34468397","N-Despropyl-Rotigotine","Oc1cccc2c1CC[C@H](NCCc1cccs1)C2"
"4083","ZINC000034468399","ZINC34468399","N-Despropyl-Rotigotine","Oc1cccc2c1CC[C@@H](NCCc1cccs1)C2"
"4084","ZINC000034602275","ZINC34602275"," ","Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1"
"4085","ZINC000034608502","ZINC34608502","Umeclidinium","OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2"
"4086","ZINC000034620394","ZINC34620394","N-Despyridinyl Rosiglitazone","CNCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1"
"4087","ZINC000034620396","ZINC34620396","N-Despyridinyl Rosiglitazone","CNCCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1"
"4088","ZINC000034636383","ZINC34636383","Olodaterol","COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1"
"4089","ZINC000034646291","ZINC34646291","8-Hydroxyclomipramine","CN(C)CCCN1c2ccc(O)cc2CCc2ccc(Cl)cc21"
"4090","ZINC000034676244","ZINC34676244","Levcycloserine","N[C@H]1CON=C1O"
"4091","ZINC000034676245","ZINC34676245","D-Cycloserine","N[C@@H]1CON=C1O"
"4092","ZINC000034781704","ZINC34781704","Clopidogrel","COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1"
"4093","ZINC000034806477","ZINC34806477","Xtandi","CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F"
"4094","ZINC000034886826","ZINC34886826"," ","C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O"
"4095","ZINC000034967244","ZINC34967244","Pivaloylampicillin","CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C"
"4096","ZINC000035024346","ZINC35024346"," ","O=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@H]12"
"4097","ZINC000035048352","ZINC35048352","Diclofenac Acyl Glucuronide","O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4098","ZINC000035051264","ZINC35051264"," ","CN(C)[C@@H]1C(O)=C(C(=N)O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12"
"4099","ZINC000035328014","ZINC35328014","Ibrutinib","C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1"
"4100","ZINC000035342787","ZINC35342787","Comtan","CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1"
"4101","ZINC000035342789","ZINC35342789","Tasmar","Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1"
"4102","ZINC000035635997","ZINC35635997","Norketamine","N[C@@]1(c2ccccc2Cl)CCCCC1=O"
"4103","ZINC000035635999","ZINC35635999","Norketamine","N[C@]1(c2ccccc2Cl)CCCCC1=O"
"4104","ZINC000035644633","ZINC35644633"," ","CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCC[C@H](O)C2)ccc1C(=O)O"
"4105","ZINC000035644637","ZINC35644637"," ","CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2N2CCC[C@H](O)C2)ccc1C(=O)O"
"4106","ZINC000035653007","ZINC35653007","Prasugrel","CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1F)C2"
"4107","ZINC000035653009","ZINC35653009","Prasugrel","CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1ccccc1F)C2"
"4108","ZINC000035801098","ZINC35801098","Indacaterol","CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2"
"4109","ZINC000035902489","ZINC35902489","Xalkori","C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl"
"4110","ZINC000035999642","ZINC35999642","Ketamine","CN[C@]1(c2ccccc2Cl)CCCCC1=O"
"4111","ZINC000036056301","ZINC36056301","Fluoxetine Glucuronide","CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21"
"4112","ZINC000036079847","ZINC36079847","Monoctanoin","CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC"
"4113","ZINC000036177510","ZINC36177510","Benzoylecgonine","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)O"
"4114","ZINC000036190184","ZINC36190184","Seratrodast","CC1=C(C)C(=O)C([C@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O"
"4115","ZINC000036268680","ZINC36268680","Sibenadet","O=c1[nH]c2c(O)ccc(CCNCCS(=O)(=O)CCCOCCc3ccccc3)c2s1"
"4116","ZINC000036294079","ZINC36294079","Ketamine","CN[C@@]1(c2ccccc2Cl)CCCCC1=O"
"4117","ZINC000036378574","ZINC36378574","Bacampicillin","CCOC(=O)O[C@@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C"
"4118","ZINC000036378575","ZINC36378575","Bacampicillin","CCOC(=O)O[C@H](C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C"
"4119","ZINC000036387179","ZINC36387179"," ","CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C"
"4120","ZINC000036401375","ZINC36401375","N-Monodesmethyl-Rizatriptan","CN(C)CCc1c[nH]c2cc(O)c(Cn3cncn3)cc12"
"4121","ZINC000036401969","ZINC36401969","Fenoprofen Glucuronide","C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1"
"4122","ZINC000036401970","ZINC36401970","Fenoprofen Glucuronide","C[C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1"
"4123","ZINC000036520252","ZINC36520252","Empagliflozin","OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O"
"4124","ZINC000036533634","ZINC36533634","Aminoethoxyacetic Acid","NCCOCC(=O)O"
"4125","ZINC000036701290","ZINC36701290","Ponatinib","Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12"
"4126","ZINC000036766734","ZINC36766734"," ","CC1=C(/C=C\C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1"
"4127","ZINC000037253587","ZINC37253587","Ethylenediamine","NCCN"
"4128","ZINC000037475297","ZINC37475297"," ","COC(=O)c1c(N)cc(Cl)cc1Cl"
"4129","ZINC000037634012","ZINC37634012","Dihydroisomorphine","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"4130","ZINC000037866091","ZINC37866091","Pyritinol","Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O"
"4131","ZINC000037868226","ZINC37868226"," ","C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]12"
"4132","ZINC000038139367","ZINC38139367","Trichlormethine","ClCCN(CCCl)CCCl"
"4133","ZINC000038139856","ZINC38139856","Dhb","CS(=O)(=O)OC[C@H](O)[C@H](O)COS(C)(=O)=O"
"4134","ZINC000038139973","ZINC38139973","Efonidipine","CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1"
"4135","ZINC000038140872","ZINC38140872"," ","CN[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C"
"4136","ZINC000038140873","ZINC38140873","Mecamylamine","CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C"
"4137","ZINC000038141705","ZINC38141705","Azelnidipine","CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1"
"4138","ZINC000038141706","ZINC38141706","Azelnidipine","CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1"
"4139","ZINC000038141918","ZINC38141918"," ","CCCCCCCC[N+](C)(C)CCCCCCCC"
"4140","ZINC000038144598","ZINC38144598","Alexidine","CCCC[C@H](CC)C/N=C(N)\N=C(\N)NCCCCCCNC(=N)N/C(N)=N/C[C@H](CC)CCCC"
"4141","ZINC000038150745","ZINC38150745","6-O-Desmethyl-Mycophenolic Acid","C/C(=C/Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O"
"4142","ZINC000038174297","ZINC38174297"," ","N[C@@H]1CCCC[C@H]1N"
"4143","ZINC000038174299","ZINC38174299"," ","N[C@H]1CCCC[C@@H]1N"
"4144","ZINC000038197764","ZINC38197764","Zymar","COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12"
"4145","ZINC000038212689","ZINC38212689","Carac","O=c1[nH]cc(F)c(=O)[nH]1"
"4146","ZINC000038213879","ZINC38213879","4-Hydroxy-Estazolam","O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21"
"4147","ZINC000038213880","ZINC38213880","4-Hydroxy-Estazolam","O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2cnnc21"
"4148","ZINC000038421485","ZINC38421485","2-Hydroxyclomipramine","CN(C)CCCN1c2ccccc2CCc2cc(O)c(Cl)cc21"
"4149","ZINC000038460704","ZINC38460704","Binimetinib","Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21"
"4150","ZINC000038523228","ZINC38523228","Nortropanoline","O[C@H]1[C@H](O)[C@H](O)[C@@H]2CC[C@@]1(O)N2"
"4151","ZINC000038601097","ZINC38601097","5-Hydroxysulfamethoxazole","Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1"
"4152","ZINC000038601228","ZINC38601228","Norhydromorphone","O=C1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3)[C@H]1O5"
"4153","ZINC000038602050","ZINC38602050"," ","CO[C@]12C[C@@H](CO)CN(C)[C@H]1Cc1c[nH]c3cccc2c13"
"4154","ZINC000038608147","ZINC38608147","Captopril-Cysteine Disulfide","C[C@H](CSSC[C@H](N)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O"
"4155","ZINC000038611810","ZINC38611810","6alpha,9alpha-Difluoroprednisolone-17-Butyrate","CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"4156","ZINC000038657182","ZINC38657182"," ","CC1=C(/C=C\C(C)=C/C=C\C(C)=C/CO)C(C)(C)CCC1"
"4157","ZINC000038683574","ZINC38683574","3-Hydroxyropivacaine","CCCN1CCCC[C@@H]1/C(O)=N/c1c(C)ccc(O)c1C"
"4158","ZINC000038726563","ZINC38726563","3,4-Dihydroxy-Tamoxifen","CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O)c(O)c1)c1ccccc1"
"4159","ZINC000038810990","ZINC38810990","Hydralazine Pyruvate Hydrazone","C/C(=N\Nc1nncc2ccccc12)C(=O)O"
"4160","ZINC000038841038","ZINC38841038"," ","CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"4161","ZINC000038929224","ZINC38929224","Meta-O-Dealkylated Flecainide Lactam","O=C1CCC[C@@H](CNC(=O)c2cc(O)ccc2OCC(F)(F)F)N1"
"4162","ZINC000038929225","ZINC38929225","Meta-O-Dealkylated Flecainide Lactam","O=C1CCC[C@H](CNC(=O)c2cc(O)ccc2OCC(F)(F)F)N1"
"4163","ZINC000038945666","ZINC38945666","Ravicti","O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1"
"4164","ZINC000039163942","ZINC39163942"," ","COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@H]2C(=O)O)OCO4)cc(OC)c1OC"
"4165","ZINC000039208822","ZINC39208822"," ","O[C@@H]1CN(Cc2ccccc2Cl)Cc2ccsc21"
"4166","ZINC000039208823","ZINC39208823"," ","O[C@H]1CN(Cc2ccccc2Cl)Cc2ccsc21"
"4167","ZINC000039252793","ZINC39252793","Hydroxyethyl Glycine","NCC(=O)OCCO"
"4168","ZINC000039472044","ZINC39472044","3-(4-Hydroxy-3-Methoxyphenyl)-2-Methyllactic Acid","COc1cc(C[C@@](C)(O)C(=O)O)ccc1O"
"4169","ZINC000039472045","ZINC39472045","3-(4-Hydroxy-3-Methoxyphenyl)-2-Methyllactic Acid","COc1cc(C[C@](C)(O)C(=O)O)ccc1O"
"4170","ZINC000040017475","ZINC40017475","Cloxazolam","O=C1CN2CCO[C@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1"
"4171","ZINC000040017476","ZINC40017476","Cloxazolam","O=C1CN2CCO[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1"
"4172","ZINC000040164427","ZINC40164427"," ","CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C"
"4173","ZINC000040164432","ZINC40164432"," ","CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C"
"4174","ZINC000040164440","ZINC40164440"," ","C[C@]12CC[C@@H]3[C@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4175","ZINC000040164442","ZINC40164442"," ","C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4176","ZINC000040164488","ZINC40164488"," ","C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12"
"4177","ZINC000040165202","ZINC40165202"," ","C[C@]12CC[C@@H]3[C@@H](CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)[C@H]1CCC2=O"
"4178","ZINC000040165203","ZINC40165203"," ","C[C@]12CC[C@@H]3[C@H](CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)[C@H]1CCC2=O"
"4179","ZINC000040165209","ZINC40165209"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC(=O)[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4180","ZINC000040165217","ZINC40165217"," ","C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4181","ZINC000040165218","ZINC40165218"," ","C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4182","ZINC000040165219","ZINC40165219"," ","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O"
"4183","ZINC000040165220","ZINC40165220"," ","C[C@]12CC[C@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O"
"4184","ZINC000040165221","ZINC40165221"," ","C[C@]12CC[C@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O"
"4185","ZINC000040165222","ZINC40165222","Epinephrine Glucuronide","CNC[C@H](O)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1"
"4186","ZINC000040165228","ZINC40165228"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4187","ZINC000040165229","ZINC40165229"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4188","ZINC000040165230","ZINC40165230"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4189","ZINC000040165231","ZINC40165231"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4190","ZINC000040165238","ZINC40165238"," ","C=C1CC[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"4191","ZINC000040165239","ZINC40165239"," ","C=C1CC[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"4192","ZINC000040165240","ZINC40165240"," ","C=C1CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"4193","ZINC000040165241","ZINC40165241"," ","C=C1CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C"
"4194","ZINC000040165247","ZINC40165247"," ","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4195","ZINC000040165249","ZINC40165249"," ","C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4196","ZINC000040165255","ZINC40165255"," ","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4197","ZINC000040165256","ZINC40165256"," ","C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O"
"4198","ZINC000040165257","ZINC40165257"," ","C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O"
"4199","ZINC000040165258","ZINC40165258"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"4200","ZINC000040165263","ZINC40165263"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4201","ZINC000040165264","ZINC40165264"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4202","ZINC000040165265","ZINC40165265"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4203","ZINC000040165266","ZINC40165266"," ","C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"4204","ZINC000040429456","ZINC40429456"," ","CO[C@@H]1C(=O)CC[C@]2(CO2)[C@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C"
"4205","ZINC000040430143","ZINC40430143","Olaparib","O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1"
"4206","ZINC000040899447","ZINC40899447","Erivedge","CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1"
"4207","ZINC000040916117","ZINC40916117","6-Hydroxygliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3[C@H](O)CC[C@H]3C2)cc1"
"4208","ZINC000040952813","ZINC40952813","3-(3,4-Dihydroxyphenyl)-2-Methylpropionic Acid","C[C@H](Cc1ccc(O)c(O)c1)C(=O)O"
"4209","ZINC000042834847","ZINC42834847","Sultamicillin","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C"
"4210","ZINC000043100709","ZINC43100709","Trametinib","CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1"
"4211","ZINC000043100810","ZINC43100810","Delamanid","C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1"
"4212","ZINC000043100953","ZINC43100953","Tedizolid Phosphate","Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1"
"4213","ZINC000043131420","ZINC43131420","Fostamatinib","COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC"
"4214","ZINC000043174901","ZINC43174901"," ","CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F"
"4215","ZINC000043194409","ZINC43194409","Florbetaben","CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1"
"4216","ZINC000043195321","ZINC43195321"," ","CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F"
"4217","ZINC000043195697","ZINC43195697","Valbenazine","COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2"
"4218","ZINC000043200832","ZINC43200832","Edoxaban","CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1"
"4219","ZINC000043202140","ZINC43202140","Opsumit","CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1"
"4220","ZINC000043205655","ZINC43205655","Telotristat Ethyl","CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1"
"4221","ZINC000043206271","ZINC43206271","Tafamidis","O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1"
"4222","ZINC000043206370","ZINC43206370","Niraparib","NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12"
"4223","ZINC000043207237","ZINC43207237","Florbetapir","CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1"
"4224","ZINC000043207238","ZINC43207238","Canagliflozin","Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1"
"4225","ZINC000043207566","ZINC43207566"," ","C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1"
"4226","ZINC000043207851","ZINC43207851","Ruxolitinib","N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1"
"4227","ZINC000043450324","ZINC43450324","Synribo","COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4"
"4228","ZINC000043450326","ZINC43450326","Synribo","COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4"
"4229","ZINC000043606386","ZINC43606386"," ","CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C"
"4230","ZINC000043677060","ZINC43677060"," ","C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O"
"4231","ZINC000043710727","ZINC43710727"," ","C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O"
"4232","ZINC000043763856","ZINC43763856","Mecamylamine","CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C"
"4233","ZINC000043845871","ZINC43845871","Mitomycin B","COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C"
"4234","ZINC000044020714","ZINC44020714"," ","C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@H]1CCC2=O"
"4235","ZINC000044699444","ZINC44699444","Norendoxifen","CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1"
"4236","ZINC000044963061","ZINC44963061"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@@H]3CC[C@@]21CC"
"4237","ZINC000044963475","ZINC44963475"," ","C[C@]12C[C@H](O)[C@@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO"
"4238","ZINC000044963477","ZINC44963477"," ","C[C@]12C[C@H](O)[C@@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"4239","ZINC000044964012","ZINC44964012"," ","Oc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314"
"4240","ZINC000044964014","ZINC44964014"," ","Oc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314"
"4241","ZINC000049013803","ZINC49013803","4r-Hydroxy Solifenacin","O=C(O[C@@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@@H]1c1ccccc1"
"4242","ZINC000049036447","ZINC49036447","Suvorexant","Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1"
"4243","ZINC000049089868","ZINC49089868","Lorcam","CN1/C(=C(/O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O"
"4244","ZINC000049637509","ZINC49637509","Isavuconazonium","CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1"
"4245","ZINC000049643479","ZINC49643479","Oxaprozin","O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1"
"4246","ZINC000049682739","ZINC49682739"," ","CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC"
"4247","ZINC000049783754","ZINC49783754","Indacaterol-8-O-Glucuronide","CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2"
"4248","ZINC000049783788","ZINC49783788","Valrubicin","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"4249","ZINC000049799668","ZINC49799668"," ","NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O"
"4250","ZINC000049841054","ZINC49841054","Kyprolis","CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1"
"4251","ZINC000049852136","ZINC49852136","Fusafungine","CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C"
"4252","ZINC000049918329","ZINC49918329"," ","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"4253","ZINC000049918330","ZINC49918330"," ","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"4254","ZINC000049925459","ZINC49925459","Pilsicainide","Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2"
"4255","ZINC000049933061","ZINC49933061","Dronedarone","CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1"
"4256","ZINC000051133897","ZINC51133897","Piroxicam","CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O"
"4257","ZINC000051951647","ZINC51951647"," ","Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C\C(=O)NO)cc1"
"4258","ZINC000052245489","ZINC52245489","Ixempra","C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)N1"
"4259","ZINC000052509366","ZINC52509366","Zelboraf","CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F"
"4260","ZINC000052509463","ZINC52509463","Vx-770","CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O"
"4261","ZINC000052716421","ZINC52716421","Flibanserin","O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1"
"4262","ZINC000052955754","ZINC52955754","Ergotamine","CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21"
"4263","ZINC000052957434","ZINC52957434","Zyprexa","Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1"
"4264","ZINC000052971887","ZINC52971887","Eflornithine","NCCC[C@](N)(C(=O)O)C(F)F"
"4265","ZINC000052981502","ZINC52981502","Netilmicin","CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O"
"4266","ZINC000052986906","ZINC52986906","L-Daba","NCC[C@H](N)C(=O)O"
"4267","ZINC000053006806","ZINC53006806","Spectinomycin","CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12"
"4268","ZINC000053021870","ZINC53021870","Etozolin","CCOC(=O)/C=C1\S[C@@H](N2CCCCC2)C(=O)N1C"
"4269","ZINC000053021871","ZINC53021871","Etozolin","CCOC(=O)/C=C1\S[C@H](N2CCCCC2)C(=O)N1C"
"4270","ZINC000053022902","ZINC53022902","Eflornithine","NCCC[C@@](N)(C(=O)O)C(F)F"
"4271","ZINC000053045054","ZINC53045054","Phenoxybenzamine","C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1"
"4272","ZINC000053045055","ZINC53045055","Phenoxybenzamine","C[C@H](COc1ccccc1)N(CCCl)Cc1ccccc1"
"4273","ZINC000053073961","ZINC53073961","Antrafenine","O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12"
"4274","ZINC000053084618","ZINC53084618","Pargyline","C#CCN(C)Cc1ccccc1"
"4275","ZINC000053084692","ZINC53084692","Safinamide","C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O"
"4276","ZINC000053122793","ZINC53122793","2,4-Diaminobutyrate","NCC[C@@H](N)C(=O)O"
"4277","ZINC000053151228","ZINC53151228","Methysergide","CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1"
"4278","ZINC000053166256","ZINC53166256","2-Hydroxymethylolanzapine","CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1"
"4279","ZINC000053174604","ZINC53174604","Ergonovine","C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"
"4280","ZINC000053229445","ZINC53229445","Rocuronium","C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1"
"4281","ZINC000053231207","ZINC53231207","Methysergid","CC[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1"
"4282","ZINC000053255716","ZINC53255716","Ribostamycin","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"4283","ZINC000053682936","ZINC53682936","Cltc","CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"4284","ZINC000053683148","ZINC53683148","Reserpinin","COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC"
"4285","ZINC000053683151","ZINC53683151","Bromocriptine","CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
"4286","ZINC000053683271","ZINC53683271"," ","CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)\C=C/CNC(=O)/C=C\[C@@H](C)[C@@H](C(C)C)OC(=O)[C@H]12"
"4287","ZINC000053683345","ZINC53683345","Caprelsa","COc1cc2/c(=N\c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1"
"4288","ZINC000053683690","ZINC53683690"," ","C[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O"
"4289","ZINC000053683694","ZINC53683694","Ginkgolide M","C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O"
"4290","ZINC000053684012","ZINC53684012"," ","NC[C@@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](N)C[C@H]2N)[C@@H](N)[C@H](O)[C@H]1O"
"4291","ZINC000054053579","ZINC54053579","Dalfopristin","CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)\C=C/CNC(=O)/C=C\[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12"
"4292","ZINC000055161176","ZINC55161176","Propacetamol","CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1"
"4293","ZINC000055161806","ZINC55161806"," ","CSn1c(-c2nccc(OCC(F)(F)F)c2C)nc2ccccc21"
"4294","ZINC000056897668","ZINC56897668","Perflubutane","FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F"
"4295","ZINC000058541114","ZINC58541114"," ","C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CC[C@H]2O"
"4296","ZINC000058563753","ZINC58563753"," ","CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1OC(C)=O"
"4297","ZINC000058581064","ZINC58581064","Dolutegravir","C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21"
"4298","ZINC000059085003","ZINC59085003"," ","CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N"
"4299","ZINC000059111167","ZINC59111167"," ","[C-]#[N+]CC(C)(C)OC"
"4300","ZINC000059660513","ZINC59660513"," ","CCCCCCCCCCCCOC(=O)CS(=O)(=O)O"
"4301","ZINC000059719687","ZINC59719687","Bms241423","CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O"
"4302","ZINC000060183170","ZINC60183170","Paromomycin","NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"4303","ZINC000060183177","ZINC60183177"," ","CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@@H](O)[C@H](O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O"
"4304","ZINC000060183860","ZINC60183860","Doxorubicinol","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1"
"4305","ZINC000060184545","ZINC60184545","Rosaramicin","CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C"
"4306","ZINC000060195421","ZINC60195421"," ","CCCCCCCCCC[N+](C)(C)CCCCCCCC"
"4307","ZINC000060292466","ZINC60292466"," ","CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](O)CO)OC(=O)CCCCCCCCCCCCC"
"4308","ZINC000060325170","ZINC60325170","Cobimetinib","O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1"
"4309","ZINC000060392779","ZINC60392779"," ","CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O"
"4310","ZINC000060392785","ZINC60392785","Gadofosveset","O=C(O)CN(CCN(CC(=O)O)C[C@@H](CO[P@](=O)(O)OC1CCC(c2ccccc2)(c2ccccc2)CC1)N(CC(=O)O)CC(=O)O)CC(=O)O"
"4311","ZINC000061389419","ZINC61389419"," ","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"4312","ZINC000061947269","ZINC61947269"," ","Oc1ccc2c3c1O[C@@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"
"4313","ZINC000062227227","ZINC62227227","N-Acetylserotonin Glucuronide","CC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc12"
"4314","ZINC000062227230","ZINC62227230","N-Acetylserotonin Glucuronide","CC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc12"
"4315","ZINC000062227233","ZINC62227233","N-Acetylserotonin Sulfate","CC(=O)NCCc1c[nH]c2ccc(OS(=O)(=O)O)cc12"
"4316","ZINC000063539381","ZINC63539381"," ","N#CC[C@@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1"
"4317","ZINC000064033452","ZINC64033452","Lumacaftor","Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1"
"4318","ZINC000064622163","ZINC64622163","Dextran","O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"
"4319","ZINC000064622550","ZINC64622550","Flupenthixol","OCCN1CCN(CC/C=C2/c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1"
"4320","ZINC000064622553","ZINC64622553","Flupenthixol","OCCN1CCN(CC/C=C2/c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1"
"4321","ZINC000064622556","ZINC64622556"," ","CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O"
"4322","ZINC000064622628","ZINC64622628","Tamoxifen-N-Glucuronide","CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1"
"4323","ZINC000064624931","ZINC64624931","Carfenazine","CCC(=O)c1ccc2c(c1)N(CCN1CCN(CCO)CC1)c1ccccc1S2"
"4324","ZINC000064637995","ZINC64637995"," ","C[C@H]1CC[C@@H]2[C@H](C)[C@H](O)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4"
"4325","ZINC000064637997","ZINC64637997"," ","C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@]4(C)OO[C@]23[C@@H](O[C@H]1O)O4"
"4326","ZINC000065739349","ZINC65739349","Thienodihydropyridinium","Clc1ccccc1C[N+]1=Cc2ccsc2CC1"
"4327","ZINC000065739985","ZINC65739985","N-Monodemethylolopatadine","CNCC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21"
"4328","ZINC000065739999","ZINC65739999","N-Desmethyl Tapentadol","CC[C@@H](c1cccc(O)c1)[C@@H](C)CNC"
"4329","ZINC000065740669","ZINC65740669","Doxepin N-Oxide","C[N+](C)([O-])CC/C=C1\c2ccccc2COc2ccccc21"
"4330","ZINC000065740836","ZINC65740836","Ethionamide Sulphoxide","CCc1cc(C(N)=S=O)ccn1"
"4331","ZINC000065742834","ZINC65742834","5-Hydroxybuspirone","O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncc(O)cn2)CC1"
"4332","ZINC000065742963","ZINC65742963","3-Hydroxynevirapine","Cc1c(O)cnc2c1NC(=O)c1cccnc1N2C1CC1"
"4333","ZINC000065743122","ZINC65743122","Lamivudine-Triphosphate","Nc1ccn([C@H]2CS[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)n1"
"4334","ZINC000065743123","ZINC65743123","Lamivudine-Triphosphate","Nc1ccn([C@@H]2CS[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)n1"
"4335","ZINC000065748339","ZINC65748339","2-Oxoticlopidine","O=C1C=C2CN(Cc3ccccc3Cl)CC[C@H]2S1"
"4336","ZINC000065748340","ZINC65748340","2-Oxoticlopidine","O=C1C=C2CN(Cc3ccccc3Cl)CC[C@@H]2S1"
"4337","ZINC000065749696","ZINC65749696","Zileuton Sulfoxide","C[C@@H](C1=Cc2ccccc2S1=O)N(O)C(N)=O"
"4338","ZINC000065749697","ZINC65749697","Zileuton Sulfoxide","C[C@H](C1=Cc2ccccc2S1=O)N(O)C(N)=O"
"4339","ZINC000066166864","ZINC66166864","Alectinib","CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O"
"4340","ZINC000066322931","ZINC66322931"," ","O=C1SCN(Cc2ccccc2)CN1Cc1ccccc1"
"4341","ZINC000066322939","ZINC66322939"," ","Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](C)C2)CC1"
"4342","ZINC000066322943","ZINC66322943"," ","Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](C)C2)CC1"
"4343","ZINC000067664978","ZINC67664978","O-Deethylated Candesartan","O=C(O)c1cccc2[nH]c(=O)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12"
"4344","ZINC000067665085","ZINC67665085"," ","CCCCC(=O)NC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CCCC1"
"4345","ZINC000067665351","ZINC67665351","Ramipril Diketopiperazine","CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)[C@@H]1C"
"4346","ZINC000067665433","ZINC67665433","N-Dealkylated Tolterodine","Cc1ccc(O)c([C@H](CCNC(C)C)c2ccccc2)c1"
"4347","ZINC000068045176","ZINC68045176"," ","COc1cc2c(cc1OC)[C@@H]1C[C@@H](O)[C@H](CC(C)C)CN1CC2"
"4348","ZINC000068150640","ZINC68150640","Plazomicin","CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O"
"4349","ZINC000068153186","ZINC68153186","Dabrafenib","CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1"
"4350","ZINC000068197809","ZINC68197809","Ertugliflozin","CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1"
"4351","ZINC000068202099","ZINC68202099","Erismodegib","Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1"
"4352","ZINC000068204830","ZINC68204830","Daclatasvir","COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C"
"4353","ZINC000068206930","ZINC68206930"," ","CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO"
"4354","ZINC000068247389","ZINC68247389"," ","COc1c(OCCCN2CCOCC2)ccc2c1N=C(/N=C(\O)c1cnc(N)nc1)N1CCN=C21"
"4355","ZINC000068249103","ZINC68249103","Encorafenib","COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1"
"4356","ZINC000070466416","ZINC70466416","Cabozantinib","COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC"
"4357","ZINC000071757964","ZINC71757964"," ","O=C(O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@H]2C1)Cc1ccccc1"
"4358","ZINC000071758443","ZINC71758443","Penicilloic Acid","CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@H]1C(=O)O"
"4359","ZINC000071773499","ZINC71773499","3-Hydroxyibuprofen","C[C@H](CO)Cc1ccc([C@@H](C)C(=O)O)cc1"
"4360","ZINC000071773500","ZINC71773500","3-Hydroxyibuprofen","C[C@@H](CO)Cc1ccc([C@@H](C)C(=O)O)cc1"
"4361","ZINC000071773501","ZINC71773501","3-Hydroxyibuprofen","C[C@H](CO)Cc1ccc([C@H](C)C(=O)O)cc1"
"4362","ZINC000071773502","ZINC71773502","3-Hydroxyibuprofen","C[C@H](C(=O)O)c1ccc(C[C@@H](C)CO)cc1"
"4363","ZINC000071928291","ZINC71928291","Neomycin","NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"
"4364","ZINC000072131126","ZINC72131126","17-Desacetyl-Rocuronium","C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)CCCC1"
"4365","ZINC000072131401","ZINC72131401"," ","C[C@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"4366","ZINC000072131413","ZINC72131413","Hydroxy Ritonavir","CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)(C)O)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1"
"4367","ZINC000072190105","ZINC72190105"," ","Clc1cc(/C=C\CC2CCCCCC2)ccc1C1CCCCC1"
"4368","ZINC000072190173","ZINC72190173"," ","C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]12"
"4369","ZINC000072190174","ZINC72190174"," ","COCCOC(=O)NCCCC[C@H](NC(=O)OCCOC)C(=O)NCCCCCCCO[P@](C)(=O)O"
"4370","ZINC000072190218","ZINC72190218","Avatrombopag","O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1"
"4371","ZINC000072190231","ZINC72190231"," ","CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O"
"4372","ZINC000072206342","ZINC72206342"," ","C[C@@H]1O[C@@H](OC[C@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"
"4373","ZINC000072266812","ZINC72266812","Bornaprine","CCN(CC)CCCOC(=O)[C@@]1(c2ccccc2)C[C@@H]2CC[C@H]1C2"
"4374","ZINC000072267023","ZINC72267023","Eliglustat","CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2"
"4375","ZINC000072316335","ZINC72316335"," ","CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1"
"4376","ZINC000072318121","ZINC72318121","Abemaciclib","CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1"
"4377","ZINC000072481720","ZINC72481720","Ultravate","CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C"
"4378","ZINC000072481722","ZINC72481722"," ","CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]21C"
"4379","ZINC000072481725","ZINC72481725","Flupenthixol","OCCN1CCN(CC/C=C2\c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1"
"4380","ZINC000072693284","ZINC72693284"," ","CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@H]12"
"4381","ZINC000073069247","ZINC73069247","Baricitinib","CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1"
"4382","ZINC000077269415","ZINC77269415","Abiraterone Sulfate","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1"
"4383","ZINC000077269418","ZINC77269418","Abiraterone Sulfate","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1"
"4384","ZINC000077269419","ZINC77269419","N-Oxide Abiraterone Sulfate","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC=C2c1ccc[n+]([O-])c1"
"4385","ZINC000077269421","ZINC77269421","N-Oxide Abiraterone Sulfate","C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC=C2c1ccc[n+]([O-])c1"
"4386","ZINC000077286494","ZINC77286494"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4387","ZINC000077287124","ZINC77287124","N-Desmethyleletriptan","O=S(=O)(CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1"
"4388","ZINC000077287170","ZINC77287170","N-Desmethylalmotriptan","CNCCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12"
"4389","ZINC000077291459","ZINC77291459","O-Desmethylvenlafaxine Glucuronide","NC[C@H](c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1"
"4390","ZINC000077291461","ZINC77291461","O-Desmethylvenlafaxine Glucuronide","NC[C@@H](c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1"
"4391","ZINC000077291480","ZINC77291480","N,o-Didesmethylvenlafaxine Glucuronide","CNC[C@@H](c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1"
"4392","ZINC000077291483","ZINC77291483","N,o-Didesmethylvenlafaxine Glucuronide","CNC[C@H](c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1"
"4393","ZINC000077292462","ZINC77292462","Etodolac Acyl Glucuronide","CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OCC3"
"4394","ZINC000077292463","ZINC77292463","Etodolac Acyl Glucuronide","CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OCC3"
"4395","ZINC000077293241","ZINC77293241","Haloperidol Glucuronide","O=C(CCCN1CCC(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"4396","ZINC000077293633","ZINC77293633","2-Hydroxy-Desipramine Glucuronide","CNCCCN1c2ccccc2CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc21"
"4397","ZINC000077300530","ZINC77300530","2-Hydroxy-Imipramine Glucuronide","CN(C)CCCN1c2ccccc2CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc21"
"4398","ZINC000077300876","ZINC77300876"," ","CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"
"4399","ZINC000077301904","ZINC77301904","Losartan N2-Glucuronide","CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1"
"4400","ZINC000077312651","ZINC77312651","Propofol Glucuronide","CC(C)c1cccc(C(C)C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4401","ZINC000077312930","ZINC77312930","Roflumilast N-Oxide","O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1"
"4402","ZINC000077313075","ZINC77313075","Sorafenib Beta-D-Glucuronide","CNC(=O)c1cc(Oc2ccc(NC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)ccn1"
"4403","ZINC000077319516","ZINC77319516","Ticlopidine N-Oxide","[O-][N+]1(Cc2ccccc2Cl)CCc2sccc2C1"
"4404","ZINC000077319562","ZINC77319562","Trandolapril-D5 Diketopiperazine","CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C"
"4405","ZINC000077320103","ZINC77320103","Zileuton O-Glucuronide","C[C@@H](c1cc2ccccc2s1)N(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=N)O"
"4406","ZINC000077320107","ZINC77320107","Zileuton O-Glucuronide","C[C@H](c1cc2ccccc2s1)N(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=N)O"
"4407","ZINC000077874208","ZINC77874208","Thioxanthine Monophosphate","O=P(O)(O)On1cnc2c(=S)[nH]c(O)nc21"
"4408","ZINC000079216653","ZINC79216653"," ","C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3"
"4409","ZINC000081139092","ZINC81139092","Flupenthixol","OCCN1CCN(CC/C=C2\c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1"
"4410","ZINC000082004496","ZINC82004496","2-Beta-Hydroxymedroxyprogesterone","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C"
"4411","ZINC000082105373","ZINC82105373","Cefapirin Sodium","O=C(CSc1ccncc1)N[C@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12"
"4412","ZINC000082105374","ZINC82105374","Cefapirin Sodium","O=C(CSc1ccncc1)N[C@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]12"
"4413","ZINC000082105375","ZINC82105375","Cefapirin Sodium","O=C(CSc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]12"
"4414","ZINC000082314384","ZINC82314384","6-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O"
"4415","ZINC000082872187","ZINC82872187","3-(3-Hydroxyphenyl)-2-Methylpropionic Acid","C[C@@H](Cc1cccc(O)c1)C(=O)O"
"4416","ZINC000082872188","ZINC82872188","3-(3-Hydroxyphenyl)-2-Methylpropionic Acid","C[C@H](Cc1cccc(O)c1)C(=O)O"
"4417","ZINC000083291604","ZINC83291604","Etozoline","CCOC(=O)/C=C1/S[C@@H](N2CCCCC2)C(=O)N1C"
"4418","ZINC000083294652","ZINC83294652","2-Hydroxyethinylestradiol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@H]3CC[C@]21C"
"4419","ZINC000083294653","ZINC83294653","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]21C"
"4420","ZINC000084316941","ZINC84316941","2,6-Pipecoloxylidide","Cc1cccc(C)c1/N=C(/O)[C@@H]1CCCCN1"
"4421","ZINC000084386263","ZINC84386263","Indomethacin Glucuronide","COc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1"
"4422","ZINC000084397769","ZINC84397769","Otan","O=C(CO)CO"
"4423","ZINC000084400879","ZINC84400879","Nicardipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1"
"4424","ZINC000084402690","ZINC84402690","Meclocycline","C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"4425","ZINC000084403367","ZINC84403367","Nitrendipin","CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1"
"4426","ZINC000084441937","ZINC84441937","Tetracycline","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12"
"4427","ZINC000084462581","ZINC84462581","Oxipurinol","O=c1[nH]c(O)nc2n[nH]cc12"
"4428","ZINC000084589076","ZINC84589076","Rax","CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O"
"4429","ZINC000084668739","ZINC84668739","Lifitegrast","CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1"
"4430","ZINC000084757007","ZINC84757007","Lesinurad","O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12"
"4431","ZINC000084758235","ZINC84758235","Telotristat","Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1"
"4432","ZINC000084758479","ZINC84758479","Brexpiprazole","O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1"
"4433","ZINC000084843283","ZINC84843283","Lorzone","O=c1[nH]c2cc(Cl)ccc2o1"
"4434","ZINC000085205448","ZINC85205448"," ","COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]"
"4435","ZINC000085205451","ZINC85205451"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C"
"4436","ZINC000085427689","ZINC85427689","Coq10","COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O"
"4437","ZINC000085432544","ZINC85432544","Vinblastine","CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"
"4438","ZINC000085432549","ZINC85432549","Vincristine","CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"
"4439","ZINC000085479227","ZINC85479227"," ","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"4440","ZINC000085534098","ZINC85534098","Clarithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"4441","ZINC000085534336","ZINC85534336","Erythromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"4442","ZINC000085536932","ZINC85536932","Cabazitaxel","CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C"
"4443","ZINC000085536956","ZINC85536956"," ","CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2"
"4444","ZINC000085536958","ZINC85536958","Vinorelbine","CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2"
"4445","ZINC000085536990","ZINC85536990","Pimecrolimus","CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"
"4446","ZINC000085537011","ZINC85537011","Spinosyn D","CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1"
"4447","ZINC000085537014","ZINC85537014","Cobicistat","CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1"
"4448","ZINC000085537017","ZINC85537017","Cangrelor","CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O"
"4449","ZINC000085537026","ZINC85537026","Azithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"4450","ZINC000085537042","ZINC85537042","Acarbose","C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O"
"4451","ZINC000085537053","ZINC85537053","Docetaxel","CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C"
"4452","ZINC000085537068","ZINC85537068","Pralmorelin","C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O"
"4453","ZINC000085537078","ZINC85537078","Vinflunine","CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32"
"4454","ZINC000085537089","ZINC85537089","Proglumetacin","CCCN(CCC)C(=O)[C@@H](CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1"
"4455","ZINC000085537091","ZINC85537091","Proglumetacin","CCCN(CCC)C(=O)[C@H](CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1"
"4456","ZINC000085537142","ZINC85537142","Aclarubicin","CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC"
"4457","ZINC000085540202","ZINC85540202","Asunaprevir","C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1"
"4458","ZINC000085540215","ZINC85540215","Ioxilan","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"4459","ZINC000085540219","ZINC85540219","Ioxilan","CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"4460","ZINC000085540223","ZINC85540223","Ioxilan","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"4461","ZINC000085540244","ZINC85540244","Metrizamide","CC(=O)Nc1c(I)c(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I"
"4462","ZINC000085540254","ZINC85540254","Salinomycin","CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"
"4463","ZINC000085551979","ZINC85551979"," ","OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"4464","ZINC000085552114","ZINC85552114"," ","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"
"4465","ZINC000085552177","ZINC85552177"," ","CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@@H](C)[C@@H](O)[C@]1(C)O"
"4466","ZINC000085552271","ZINC85552271"," ","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1C[C@H]3O"
"4467","ZINC000085552312","ZINC85552312","T3s","N[C@@H](Cc1cc(I)c(Oc2ccc(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O"
"4468","ZINC000085552393","ZINC85552393","Alora","C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O"
"4469","ZINC000085552410","ZINC85552410"," ","CO[C@@H]1C(=O)CC[C@]2(CO2)[C@]1(O)[C@@]1(C)O[C@H]1CC=C(C)C"
"4470","ZINC000085552699","ZINC85552699","Thr","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"
"4471","ZINC000085555528","ZINC85555528"," ","CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"
"4472","ZINC000085574641","ZINC85574641","Coq10h2","COc1c(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1OC"
"4473","ZINC000085589009","ZINC85589009","2hen-3s","C[C@]12CC[C@@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O"
"4474","ZINC000085589012","ZINC85589012","2hen-3s","C[C@]12CC[C@H]3c4cc(O)c(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O"
"4475","ZINC000085589133","ZINC85589133","4hen-3s","C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O"
"4476","ZINC000085589135","ZINC85589135","4hen-3s","C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O"
"4477","ZINC000085589139","ZINC85589139","4hen-3s","C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@@H]1CCC2=O"
"4478","ZINC000085589142","ZINC85589142","4hen-3s","C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)O)c(O)c4CC[C@H]3[C@@H]1CCC2=O"
"4479","ZINC000085599303","ZINC85599303"," ","C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](O)[C@H](O)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC"
"4480","ZINC000085650610","ZINC85650610","Methacycline","C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"4481","ZINC000085914855","ZINC85914855"," ","CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](/N=C(/O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C"
"4482","ZINC000086040406","ZINC86040406","Hexamine","C1N2CN3CN1CN(C2)C3"
"4483","ZINC000087496092","ZINC87496092"," ","C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O"
"4484","ZINC000087496183","ZINC87496183","Erythromycin Estolate","CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C"
"4485","ZINC000087496429","ZINC87496429"," ","CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2"
"4486","ZINC000087515509","ZINC87515509","Dexrazoxane","C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1"
"4487","ZINC000089224316","ZINC89224316"," ","C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"4488","ZINC000090614937","ZINC90614937"," ","C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@H]1CC[C@@H]2O"
"4489","ZINC000090647712","ZINC90647712"," ","C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O"
"4490","ZINC000090693835","ZINC90693835"," ","Cc1cc(N([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)no1"
"4491","ZINC000090711812","ZINC90711812"," ","C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CC[C@H]2O"
"4492","ZINC000090716806","ZINC90716806"," ","C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO"
"4493","ZINC000091689892","ZINC91689892","Physostigmine","CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C"
"4494","ZINC000094303244","ZINC94303244"," ","CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](O)[C@]5(CC)C=CCN6CC[C@@]43[C@@H]65)C2)C1"
"4495","ZINC000094303245","ZINC94303245"," ","CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1"
"4496","ZINC000094437910","ZINC94437910"," ","CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCC"
"4497","ZINC000094566092","ZINC94566092","Doxazosin","COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC"
"4498","ZINC000094566093","ZINC94566093","Doxazosin","COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC"
"4499","ZINC000095452610","ZINC95452610","Chloroguanide","CC(C)NC(=N)N/C(N)=N\c1ccc(Cl)cc1"
"4500","ZINC000095483532","ZINC95483532","Phenazopyridine","Nc1ccc(/N=N/c2ccccc2)c(N)n1"
"4501","ZINC000095493347","ZINC95493347","Efonidipine","CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1"
"4502","ZINC000095537874","ZINC95537874"," ","O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12"
"4503","ZINC000095551509","ZINC95551509","Grazoprevir","C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1"
"4504","ZINC000095564694","ZINC95564694","Naloxegol","C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5"
"4505","ZINC000095564895","ZINC95564895","Aripiprazole Lauroxil","CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21"
"4506","ZINC000095570759","ZINC95570759"," ","Oc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@@H](C2)NCC[C@]314"
"4507","ZINC000095588079","ZINC95588079","Phenobarbital","CCC1(c2ccccc2)C(=O)NC(=O)NC1=O"
"4508","ZINC000095598449","ZINC95598449","Latanoprostene Bunod","O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-]"
"4509","ZINC000095604030","ZINC95604030"," ","Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2"
"4510","ZINC000095615286","ZINC95615286","Senktide","CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O)C(N)=O"
"4511","ZINC000095616599","ZINC95616599","Terazosin","COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC"
"4512","ZINC000095616600","ZINC95616600","Terazosin","COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC"
"4513","ZINC000095616601","ZINC95616601","Prazosin","COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC"
"4514","ZINC000095616603","ZINC95616603","Topamax","CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1"
"4515","ZINC000095616937","ZINC95616937","Dasabuvir","COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C"
"4516","ZINC000095617622","ZINC95617622"," ","C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4517","ZINC000095617623","ZINC95617623"," ","C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4518","ZINC000095617624","ZINC95617624"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4519","ZINC000095617625","ZINC95617625"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4520","ZINC000095617626","ZINC95617626"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4521","ZINC000095617627","ZINC95617627"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)O"
"4522","ZINC000095617628","ZINC95617628"," ","C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)O"
"4523","ZINC000095617635","ZINC95617635","Candesartan N2-Glucuronide","CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"
"4524","ZINC000095617636","ZINC95617636","Candesartan N2-Glucuronide","CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1"
"4525","ZINC000095617637","ZINC95617637","Afn911","CN1CCN(Cc2ccc(C(=O)NC3=C[C@H](Nc4nccc(-c5cccnc5)n4)[C@H](CO)C=C3)cc2)CC1"
"4526","ZINC000095617638","ZINC95617638","Afn911","CN1CCN(Cc2ccc(C(=O)NC3=C[C@@H](Nc4nccc(-c5cccnc5)n4)[C@H](CO)C=C3)cc2)CC1"
"4527","ZINC000095617639","ZINC95617639","Afn911","CN1CCN(Cc2ccc(C(=O)NC3=C[C@H](Nc4nccc(-c5cccnc5)n4)[C@@H](CO)C=C3)cc2)CC1"
"4528","ZINC000095617640","ZINC95617640","Afn911","CN1CCN(Cc2ccc(C(=O)NC3=C[C@@H](Nc4nccc(-c5cccnc5)n4)[C@@H](CO)C=C3)cc2)CC1"
"4529","ZINC000095617641","ZINC95617641","Cgp72383","Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(C2=CN(O)CC=C2)n1"
"4530","ZINC000095617642","ZINC95617642","Thalidomide Arene Oxide","O=C1CC[C@@H](N2C(=O)C3=C[C@@H]4O[C@@H]4C=C3C2=O)C(=O)N1"
"4531","ZINC000095617643","ZINC95617643","Thalidomide Arene Oxide","O=C1CC[C@H](N2C(=O)C3=C[C@@H]4O[C@@H]4C=C3C2=O)C(=O)N1"
"4532","ZINC000095617644","ZINC95617644","3',4'-Dihydrodiol","O=C1NC(=O)[C@](C2=C[C@@H](O)[C@@H](O)C=C2)(c2ccccc2)N1"
"4533","ZINC000095617645","ZINC95617645","8-Hydroxynevirapine","Cc1ccnc2c1NC(=O)c1cc(O)cnc1N2C1CC1"
"4534","ZINC000095617646","ZINC95617646","2-Chloroticlopidine","Clc1cc2c(s1)CCN(Cc1ccccc1Cl)C2"
"4535","ZINC000095617647","ZINC95617647","Ticlopidine S-Oxide","O=S1C=CC2=C1CCN(Cc1ccccc1Cl)C2"
"4536","ZINC000095617648","ZINC95617648","Dehydrogenated Ticlopidine","Clc1ccccc1CN1C=Cc2sccc2C1"
"4537","ZINC000095617649","ZINC95617649","8-Hydroxycarvedilol","COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3c(O)cccc3c12"
"4538","ZINC000095617650","ZINC95617650","8-Hydroxycarvedilol","COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3c(O)cccc3c12"
"4539","ZINC000095617651","ZINC95617651"," ","COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1O"
"4540","ZINC000095617652","ZINC95617652"," ","COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1O"
"4541","ZINC000095617653","ZINC95617653","Hydroxyzileuton","C[C@@H](c1cc2ccc(O)cc2s1)N(O)C(N)=O"
"4542","ZINC000095617654","ZINC95617654","Hydroxyzileuton","C[C@H](c1cc2ccc(O)cc2s1)N(O)C(N)=O"
"4543","ZINC000095617655","ZINC95617655","3-Hydroxyomeprazole","COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1"
"4544","ZINC000095617656","ZINC95617656","3-Hydroxyomeprazole","COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1"
"4545","ZINC000095617657","ZINC95617657","5-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)CC[C@H](O)CC1=O"
"4546","ZINC000095617658","ZINC95617658","5-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)CC[C@H](O)CC1=O"
"4547","ZINC000095617659","ZINC95617659","5-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)CC[C@@H](O)CC1=O"
"4548","ZINC000095617660","ZINC95617660","5-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)CC[C@@H](O)CC1=O"
"4549","ZINC000095617661","ZINC95617661","4-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)C[C@H](O)CCC1=O"
"4550","ZINC000095617662","ZINC95617662","4-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)C[C@H](O)CCC1=O"
"4551","ZINC000095617663","ZINC95617663","4-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)C[C@@H](O)CCC1=O"
"4552","ZINC000095617664","ZINC95617664","4-Hydroxyketamine","CN[C@@]1(c2ccccc2Cl)C[C@@H](O)CCC1=O"
"4553","ZINC000095617665","ZINC95617665","2-Hydroxychlorpropamide","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1O"
"4554","ZINC000095617666","ZINC95617666","3-Hydroxychlorpropamide","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)c(O)c1"
"4555","ZINC000095617667","ZINC95617667","7-Hydroxygliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC(O)C[C@H]3C2)cc1"
"4556","ZINC000095617668","ZINC95617668","7-Hydroxygliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC(O)C[C@@H]3C2)cc1"
"4557","ZINC000095617669","ZINC95617669","7-Hydroxygliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@@H]3CC(O)C[C@H]3C2)cc1"
"4558","ZINC000095617670","ZINC95617670"," ","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1"
"4559","ZINC000095617672","ZINC95617672","6-Hydroxyfluvastatin","CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccc(O)cc21"
"4560","ZINC000095617673","ZINC95617673","N-Deisopropyl-Fluvastatin","O=C(O)C[C@@H](O)C[C@@H](O)/C=C/c1[nH]c2ccccc2c1-c1ccc(F)cc1"
"4561","ZINC000095617674","ZINC95617674","5-Hydroxyfluvastatin","CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2cc(O)ccc21"
"4562","ZINC000095617677","ZINC95617677"," ","CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"
"4563","ZINC000095617678","ZINC95617678"," ","CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"
"4564","ZINC000095617679","ZINC95617679"," ","CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@@]12C"
"4565","ZINC000095618351","ZINC95618351","C.i. 42095","CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1"
"4566","ZINC000095618449","ZINC95618449","E435","CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO"
"4567","ZINC000095618557","ZINC95618557","Alpha-Fluoro-Beta-Ureidopropionic Acid","N=C(O)NC[C@H](F)C(=O)O"
"4568","ZINC000095618558","ZINC95618558","Alpha-Fluoro-Beta-Ureidopropionic Acid","N=C(O)NC[C@@H](F)C(=O)O"
"4569","ZINC000095618559","ZINC95618559","6-Hydroxyketamine","CN[C@]1(c2ccccc2Cl)CCC[C@H](O)C1=O"
"4570","ZINC000095618571","ZINC95618571","Aminofurantoin","Nc1ccc(/C=N\N2CC(=O)NC2=O)o1"
"4571","ZINC000095618574","ZINC95618574","Ketotifen-N-Glucuronide","C[N+]1([C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"
"4572","ZINC000095618575","ZINC95618575","Ketotifen-N-Glucuronide","C[N+]1([C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"
"4573","ZINC000095618587","ZINC95618587","(e)-2-Hydroxydoxepin Glucuronide","CN(C)CC/C=C1\c2ccccc2COc2ccc(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"4574","ZINC000095618588","ZINC95618588","(e)-2-Hydroxydoxepin Glucuronide","CN(C)CC/C=C1\c2ccccc2COc2ccc(O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"4575","ZINC000095618589","ZINC95618589","(e)-2-Hydroxydoxepin","CN(C)CC/C=C1/c2ccccc2COc2ccc(O)cc21"
"4576","ZINC000095618590","ZINC95618590","N-Acetyl Gemifloxacin","CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1NC(C)=O"
"4577","ZINC000095618591","ZINC95618591","N-Acetyl Gemifloxacin","CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1NC(C)=O"
"4578","ZINC000095618592","ZINC95618592","Mycophenolic Acid Glucuronide","COc1c(C)c2c(c(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)c1C/C=C(/C)CCC(=O)O)C(=O)OC2"
"4579","ZINC000095618593","ZINC95618593","Mycophenolic Acid Glucuronide","COc1c(C)c2c(c(O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)c1C/C=C(/C)CCC(=O)O)C(=O)OC2"
"4580","ZINC000095618598","ZINC95618598","Lamivudine-Monophosphate","Nc1ccn([C@H]2CS[C@H](COP(=O)(O)O)O2)c(=O)n1"
"4581","ZINC000095618599","ZINC95618599","Lamivudine-Monophosphate","Nc1ccn([C@@H]2CS[C@@H](COP(=O)(O)O)O2)c(=O)n1"
"4582","ZINC000095618600","ZINC95618600"," ","O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4583","ZINC000095618601","ZINC95618601","(e)-2-Hydroxy-N-Desmethyldoxepin","CNCC/C=C1\c2ccccc2COc2ccc(O)cc21"
"4584","ZINC000095618602","ZINC95618602","1-Hydroxylorcaserin","C[C@]1(O)CNCCc2ccc(Cl)cc21"
"4585","ZINC000095618603","ZINC95618603","1-Hydroxylorcaserin","C[C@@]1(O)CNCCc2ccc(Cl)cc21"
"4586","ZINC000095618604","ZINC95618604","12-Hydroxynevirapine Glucuronide","Cc1ccnc2c1N=C(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2[C@@H]1C[C@@H]1O"
"4587","ZINC000095618605","ZINC95618605","12-Hydroxynevirapine Glucuronide","Cc1ccnc2c1N=C(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2[C@H]1C[C@@H]1O"
"4588","ZINC000095618608","ZINC95618608"," ","C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2O"
"4589","ZINC000095618609","ZINC95618609","2-Chloro-2'-Deoxyadenosine-5'-Triphosphate","Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O1"
"4590","ZINC000095618614","ZINC95618614","2-Hydroxynevirapine Glucuronide","Cc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)nc2c1N=C(O)c1cccnc1N2C1CC1"
"4591","ZINC000095618615","ZINC95618615","2,6-Pipecoloxylidide","Cc1cccc(C)c1/N=C(\O)[C@H]1CCCCN1"
"4592","ZINC000095618618","ZINC95618618"," ","C=C1C=C2C=C[C@H]3[C@@H](CC[C@]4(C)[C@H](C(C)C)CC[C@H]34)[C@]2(C)CC1"
"4593","ZINC000095618620","ZINC95618620"," ","C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H]([C@@H]3COC(=O)C3)CC[C@]12O"
"4594","ZINC000095618621","ZINC95618621","3-(3-Hydroxyphenyl)-2-Methyllactic Acid","C[C@@](O)(Cc1cccc(O)c1)C(=O)O"
"4595","ZINC000095618622","ZINC95618622","3-(3-Hydroxyphenyl)-2-Methyllactic Acid","C[C@](O)(Cc1cccc(O)c1)C(=O)O"
"4596","ZINC000095618623","ZINC95618623"," ","COc1cc(C[C@H](C)C(=O)O)ccc1O"
"4597","ZINC000095618624","ZINC95618624"," ","COc1cc(C[C@@H](C)C(=O)O)ccc1O"
"4598","ZINC000095618625","ZINC95618625","3-Hydroxymelatonin","COc1ccc2c(c1)[C@](O)(CC/N=C(/C)O)CN2"
"4599","ZINC000095618626","ZINC95618626","3-Hydroxymelatonin","COc1ccc2c(c1)[C@@](O)(CC/N=C(/C)O)CN2"
"4600","ZINC000095618627","ZINC95618627","3-Hydroxynevirapine Glucuronide","Cc1c(O)cnc2c1N=C(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2C1CC1"
"4601","ZINC000095618628","ZINC95618628","3-Hydroxynevirapine Glucuronide","Cc1c(O)cnc2c1N=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2C1CC1"
"4602","ZINC000095618630","ZINC95618630"," ","Cc1cn([C@@H]2C[C@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O"
"4603","ZINC000095618634","ZINC95618634"," ","Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O"
"4604","ZINC000095618636","ZINC95618636"," ","Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O"
"4605","ZINC000095618639","ZINC95618639","4'-Hydroxy-5-Carboxy-Lumiracoxib","Cc1ccc(Nc2c(Cl)cc(O)c(C(=O)O)c2F)c(CC(=O)O)c1"
"4606","ZINC000095618641","ZINC95618641","4'-Hydroxyfenoprofen Glucuronide","C[C@H](C(=O)O)c1cccc(Oc2ccc(O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)cc2)c1"
"4607","ZINC000095618642","ZINC95618642","4'-Hydroxyfenoprofen Glucuronide","C[C@@H](C(=O)O)c1cccc(Oc2ccc(O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)cc2)c1"
"4608","ZINC000095618643","ZINC95618643","4'-Hydroxyfenoprofen Glucuronide","C[C@H](C(=O)O)c1cccc(Oc2ccc(O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]3O)cc2)c1"
"4609","ZINC000095618644","ZINC95618644","4'-Hydroxyfenoprofen Glucuronide","C[C@@H](C(=O)O)c1cccc(Oc2ccc(O[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]3O)cc2)c1"
"4610","ZINC000095618645","ZINC95618645","4'-Hydroxyphenyl Carvedilol","COc1cc(-c2ccc(O)cc2)ccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12"
"4611","ZINC000095618646","ZINC95618646","4'-Hydroxyphenyl Carvedilol","COc1cc(-c2ccc(O)cc2)ccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12"
"4612","ZINC000095618647","ZINC95618647","5-Carboxy-Lumiracoxib","Cc1ccc(Nc2c(Cl)ccc(C(=O)O)c2F)c(CC(=O)O)c1"
"4613","ZINC000095618648","ZINC95618648","5-Hydroxyemedastine","CCOCCn1c(N2CCCN(C)CC2)nc2cc(O)ccc21"
"4614","ZINC000095618649","ZINC95618649","5-Hydroxylorcaserin","C[C@H]1CNC[C@H](O)c2ccc(Cl)cc21"
"4615","ZINC000095618650","ZINC95618650","5-Hydroxylorcaserin","C[C@H]1CNC[C@@H](O)c2ccc(Cl)cc21"
"4616","ZINC000095618655","ZINC95618655","6-Beta-Hydroxy-Mometasone Furoate","C[C@@H]1C[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl"
"4617","ZINC000095618656","ZINC95618656","6-Beta-Hydroxy-Mometasone Furoate","C[C@@H]1C[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl"
"4618","ZINC000095618657","ZINC95618657","6-Hydroxyemedastine","CCOCCn1c(N2CCCN(C)CC2)nc2ccc(O)cc21"
"4619","ZINC000095618660","ZINC95618660","6-Hydroxymelatonin Glucuronide","COc1cc2c(CCNC(C)=O)c[nH]c2cc1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"4620","ZINC000095618661","ZINC95618661","6-Hydroxymelatonin Glucuronide","COc1cc2c(CCNC(C)=O)c[nH]c2cc1O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"4621","ZINC000095618662","ZINC95618662"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1cccc2ccccc12)C[C@@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"4622","ZINC000095618666","ZINC95618666","6-Thioxanthylic Acid","O=P(O)(O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@@H]1O"
"4623","ZINC000095618667","ZINC95618667","6-Thioxanthylic Acid","O=P(O)(O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@@H](O)[C@@H]1O"
"4624","ZINC000095618668","ZINC95618668"," ","O=P(O)(O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@H]1O"
"4625","ZINC000095618669","ZINC95618669"," ","O=P(O)(O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@@H](O)[C@H]1O"
"4626","ZINC000095618670","ZINC95618670","7-Hydroxylorcaserin","C[C@H]1CNCCc2cc(O)c(Cl)cc21"
"4627","ZINC000095618671","ZINC95618671","8-Hydroxythioguanine","Nc1nc(S)c2nc(O)[nH]c2n1"
"4628","ZINC000095618672","ZINC95618672","Alpha-Hydroxy-Tamoxifen-O-Glucuronide","CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1"
"4629","ZINC000095618673","ZINC95618673"," ","CC#CCn1c(N2CCC[C@H](O)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"
"4630","ZINC000095618674","ZINC95618674"," ","CC#CCn1c(N2CCC[C@@H](O)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C"
"4631","ZINC000095618675","ZINC95618675","Cyclic 6-Hydroxymelatonin","COc1cc2c3c([nH]c2cc1O)N(C(C)=O)CC3"
"4632","ZINC000095618676","ZINC95618676","Cyclic Melatonin","COc1ccc2[nH]c3c(c2c1)CCN3C(C)=O"
"4633","ZINC000095618679","ZINC95618679","Cyclic N-Acetylserotonin Glucuronide","CC(=O)N1CCc2c1[nH]c1ccc(O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"4634","ZINC000095618680","ZINC95618680","Cyclic N-Acetylserotonin Glucuronide","CC(=O)N1CCc2c1[nH]c1ccc(O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"4635","ZINC000095618681","ZINC95618681"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4636","ZINC000095618682","ZINC95618682"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4637","ZINC000095618683","ZINC95618683"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4638","ZINC000095618689","ZINC95618689"," ","C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@H]3C2)C[C@H](O)[C@@H]1O"
"4639","ZINC000095618690","ZINC95618690"," ","C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O"
"4640","ZINC000095618691","ZINC95618691"," ","C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@H]4[C@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O"
"4641","ZINC000095618704","ZINC95618704","Lacosamide-Glucuronide","COC[C@@H](NC(=O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCc1ccccc1"
"4642","ZINC000095618705","ZINC95618705","Lacosamide-Glucuronide","COC[C@@H](NC(=O)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCc1ccccc1"
"4643","ZINC000095618708","ZINC95618708","Melatonin Glucuronide","COc1ccc2c(c1)c(CCNC(C)=O)cn2[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"4644","ZINC000095618709","ZINC95618709","Melatonin Glucuronide","COc1ccc2c(c1)c(CCNC(C)=O)cn2[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"4645","ZINC000095618710","ZINC95618710","N-Desmethyl-O-Hydroxy Rosiglitazone","O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ncccc3O)cc2)S1"
"4646","ZINC000095618711","ZINC95618711","N-Desmethyl-O-Hydroxy Rosiglitazone","O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ncccc3O)cc2)S1"
"4647","ZINC000095618712","ZINC95618712","N-Desmethyl-O-O-Sulfate Rosiglitazone","O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ncccc3OS(=O)(=O)O)cc2)S1"
"4648","ZINC000095618713","ZINC95618713","N-Desmethyl-O-O-Sulfate Rosiglitazone","O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ncccc3OS(=O)(=O)O)cc2)S1"
"4649","ZINC000095618714","ZINC95618714","N-Desmethyl-P-Hydroxyrosiglitazone","O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ccc(O)cn3)cc2)S1"
"4650","ZINC000095618715","ZINC95618715","N-Desmethyl-P-Hydroxyrosiglitazone","O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ccc(O)cn3)cc2)S1"
"4651","ZINC000095618716","ZINC95618716","N-Desmethyl-P-O-Sulfate Rosiglitazone","O=C1NC(=O)[C@@H](Cc2ccc(OCCNc3ccc(OS(=O)(=O)O)cn3)cc2)S1"
"4652","ZINC000095618717","ZINC95618717","N-Desmethyl-P-O-Sulfate Rosiglitazone","O=C1NC(=O)[C@H](Cc2ccc(OCCNc3ccc(OS(=O)(=O)O)cn3)cc2)S1"
"4653","ZINC000095618718","ZINC95618718","N-Hydroxylorcaserin","C[C@H]1CN(O)CCc2ccc(Cl)cc21"
"4654","ZINC000095618719","ZINC95618719"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4655","ZINC000095618727","ZINC95618727","N,n-Didesmethyltramadol","COc1cccc([C@@]2(C)CCCC[C@@H]2CN)c1"
"4656","ZINC000095618728","ZINC95618728","N1-(2-Hydroxyethyl)flurazepam","COCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21"
"4657","ZINC000095618731","ZINC95618731","O-O-Sulfate Rosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncccc1OS(=O)(=O)O"
"4658","ZINC000095618732","ZINC95618732","O-O-Sulfate Rosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncccc1OS(=O)(=O)O"
"4659","ZINC000095618733","ZINC95618733","Perindoprilat Glucuronide","CC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@]2(C(=O)O)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)O"
"4660","ZINC000095618734","ZINC95618734","Perindoprilat Glucuronide","CC[C@@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@]2(C(=O)O)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)O"
"4661","ZINC000095618735","ZINC95618735","Perindoprilat Glucuronide","CC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O[C@]2(C(=O)O)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)O"
"4662","ZINC000095618736","ZINC95618736","Perindoprilat Glucuronide","CC[C@@H](N[C@H](C)C(=O)N1[C@H](C(=O)O[C@]2(C(=O)O)O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)O"
"4663","ZINC000095618738","ZINC95618738"," ","O=C1NC(=O)[C@](C2=C[C@H]3O[C@H]3C=C2)(c2ccccc2)N1"
"4664","ZINC000095618739","ZINC95618739","Phenytoin Methylcatechol","O=Cc1cc([C@]2(c3ccccc3)NC(=O)NC2=O)ccc1O"
"4665","ZINC000095618740","ZINC95618740","Phenytoin Methylcatechol","O=Cc1cc([C@@]2(c3ccccc3)NC(=O)NC2=O)ccc1O"
"4666","ZINC000095618741","ZINC95618741","Phenytoin Quinone","O=C1NC(=O)[C@@](C2=CC(=O)C(=O)C=C2)(c2ccccc2)N1"
"4667","ZINC000095618742","ZINC95618742","Phenytoin Quinone","O=C1NC(=O)[C@](C2=CC(=O)C(=O)C=C2)(c2ccccc2)N1"
"4668","ZINC000095618743","ZINC95618743"," ","CO[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C"
"4669","ZINC000095618744","ZINC95618744"," ","CO[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C"
"4670","ZINC000095618745","ZINC95618745"," ","CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C"
"4671","ZINC000095618746","ZINC95618746"," ","CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C"
"4672","ZINC000095618747","ZINC95618747","Thioguanosine 5'-Triphosphate","Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1"
"4673","ZINC000095618748","ZINC95618748","Candesartan O-Glucuronide","CCOc1nc2cccc(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"4674","ZINC000095618749","ZINC95618749","Candesartan O-Glucuronide","CCOc1nc2cccc(C(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1"
"4675","ZINC000095618750","ZINC95618750","8-Hydroxy-R-Acenocoumarol","CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2cccc(O)c2oc1=O"
"4676","ZINC000095618751","ZINC95618751","8-Hydroxy-R-Phenprocoumon","CC[C@H](c1ccccc1)c1c(O)c2cccc(O)c2oc1=O"
"4677","ZINC000095618752","ZINC95618752","4-Hydroxyvoriconazole","C[C@@H](c1ncncc1F)[C@@](O)(c1ccc(F)cc1F)[C@H](O)n1cncn1"
"4678","ZINC000095618753","ZINC95618753","4-Hydroxyvoriconazole","C[C@@H](c1ncncc1F)[C@@](O)(c1ccc(F)cc1F)[C@@H](O)n1cncn1"
"4679","ZINC000095618754","ZINC95618754","Diphenhydramine N-Glucuronide","C[N+](C)(CCOC(c1ccccc1)c1ccccc1)[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4680","ZINC000095618755","ZINC95618755","Clozapine Glucuronide","CN1CCN(C2=Nc3cc(Cl)ccc3N([C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc32)CC1"
"4681","ZINC000095618756","ZINC95618756","Haloperidol Glucuronide","O=C(CCCN1CCC(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1"
"4682","ZINC000095618757","ZINC95618757","7-Beta-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@@H](O)CC(C)=C[C@H]21"
"4683","ZINC000095618758","ZINC95618758","7-Beta-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1[C@@H](O)CC(C)=C[C@H]21"
"4684","ZINC000095618759","ZINC95618759","7-Beta-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@@H](O)CC(C)=C[C@@H]21"
"4685","ZINC000095618760","ZINC95618760","7-Beta-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1[C@@H](O)CC(C)=C[C@@H]21"
"4686","ZINC000095618761","ZINC95618761","7-Alpha-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1[C@@H]2C=C(C)C[C@H]1O"
"4687","ZINC000095618762","ZINC95618762","7-Alpha-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@@H]2C=C(C)C[C@H]1O"
"4688","ZINC000095618763","ZINC95618763","7-Alpha-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@H](O)CC(C)=C[C@@H]21"
"4689","ZINC000095618764","ZINC95618764","7-Alpha-Hydroxy-Delta-9-Thc","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1[C@H](O)CC(C)=C[C@@H]21"
"4690","ZINC000095618765","ZINC95618765","Etodolac Acyl Glucuronide","CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OCC3"
"4691","ZINC000095618766","ZINC95618766","Etodolac Acyl Glucuronide","CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OCC3"
"4692","ZINC000095618767","ZINC95618767","Flurbiprofen Glucuronide","C[C@H](C(=O)O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(-c2ccccc2)c(F)c1"
"4693","ZINC000095618768","ZINC95618768","Flurbiprofen Glucuronide","C[C@@H](C(=O)O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(-c2ccccc2)c(F)c1"
"4694","ZINC000095618769","ZINC95618769","Naproxen O-Glucuronide","COc1ccc2cc([C@H](C)C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1"
"4695","ZINC000095618770","ZINC95618770","Suprofen S-Oxide","C[C@H](C(=O)O)c1ccc(C(=O)C2=CC=CS2=O)cc1"
"4696","ZINC000095618771","ZINC95618771","Suprofen S-Oxide","C[C@@H](C(=O)O)c1ccc(C(=O)C2=CC=CS2=O)cc1"
"4697","ZINC000095618772","ZINC95618772"," ","C[C@H](C(=O)O)c1ccc(C(=O)C2=C[C@H]3O[C@H]3S2)cc1"
"4698","ZINC000095618774","ZINC95618774","Hydroxylumiracoxib","Cc1ccc(Nc2c(F)cc(O)cc2Cl)c(CC(=O)O)c1"
"4699","ZINC000095618775","ZINC95618775"," ","CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5"
"4700","ZINC000095618776","ZINC95618776","Hydromorphone 3-Beta-O-Glucuronide","CN1CC[C@@]23c4c5ccc(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5"
"4701","ZINC000095618777","ZINC95618777","3-Cis-Hydroxyglipizide","Cc1cnc(/C(O)=N/CCc2ccc(S(=O)(=O)/N=C(/O)N[C@H]3CCC[C@@H](O)C3)cc2)cn1"
"4702","ZINC000095618779","ZINC95618779","7-Hydroxyolanzapine","Cc1cc2c(s1)Nc1ccc(O)cc1N=C2N1CCN(C)CC1"
"4703","ZINC000095618783","ZINC95618783"," ","CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C"
"4704","ZINC000095618785","ZINC95618785"," ","CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C"
"4705","ZINC000095618786","ZINC95618786","Zafirlukast Metabolite M5","COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(CO)c2ccc(NC(=O)OC3CCCC3)cc12"
"4706","ZINC000095618789","ZINC95618789"," ","CO[C@@]12C[C@@H](CO)CN(C)[C@H]1Cc1c[nH]c3cccc2c13"
"4707","ZINC000095618791","ZINC95618791","Repaglinide Aromatic Amine","CCOc1cc(C/C(O)=N\[C@H](CC(C)C)c2ccccc2N)ccc1C(=O)O"
"4708","ZINC000095618792","ZINC95618792","<i>para</i>-Hydroxyatorvastatin","CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)O"
"4709","ZINC000095618793","ZINC95618793","<i>para</i>-Hydroxyatorvastatin","CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)O"
"4710","ZINC000095618794","ZINC95618794","<i>ortho</i>-Hydroxyatorvastatin","CC(C)c1c(/C(O)=N/c2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O"
"4711","ZINC000095618795","ZINC95618795","<i>ortho</i>-Hydroxyatorvastatin","CC(C)c1c(/C(O)=N/c2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)O"
"4712","ZINC000095618798","ZINC95618798"," ","C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@@H](O)[C@H]12"
"4713","ZINC000095618799","ZINC95618799"," ","C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO"
"4714","ZINC000095618801","ZINC95618801"," ","CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"
"4715","ZINC000095618802","ZINC95618802"," ","CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H]([C@H](C)O)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O"
"4716","ZINC000095618803","ZINC95618803"," ","CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](NC)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"4717","ZINC000095618804","ZINC95618804"," ","CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](NC)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"4718","ZINC000095618805","ZINC95618805"," ","C[C@@H]1C[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"4719","ZINC000095618806","ZINC95618806"," ","C[C@@H]1C[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"4720","ZINC000095618807","ZINC95618807"," ","C[C@@H]1C[C@H]2[C@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO"
"4721","ZINC000095618810","ZINC95618810"," ","CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@]1(C)O"
"4722","ZINC000095618817","ZINC95618817","3'-Demethyletoposide","COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(O)c1O"
"4723","ZINC000095618821","ZINC95618821","Metabolite M6","CC(C)(C)/N=C(\O)[C@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)/C(O)=N\[C@@H]1c2ccccc2C[C@@H]1O"
"4724","ZINC000095618827","ZINC95618827"," ","C[C@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"4725","ZINC000095618829","ZINC95618829","M2 Di-Hydroxylated Metabolite","C/N=C(\O)[C@H](O)c1cc(O)c2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1"
"4726","ZINC000095618830","ZINC95618830","M2 Di-Hydroxylated Metabolite","C/N=C(\O)[C@@H](O)c1cc(O)c2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1"
"4727","ZINC000095618832","ZINC95618832"," ","C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](O)[C@H](O)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@@H]2OC"
"4728","ZINC000095618834","ZINC95618834","Desethylzaleplon","CCNc1cccc(-c2ccnc3c(C#N)cnn23)c1"
"4729","ZINC000095618835","ZINC95618835","Triazolopyridinone Epoxide","O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1C=C[C@@H]1O[C@H]21"
"4730","ZINC000095618836","ZINC95618836","Triazolopyridinone Epoxide","O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1C=C[C@H]1O[C@@H]21"
"4731","ZINC000095618838","ZINC95618838"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C"
"4732","ZINC000095618840","ZINC95618840"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"4733","ZINC000095618842","ZINC95618842"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C"
"4734","ZINC000095618843","ZINC95618843"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C"
"4735","ZINC000095618845","ZINC95618845","1-Beta-Hydroxymedroxyprogesterone","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C"
"4736","ZINC000095618846","ZINC95618846"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C"
"4737","ZINC000095618847","ZINC95618847"," ","CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C"
"4738","ZINC000095618849","ZINC95618849","Clofarabind-5'-Monophosphate","Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1F"
"4739","ZINC000095618850","ZINC95618850","Beta-Oxycodol","COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314"
"4740","ZINC000095618851","ZINC95618851"," ","C[C@@H]1C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O"
"4741","ZINC000095618852","ZINC95618852"," ","C[C@@H]1C[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O"
"4742","ZINC000095618854","ZINC95618854","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C"
"4743","ZINC000095618855","ZINC95618855","5-Hydroxy Saxagliptin","N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@@](O)(C3)C2"
"4744","ZINC000095618856","ZINC95618856","Lamotrigine-2-N-Glucuronide","N=c1nc(N)n([C@@H]2C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)nc1-c1cccc(Cl)c1Cl"
"4745","ZINC000095618857","ZINC95618857","Ortho-Hydroxyrosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncccc1O"
"4746","ZINC000095618858","ZINC95618858","Ortho-Hydroxyrosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncccc1O"
"4747","ZINC000095618861","ZINC95618861","Buspirone N-Oxide","O=C1CC2(CCCC2)CC(=O)N1CCCC[N+]1([O-])CCN(c2ncccn2)CC1"
"4748","ZINC000095618862","ZINC95618862","3'-Hydroxybuspirone","O=C1CC2(CC[C@H](O)C2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"
"4749","ZINC000095618863","ZINC95618863","3'-Hydroxybuspirone","O=C1CC2(CC[C@@H](O)C2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1"
"4750","ZINC000095618864","ZINC95618864","3-Hydroxy-4-Aminopyridine Sulfate","Nc1ccncc1OS(=O)(=O)O"
"4751","ZINC000095618865","ZINC95618865","4-Hydroxytamoxifen Sulfate","CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OS(=O)(=O)O)cc1)c1ccccc1"
"4752","ZINC000095618866","ZINC95618866","4-Hydroxytamoxifen-N-Glucuronide","CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNO[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1"
"4753","ZINC000095618867","ZINC95618867","4-Hydroxytamoxifen-N-Glucuronide","CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNO[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1"
"4754","ZINC000095618868","ZINC95618868","4-Hydroxytamoxifen-O-Glucuronide","CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1"
"4755","ZINC000095618869","ZINC95618869","4-Hydroxytamoxifen-O-Glucuronide","CC/C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1"
"4756","ZINC000095618870","ZINC95618870"," ","C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1"
"4757","ZINC000095618874","ZINC95618874","5-Hydroxy, 6-Methoxy Duloxetine Sulfate","CNCC[C@H](Oc1cccc2c(OS(=O)(=O)O)c(OC)ccc12)c1ccco1"
"4758","ZINC000095618875","ZINC95618875","5-Hydroxy, 6-Methoxy Duloxetine Sulfate","CNCC[C@@H](Oc1cccc2c(OS(=O)(=O)O)c(OC)ccc12)c1ccco1"
"4759","ZINC000095618876","ZINC95618876","6-Methyl-Griseofulvin","COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(C)cc(OC)c1C2=O"
"4760","ZINC000095618877","ZINC95618877","8-Hydroxynevirapine Glucuronide","Cc1ccnc2c1NC(=O)c1cc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)cnc1N2C1CC1"
"4761","ZINC000095618878","ZINC95618878","Celecoxib Glucuronide","NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc1"
"4762","ZINC000095618879","ZINC95618879","Celecoxib Glucuronide","NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(O[C@@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc1"
"4763","ZINC000095618880","ZINC95618880","Clofazimine Glucuronide","C[C@@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"4764","ZINC000095618881","ZINC95618881","Clofazimine Glucuronide","C[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"4765","ZINC000095618882","ZINC95618882","Clofazimine Glucuronide","C[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"4766","ZINC000095618883","ZINC95618883","Clofazimine Glucuronide","C[C@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"4767","ZINC000095618884","ZINC95618884","Di-Hydroxymelatonin","COc1c(O)cc2[nH]cc(CCNC(C)=O)c2c1O"
"4768","ZINC000095618885","ZINC95618885"," ","CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@H]3[C@H]1C5"
"4769","ZINC000095618886","ZINC95618886","Doxepin N-Oxide Glucuronide","C[N+](C)(CC/C=C1\c2ccccc2COc2ccccc21)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4770","ZINC000095618887","ZINC95618887","Endoxifen Sulfate","CC/C(=C(/c1ccc(OCCNC)cc1)c1ccc(OS(=O)(=O)O)cc1)c1ccccc1"
"4771","ZINC000095618890","ZINC95618890","Hydroxy-Lacosamide","COC[C@@H](NCC(=O)O)C(=O)NCc1ccc(O)cc1"
"4772","ZINC000095618891","ZINC95618891","Hydroxyclomipramine Glucuronide","CN(C)CCCN1c2cc(Cl)ccc2CCc2c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cccc21"
"4773","ZINC000095618892","ZINC95618892","Hydroxyl Frovatriptan","CN[C@@H]1CC[C@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4774","ZINC000095618893","ZINC95618893","Hydroxyl Frovatriptan","CN[C@H]1CC[C@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4775","ZINC000095618894","ZINC95618894","Hydroxyl Frovatriptan","CN[C@@H]1CC[C@@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4776","ZINC000095618895","ZINC95618895","Hydroxyl Frovatriptan","CN[C@H]1CC[C@@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4777","ZINC000095618896","ZINC95618896","Hydroxylated N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@@H]1CC[C@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4778","ZINC000095618897","ZINC95618897","Hydroxylated N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@H]1CC[C@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4779","ZINC000095618898","ZINC95618898","Hydroxylated N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@@H]1CC[C@@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4780","ZINC000095618899","ZINC95618899","Hydroxylated N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@H]1CC[C@@H]2Nc3c(O)cc(C(N)=O)cc3[C@@H]2C1"
"4781","ZINC000095618900","ZINC95618900","Indacaterol-8-O-Glucuronide","CCc1cc2c(cc1CC)CC(NC[C@@H](O)c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3[nH]c(=O)ccc13)C2"
"4782","ZINC000095618901","ZINC95618901","Lorcaserin Sulfamate","C[C@@H]1CN(S(=O)(=O)O)CCc2ccc(Cl)cc21"
"4783","ZINC000095618902","ZINC95618902","Lorcaserin Sulfamate","C[C@H]1CN(S(=O)(=O)O)CCc2ccc(Cl)cc21"
"4784","ZINC000095618903","ZINC95618903","Monic Acid","C/C(=C\C(=O)O)C[C@@H]1CC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O"
"4785","ZINC000095618904","ZINC95618904","Monic Acid","C/C(=C\C(=O)O)C[C@@H]1CC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O"
"4786","ZINC000095618905","ZINC95618905","Monic Acid","C/C(=C\C(=O)O)C[C@@H]1CC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O"
"4787","ZINC000095618906","ZINC95618906","Monic Acid","C/C(=C\C(=O)O)C[C@@H]1CC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O"
"4788","ZINC000095618907","ZINC95618907","N-(2-Hydroxyethyl)-Morpholine N-Oxide","OCCON1CCOCC1"
"4789","ZINC000095618908","ZINC95618908","N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@@H]1CC[C@H]2Nc3ccc(C(N)=O)cc3[C@@H]2C1"
"4790","ZINC000095618909","ZINC95618909","N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@H]1CC[C@H]2Nc3ccc(C(N)=O)cc3[C@@H]2C1"
"4791","ZINC000095618910","ZINC95618910","N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@@H]1CC[C@@H]2Nc3ccc(C(N)=O)cc3[C@@H]2C1"
"4792","ZINC000095618911","ZINC95618911","N-Acetyl Desmethyl Frovatriptan","CC(=O)N[C@H]1CC[C@@H]2Nc3ccc(C(N)=O)cc3[C@@H]2C1"
"4793","ZINC000095618912","ZINC95618912","N-Carbamoyl Glucuronide Lorcaserin","C[C@@H]1CN(C(=O)O[C@H]2O[C@@H](C(=O)O)[C@H](C)[C@@H](C)[C@@H]2C)CCc2ccc(Cl)cc21"
"4794","ZINC000095618913","ZINC95618913","N-Carbamoyl Glucuronide Lorcaserin","C[C@@H]1CN(C(=O)O[C@@H]2O[C@@H](C(=O)O)[C@H](C)[C@@H](C)[C@@H]2C)CCc2ccc(Cl)cc21"
"4795","ZINC000095618914","ZINC95618914","N-Carbamoyl Glucuronide Lorcaserin","C[C@@H]1[C@@H](OC(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)O[C@@H](C(=O)O)[C@H](C)[C@H]1C"
"4796","ZINC000095618915","ZINC95618915","N-Carbamoyl Glucuronide Lorcaserin","C[C@@H]1[C@H](OC(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)O[C@@H](C(=O)O)[C@H](C)[C@H]1C"
"4797","ZINC000095618916","ZINC95618916","N-Trifluoroacetyladriamycin","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1"
"4798","ZINC000095618917","ZINC95618917","N,n-Didemethyl Orphenadrine","Cc1ccccc1[C@H](OCCN)c1ccccc1"
"4799","ZINC000095618918","ZINC95618918","N,n-Didemethyl Orphenadrine","Cc1ccccc1[C@@H](OCCN)c1ccccc1"
"4800","ZINC000095618919","ZINC95618919","Norfluoxetine Glucuronide","O=C(O)[C@H]1O[C@H](ONCC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"
"4801","ZINC000095618920","ZINC95618920","Norfluoxetine Glucuronide","O=C(O)[C@H]1O[C@H](ONCC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"
"4802","ZINC000095618921","ZINC95618921","Norfluoxetine Glucuronide","O=C(O)[C@H]1O[C@@H](ONCC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"
"4803","ZINC000095618922","ZINC95618922","Norfluoxetine Glucuronide","O=C(O)[C@H]1O[C@@H](ONCC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O"
"4804","ZINC000095618923","ZINC95618923","P-Hydroxyl-Ethotoin","CCN1C(=O)N[C@@H](c2ccc(O)cc2)C1=O"
"4805","ZINC000095618924","ZINC95618924","P-Hydroxyl-Ethotoin","CCN1C(=O)N[C@H](c2ccc(O)cc2)C1=O"
"4806","ZINC000095618925","ZINC95618925","Pyridine N-Oxide Glucuronide","O=C(O)[C@@H]1O[C@H](O[n+]2ccccc2)[C@@H](O)[C@H](O)[C@H]1O"
"4807","ZINC000095619100","ZINC95619100","Ranolazine","COc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1"
"4808","ZINC000095619101","ZINC95619101","Ranolazine","COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1"
"4809","ZINC000095619105","ZINC95619105","Methylergonovine","CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1"
"4810","ZINC000095619106","ZINC95619106","Mtq","OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"
"4811","ZINC000095619107","ZINC95619107","Mtq","OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"
"4812","ZINC000095619110","ZINC95619110","Nordihydrocodeine","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)NCC[C@]314"
"4813","ZINC000095619111","ZINC95619111","Nordihydrocodeine","COc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@H]4[C@@H](C2)NCC[C@]314"
"4814","ZINC000095619112","ZINC95619112","Nordihydrocodeine","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@H]4[C@@H](C2)NCC[C@@]341"
"4815","ZINC000095619113","ZINC95619113","Nordihydrocodeine","COc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@@H]4[C@@H](C2)NCC[C@]314"
"4816","ZINC000095619120","ZINC95619120","3-Trans-Hydroxycyclohexyl Glyburide","COc1ccc(Cl)cc1/C(O)=N\CCc1ccc(S(=O)(=O)/N=C(\O)N[C@@H]2CCC[C@@H](O)C2)cc1"
"4817","ZINC000095619124","ZINC95619124","3-Cis-Hydroxycyclohexyl Glyburide","COc1ccc(Cl)cc1/C(O)=N\CCc1ccc(S(=O)(=O)/N=C(\O)N[C@@H]2CCC[C@H](O)C2)cc1"
"4818","ZINC000095626706","ZINC95626706","Midazolam","Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2"
"4819","ZINC000095626782","ZINC95626782","Oxytetracycline","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12"
"4820","ZINC000095628210","ZINC95628210"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O"
"4821","ZINC000095660919","ZINC95660919","Mephobarbital","CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O"
"4822","ZINC000095671365","ZINC95671365","Mephobarbital","CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O"
"4823","ZINC000095803295","ZINC95803295"," ","CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)O"
"4824","ZINC000095803296","ZINC95803296"," ","CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)O"
"4825","ZINC000095862725","ZINC95862725"," ","C[C@@H]1O[C@@H](OC[C@H]2O[C@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"
"4826","ZINC000095862733","ZINC95862733"," ","C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"
"4827","ZINC000095889730","ZINC95889730"," ","CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C"
"4828","ZINC000095892888","ZINC95892888","5'-Hydroxymethyl Meloxicam","CN1C(/C(O)=N\c2ncc(CO)s2)=C(O)c2ccccc2S1(=O)=O"
"4829","ZINC000095908875","ZINC95908875","Hydroxycotinine","CN1C(=O)[C@H](O)C[C@H]1c1cccnc1"
"4830","ZINC000095915244","ZINC95915244"," ","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O"
"4831","ZINC000095932071","ZINC95932071","6-Hydroxychlorzoxazone","O=c1[nH]c2cc(Cl)c(O)cc2o1"
"4832","ZINC000096006009","ZINC96006009","Sulfisoxazole","Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C"
"4833","ZINC000096006012","ZINC96006012"," ","CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O"
"4834","ZINC000096006013","ZINC96006013","Cisatracurium","COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"4835","ZINC000096006014","ZINC96006014","Atracurium","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"4836","ZINC000096006015","ZINC96006015","Atracurium","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"4837","ZINC000096006016","ZINC96006016","Roxithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4838","ZINC000096006018","ZINC96006018"," ","CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"
"4839","ZINC000096006019","ZINC96006019"," ","CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@@H]2C)[C@]1(C)O"
"4840","ZINC000096006020","ZINC96006020","Paclitaxel","CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C"
"4841","ZINC000096006021","ZINC96006021","Josamycin","CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O"
"4842","ZINC000096006023","ZINC96006023"," ","CCO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1"
"4843","ZINC000096006024","ZINC96006024"," ","CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5C[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1"
"4844","ZINC000096006041","ZINC96006041","Coenzyme A","CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS"
"4845","ZINC000096014304","ZINC96014304"," ","CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4846","ZINC000096014305","ZINC96014305"," ","CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4847","ZINC000096014306","ZINC96014306"," ","CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"4848","ZINC000096014307","ZINC96014307"," ","CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O"
"4849","ZINC000096014710","ZINC96014710"," ","CC1=C(/C=C\C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1"
"4850","ZINC000096015174","ZINC96015174","Glycyrrhizinate Dipotassium","CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C"
"4851","ZINC000096030444","ZINC96030444"," ","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3C(=C)C[C@@]21CC"
"4852","ZINC000096031078","ZINC96031078"," ","C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O"
"4853","ZINC000096061888","ZINC96061888"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O"
"4854","ZINC000096077628","ZINC96077628","T4s","N[C@@H](Cc1cc(I)c(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O"
"4855","ZINC000096077882","ZINC96077882"," ","O=C1CCO[P@@](=O)(N(CCCl)CCCl)N1"
"4856","ZINC000096077883","ZINC96077883","4-Ketoifosfamide","O=C1CCO[P@@](=O)(NCCCl)N1CCCl"
"4857","ZINC000096077887","ZINC96077887","2-Oxomelatonin","COc1ccc2c(c1)[C@@H](CCNC(C)=O)C(=O)N2"
"4858","ZINC000096077893","ZINC96077893","<i>ortho</i>-Hydroxyatorvastatin","CC(C)c1c(/C(O)=N\c2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)O"
"4859","ZINC000096095661","ZINC96095661","Dirithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O"
"4860","ZINC000096272772","ZINC96272772","Ceritinib","Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1"
"4861","ZINC000096286563","ZINC96286563"," ","CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C"
"4862","ZINC000096298875","ZINC96298875","2,6-Dihydroanthra/1,9-Cd/pyrazol-6-One","O=C1c2ccccc2-c2[nH]nc3cccc1c23"
"4863","ZINC000096309558","ZINC96309558"," ","C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O"
"4864","ZINC000096903163","ZINC96903163"," ","C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C"
"4865","ZINC000096942201","ZINC96942201","Felodipine","CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl"
"4866","ZINC000096942202","ZINC96942202","Felodipine","CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl"
"4867","ZINC000097974884","ZINC97974884","Hydromorphone-3-Sulphate","CN1CC[C@]23c4c5ccc(OS(=O)(=O)O)c4O[C@@H]2C(=O)CC[C@H]3[C@H]1C5"
"4868","ZINC000097975981","ZINC97975981","Tauroursodeoxycholic Acid","C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"4869","ZINC000098023177","ZINC98023177"," ","C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"
"4870","ZINC000098188622","ZINC98188622"," ","Oc1ccc2c3c1O[C@@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314"
"4871","ZINC000100001908","ZINC100001908","Nitrendipin","CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1"
"4872","ZINC000100001918","ZINC100001918","Isradipin","COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12"
"4873","ZINC000100001964","ZINC100001964","Amlodipine","CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl"
"4874","ZINC000100001965","ZINC100001965","Amlodipine","CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl"
"4875","ZINC000100002768","ZINC100002768","3-Amino-1-Hydroxy-5,7-Dimethyl-Adamantane","C[C@@]12CC3(N)CC(O)(C1)C[C@@](C)(C3)C2"
"4876","ZINC000100002769","ZINC100002769","3-Amino-1-Hydroxy-5,7-Dimethyl-Adamantane","C[C@]12CC3(N)CC(O)(C1)C[C@](C)(C3)C2"
"4877","ZINC000100003200","ZINC100003200","Memantine","C[C@@]12CC3CC(N)(C1)C[C@@](C)(C3)C2"
"4878","ZINC000100003201","ZINC100003201","Memantine","C[C@]12CC3CC(N)(C1)C[C@](C)(C3)C2"
"4879","ZINC000100003504","ZINC100003504","Idramantone","O=C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2"
"4880","ZINC000100003506","ZINC100003506","Idramantone","O=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2"
"4881","ZINC000100003507","ZINC100003507","Equa","N#C[C@@H]1CCCN1C(=O)CNC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2"
"4882","ZINC000100003509","ZINC100003509","Equa","N#C[C@@H]1CCCN1C(=O)CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2"
"4883","ZINC000100003676","ZINC100003676"," ","CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2"
"4884","ZINC000100003677","ZINC100003677"," ","CN1[C@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2"
"4885","ZINC000100003902","ZINC100003902","Maraviroc","Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"
"4886","ZINC000100003913","ZINC100003913","Clorindione","O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1"
"4887","ZINC000100004227","ZINC100004227","Phenylbutazone","CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"
"4888","ZINC000100004231","ZINC100004231","Usaf Ge-13","O=C1C(CC[S@@](=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"
"4889","ZINC000100004233","ZINC100004233","Usaf Ge-13","O=C1C(CC[S@](=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"
"4890","ZINC000100004242","ZINC100004242","Ketophenylbutazone","CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O"
"4891","ZINC000100004249","ZINC100004249","Sulfinpyrazone Sulfide","O=C1C(CCSc2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1"
"4892","ZINC000100004343","ZINC100004343","Coartem","CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"
"4893","ZINC000100004345","ZINC100004345","Coartem","CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"
"4894","ZINC000100004862","ZINC100004862","Phenindione","O=C1c2ccccc2C(=O)C1c1ccccc1"
"4895","ZINC000100005073","ZINC100005073","Indigo Carmine","O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21"
"4896","ZINC000100005085","ZINC100005085","Varenicline","c1cnc2cc3c(cc2n1)[C@H]1CNC[C@H]3C1"
"4897","ZINC000100005148","ZINC100005148","Manidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1"
"4898","ZINC000100005150","ZINC100005150","Manidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1"
"4899","ZINC000100005670","ZINC100005670","Pamabrom","Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O"
"4900","ZINC000100006264","ZINC100006264","Rax","CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O"
"4901","ZINC000100006429","ZINC100006429","Tenoxicam","CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O"
"4902","ZINC000100006441","ZINC100006441","Edarabone","Cc1cc(=O)n(-c2ccccc2)[nH]1"
"4903","ZINC000100006770","ZINC100006770","Vasc","O=C1O[C@H]([C@@H](O)CO)C(O)=C1O"
"4904","ZINC000100007011","ZINC100007011","Lysteda","NC[C@@H]1CC[C@@H](C(=O)O)CC1"
"4905","ZINC000100008275","ZINC100008275","Cyclophosphamide","O=[P@@]1(N(CCCl)CCCl)NCCCO1"
"4906","ZINC000100008319","ZINC100008319"," ","C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21"
"4907","ZINC000100008403","ZINC100008403"," ","O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO"
"4908","ZINC000100009278","ZINC100009278","Atropine","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2"
"4909","ZINC000100009280","ZINC100009280","Hyoscyamine","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2"
"4910","ZINC000100009383","ZINC100009383"," ","O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
"4911","ZINC000100011067","ZINC100011067","Barnidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1"
"4912","ZINC000100011979","ZINC100011979","Drotaverin","CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC"
"4913","ZINC000100013130","ZINC100013130","Midostaurin","CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4"
"4914","ZINC000100013500","ZINC100013500"," ","C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"
"4915","ZINC000100014475","ZINC100014475","Orfadin","O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]"
"4916","ZINC000100014791","ZINC100014791","Artemisin","C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4"
"4917","ZINC000100014880","ZINC100014880","Benidipine","COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1"
"4918","ZINC000100014909","ZINC100014909","Nintedanib","COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1"
"4919","ZINC000100014940","ZINC100014940","Beperiden","O[C@@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2"
"4920","ZINC000100014943","ZINC100014943","Beperiden","O[C@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2"
"4921","ZINC000100014947","ZINC100014947","Beperiden","O[C@@](CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2"
"4922","ZINC000100014950","ZINC100014950","Beperiden","O[C@](CCN1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@H]1C2"
"4923","ZINC000100015048","ZINC100015048","Dn-101","C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O"
"4924","ZINC000100015190","ZINC100015190","Sintrom","CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O"
"4925","ZINC000100015192","ZINC100015192","Sintrom","CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O"
"4926","ZINC000100015470","ZINC100015470","Lacidipine","CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C"
"4927","ZINC000100015486","ZINC100015486","Anisindione","COc1ccc(C2C(=O)c3ccccc3C2=O)cc1"
"4928","ZINC000100015491","ZINC100015491","Lornoxicam","CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O"
"4929","ZINC000100015775","ZINC100015775","Ipratropium","CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2"
"4930","ZINC000100015780","ZINC100015780","Ipratropium","CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2"
"4931","ZINC000100016058","ZINC100016058","Tipranavir","CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1"
"4932","ZINC000100016084","ZINC100016084","Trospium","O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"
"4933","ZINC000100016393","ZINC100016393","Homatropine","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](O)c1ccccc1)C2"
"4934","ZINC000100016396","ZINC100016396","Homatropine","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2"
"4935","ZINC000100017404","ZINC100017404","Fumaderm","COC(=O)/C=C\C(=O)OC"
"4936","ZINC000100017456","ZINC100017456","7-Hydroxygranisetron","CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2"
"4937","ZINC000100017736","ZINC100017736"," ","CC(C)(O)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C"
"4938","ZINC000100017742","ZINC100017742"," ","CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C"
"4939","ZINC000100017856","ZINC100017856","Mepron","O=C1C(O)=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21"
"4940","ZINC000100018165","ZINC100018165","8-Chlorotheophylline","Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O"
"4941","ZINC000100018594","ZINC100018594","Trosec","O=C(OC1C[C@@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"
"4942","ZINC000100018598","ZINC100018598","Trosec","O=C(OC1C[C@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"
"4943","ZINC000100018852","ZINC100018852","[3h]granisetron","CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2"
"4944","ZINC000100018854","ZINC100018854"," ","CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2"
"4945","ZINC000100018867","ZINC100018867"," ","O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O"
"4946","ZINC000100019007","ZINC100019007","Dtic","CN(C)/N=N/c1[nH]cnc1C(N)=O"
"4947","ZINC000100019188","ZINC100019188","Methazolamide","CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C"
"4948","ZINC000100019233","ZINC100019233","Tropisetron","CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2"
"4949","ZINC000100020220","ZINC100020220"," ","CC(C)(O)[C@@H]1CC[C@@](C)(O)CC1"
"4950","ZINC000100022257","ZINC100022257"," ","CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C"
"4951","ZINC000100022260","ZINC100022260"," ","CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C"
"4952","ZINC000100022637","ZINC100022637","Tpv","CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)=C(O)O1"
"4953","ZINC000100024116","ZINC100024116","Lindan","Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl"
"4954","ZINC000100026355","ZINC100026355","Otc","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12"
"4955","ZINC000100027531","ZINC100027531","Pamine","C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21"
"4956","ZINC000100029264","ZINC100029264","Aldophosphamide","N[P@@](=O)(OCCC=O)N(CCCl)CCCl"
"4957","ZINC000100029423","ZINC100029423"," ","CN1C[C@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21"
"4958","ZINC000100029428","ZINC100029428","Carbazochrome","CN1C[C@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21"
"4959","ZINC000100030631","ZINC100030631","Phensuximide","CN1C(=O)C[C@@H](c2ccccc2)C1=O"
"4960","ZINC000100030674","ZINC100030674","Phenprocumone","CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O"
"4961","ZINC000100030679","ZINC100030679","Phenprocumone","CC[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O"
"4962","ZINC000100030989","ZINC100030989","Trovafloxacin","N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12"
"4963","ZINC000100031739","ZINC100031739","Equilin","C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O"
"4964","ZINC000100032379","ZINC100032379","Tipiracil","N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl"
"4965","ZINC000100034211","ZINC100034211","8-Oxy-Caffeine","Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O"
"4966","ZINC000100034396","ZINC100034396","1,7-Dimethyluric Acid","Cn1c(=O)[nH]c2[nH]c(=O)n(C)c2c1=O"
"4967","ZINC000100035385","ZINC100035385"," ","C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2"
"4968","ZINC000100035525","ZINC100035525","Enzacamene","Cc1ccc(/C=C2/C(=O)[C@@]3(C)CC[C@H]2C3(C)C)cc1"
"4969","ZINC000100036536","ZINC100036536","Benztropine","CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2"
"4970","ZINC000100036751","ZINC100036751"," ","C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21"
"4971","ZINC000100036756","ZINC100036756","Pamine","C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12"
"4972","ZINC000100036760","ZINC100036760","Methscopolamine","C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21"
"4973","ZINC000100036823","ZINC100036823"," ","CCCC(CCC)C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C"
"4974","ZINC000100036827","ZINC100036827"," ","CCCC(CCC)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C"
"4975","ZINC000100036830","ZINC100036830","Anisotropine","CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C"
"4976","ZINC000100036834","ZINC100036834"," ","CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C"
"4977","ZINC000100036900","ZINC100036900","Cyclothiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O"
"4978","ZINC000100036904","ZINC100036904","Cyclothiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O"
"4979","ZINC000100036907","ZINC100036907","Cyclothiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H]([C@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O"
"4980","ZINC000100036910","ZINC100036910","Cyclothiazide","NS(=O)(=O)c1cc2c(cc1Cl)N[C@H]([C@H]1C[C@H]3C=C[C@H]1C3)NS2(=O)=O"
"4981","ZINC000100036919","ZINC100036919","Candoxatril","COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2"
"4982","ZINC000100036924","ZINC100036924","Demeclocycline","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12"
"4983","ZINC000100036938","ZINC100036938","Artenimol","C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4"
"4984","ZINC000100036955","ZINC100036955","Mecamylamine","CN[C@]1(C)[C@H]2CC[C@@H](C2)C1(C)C"
"4985","ZINC000100036957","ZINC100036957"," ","CN[C@]1(C)[C@@H]2CC[C@H](C2)C1(C)C"
"4986","ZINC000100037020","ZINC100037020","See","CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21"
"4987","ZINC000100037087","ZINC100037087","Halogabide","NC(=O)CCCN/C(=C1\C=C(F)C=CC1=O)c1ccc(Cl)cc1"
"4988","ZINC000100037101","ZINC100037101","Clofazimine","CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1"
"4989","ZINC000100037132","ZINC100037132","Flupenthixol","OCCN1CCN(CC/C=C2/c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1"
"4990","ZINC000100037135","ZINC100037135","Flupenthixol","OCCN1CCN(CC/C=C2/c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1"
"4991","ZINC000100037178","ZINC100037178","Methacyclin","C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)[C@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"4992","ZINC000100037181","ZINC100037181","Methacyclin","C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)[C@@H](C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12"
"4993","ZINC000100037710","ZINC100037710","Fencamfamin","CCN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1"
"4994","ZINC000100037714","ZINC100037714","Fencamfamin","CCN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1"
"4995","ZINC000100037855","ZINC100037855","Picato","C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C"
"4996","ZINC000100037885","ZINC100037885","Saxagliptin","N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2"
"4997","ZINC000100037890","ZINC100037890","Saxagliptin","N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2"
"4998","ZINC000100037964","ZINC100037964","Ioflupane","COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2CCCF"
"4999","ZINC000100037971","ZINC100037971","Ioflupane","COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@H]2CC[C@H]1N2CCCF"
"5000","ZINC000100038281","ZINC100038281"," ","CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"5001","ZINC000100038287","ZINC100038287"," ","CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O"
"5002","ZINC000100038546","ZINC100038546","Trilostane","C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O"
"5003","ZINC000100040388","ZINC100040388"," ","CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)C(=O)C=C21"
"5004","ZINC000100042076","ZINC100042076","Endo-Atropine Sulfate","CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2"
"5005","ZINC000100042145","ZINC100042145"," ","CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2"
"5006","ZINC000100042629","ZINC100042629"," ","CCOc1ccc(/C=C2/NCCc3cc(OCC)c(OCC)cc32)cc1OCC"
"5007","ZINC000100043983","ZINC100043983","Oxytheophylline","Cn1c(=O)c2[nH]c(=O)[nH]c2n(C)c1=O"
"5008","ZINC000100045148","ZINC100045148","Carbazochrome","CN1C[C@@H](O)C2=C/C(=N/NC(N)=O)C(=O)C=C21"
"5009","ZINC000100047524","ZINC100047524"," ","C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21"
"5010","ZINC000100048501","ZINC100048501","Tartrazine","O=C(O)c1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1"
"5011","ZINC000100050346","ZINC100050346"," ","CCCC[C@H](CC)COC(=O)C[C@@H](C(=O)OC[C@H](CC)CCCC)S(=O)(=O)O"
"5012","ZINC000100050351","ZINC100050351"," ","CCCC[C@H](CC)COC(=O)C[C@H](C(=O)OC[C@H](CC)CCCC)S(=O)(=O)O"
"5013","ZINC000100051205","ZINC100051205","Codein","COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)N(C)CC[C@@]341"
"5014","ZINC000100051242","ZINC100051242","Calcitroate","C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC(=O)O)C[C@@H](O)C[C@@H]1O"
"5015","ZINC000100051302","ZINC100051302","Rac-5,6-Epoxy-Retinoate","CC(/C=C/[C@@]12O[C@@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O"
"5016","ZINC000100051308","ZINC100051308","Rac-5,6-Epoxy-Retinoate","CC(/C=C/[C@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O"
"5017","ZINC000100051339","ZINC100051339","Sulfamethoxazole N1-Glucuronide","Cc1cc(N([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)no1"
"5018","ZINC000100051344","ZINC100051344","Sulfamethoxazole N1-Glucuronide","Cc1cc(N([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)S(=O)(=O)c2ccc(N)cc2)no1"
"5019","ZINC000100051348","ZINC100051348","4-Hydroxycyclophosphamide","O=[P@]1(N(CCCl)CCCl)N[C@H](O)CCO1"
"5020","ZINC000100051350","ZINC100051350"," ","O=[P@@]1(NCCCl)NCCCO1"
"5021","ZINC000100051356","ZINC100051356","Aldoifosfamide","O=[P@@]1(NCCCl)OCC[C@H](O)N1CCCl"
"5022","ZINC000100051395","ZINC100051395","Thalidomide Arene Oxide","O=C1CC[C@@H](N2C(=O)C3=C[C@H]4O[C@@H]4C=C3C2=O)C(=O)N1"
"5023","ZINC000100051396","ZINC100051396","Thalidomide Arene Oxide","O=C1CC[C@H](N2C(=O)C3=C[C@H]4O[C@@H]4C=C3C2=O)C(=O)N1"
"5024","ZINC000100051398","ZINC100051398","S-6-Hydroxywarfarin","CC(=O)C[C@@H](c1ccccc1)c1c(O)oc2ccc(O)cc2c1=O"
"5025","ZINC000100051400","ZINC100051400","S-4'-Hydroxywarfarin","CC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)oc2ccccc2c1=O"
"5026","ZINC000100051402","ZINC100051402","R-4'-Hydroxywarfarin","CC(=O)C[C@H](c1ccc(O)cc1)c1c(O)oc2ccccc2c1=O"
"5027","ZINC000100051405","ZINC100051405","R-6-Hydroxywarfarin","CC(=O)C[C@H](c1ccccc1)c1c(O)oc2ccc(O)cc2c1=O"
"5028","ZINC000100051411","ZINC100051411","R-10-Hydroxywarfarin","CC(=O)[C@H](O)[C@H](c1ccccc1)c1c(O)oc2ccccc2c1=O"
"5029","ZINC000100051415","ZINC100051415","R-10-Hydroxywarfarin","CC(=O)[C@@H](O)[C@H](c1ccccc1)c1c(O)oc2ccccc2c1=O"
"5030","ZINC000100051419","ZINC100051419","R-8-Hydroxywarfarin","CC(=O)C[C@H](c1ccccc1)c1c(O)oc2c(O)cccc2c1=O"
"5031","ZINC000100051467","ZINC100051467","R-95913","O=C(C1CC1)[C@@H](c1ccccc1F)N1CCc2sc(O)cc2C1"
"5032","ZINC000100051471","ZINC100051471","R-95913","O=C(C1CC1)[C@H](c1ccccc1F)N1CCc2sc(O)cc2C1"
"5033","ZINC000100051482","ZINC100051482","Epoxy-Hexobarbital","CN1C(=O)NC(=O)[C@](C)([C@]23CCCC[C@@H]2O3)C1=O"
"5034","ZINC000100051487","ZINC100051487","Epoxy-Hexobarbital","CN1C(=O)NC(=O)[C@@](C)([C@]23CCCC[C@@H]2O3)C1=O"
"5035","ZINC000100051620","ZINC100051620","6-Hydroxygliclazide","Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CC[C@@H](O)[C@@H]3C2)cc1"
"5036","ZINC000100051666","ZINC100051666","E-10-Hydroxydesmethylnortriptyline","NCC/C=C1\c2ccccc2C[C@@H](O)c2ccccc21"
"5037","ZINC000100051669","ZINC100051669","E-10-Hydroxydesmethylnortriptyline","NCC/C=C1\c2ccccc2C[C@H](O)c2ccccc21"
"5038","ZINC000100051673","ZINC100051673","R-138727","O=C(O)CC1=C(S)CCN([C@@H](C(=O)C2CC2)c2ccccc2F)C1"
"5039","ZINC000100051679","ZINC100051679","R-138727","O=C(O)CC1=C(S)CCN([C@H](C(=O)C2CC2)c2ccccc2F)C1"
"5040","ZINC000100051684","ZINC100051684"," ","CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C"
"5041","ZINC000100052205","ZINC100052205","Mecamylamine","CN[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C"
"5042","ZINC000100052267","ZINC100052267"," ","C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2"
"5043","ZINC000100052681","ZINC100052681","Ventavis","CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21"
"5044","ZINC000100052685","ZINC100052685","Ventavis","CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21"
"5045","ZINC000100052688","ZINC100052688","Ventavis","CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21"
"5046","ZINC000100052691","ZINC100052691","Ventavis","CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21"
"5047","ZINC000100053072","ZINC100053072","Codeigene","COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@H](C2)[N+](C)([O-])CC[C@@]341"
"5048","ZINC000100053074","ZINC100053074","Codeigene","COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@H](C2)[N+](C)([O-])CC[C@@]341"
"5049","ZINC000100053080","ZINC100053080","Codeigene","COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)([O-])CC[C@@]341"
"5050","ZINC000100053083","ZINC100053083","Codeigene","COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)([O-])CC[C@@]341"
"5051","ZINC000100053086","ZINC100053086"," ","CN[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]3O[C@]4(O[C@@H]([C@@H](N)CO)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@@H]23)[C@@H]1O"
"5052","ZINC000100053090","ZINC100053090"," ","CN[C@H]1C[C@@H](N)[C@@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]3O[C@]4(O[C@@H]([C@@H](N)CO)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@@H]23)[C@@H]1O"
"5053","ZINC000100053092","ZINC100053092"," ","CN[C@@H]1C[C@H](N)[C@@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]3O[C@]4(O[C@@H]([C@@H](N)CO)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@@H]23)[C@@H]1O"
"5054","ZINC000100053097","ZINC100053097"," ","CN[C@H]1C[C@H](N)[C@@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]3O[C@]4(O[C@@H]([C@@H](N)CO)[C@@H](O)[C@@H](O)[C@@H]4O)O[C@@H]23)[C@@H]1O"
"5055","ZINC000100053131","ZINC100053131","Corgard","COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H](O)C2=O"
"5056","ZINC000100053150","ZINC100053150","Nortropanoline","O[C@H]1[C@H](O)[C@H](O)[C@H]2CC[C@@]1(O)N2"
"5057","ZINC000100053153","ZINC100053153","Nortropanoline","O[C@H]1[C@H]2CC[C@@](O)(N2)[C@@H](O)[C@@H]1O"
"5058","ZINC000100053167","ZINC100053167","Eddp","C/C=C1/N(C)[C@@H](C)CC1(c1ccccc1)c1ccccc1"
"5059","ZINC000100053171","ZINC100053171","Eddp","C/C=C1\N(C)[C@@H](C)CC1(c1ccccc1)c1ccccc1"
"5060","ZINC000100053185","ZINC100053185","Benzoylecgonine","CN1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2"
"5061","ZINC000100053191","ZINC100053191","Benzoylecgonine","CN1[C@@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2"
"5062","ZINC000100053204","ZINC100053204","Homocaine","CCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@@H]1N2C"
"5063","ZINC000100053206","ZINC100053206","Homocaine","CCOC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@@H]1N2C"
"5064","ZINC000100053272","ZINC100053272","Norcocaine","COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1C(=O)Oc1ccccc1)N2"
"5065","ZINC000100053276","ZINC100053276","Norcocaine","COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1C(=O)Oc1ccccc1)N2"
"5066","ZINC000100053295","ZINC100053295","N-Normorphine","Oc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)NCC[C@@]341"
"5067","ZINC000100053300","ZINC100053300","N-Normorphine","Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@H](C2)NCC[C@@]341"
"5068","ZINC000100053305","ZINC100053305","N-Normorphine","Oc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@H](C2)NCC[C@@]341"
"5069","ZINC000100053310","ZINC100053310","N-Normorphine","Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)NCC[C@@]341"
"5070","ZINC000100053320","ZINC100053320","Pibutidine","Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O"
"5071","ZINC000100053366","ZINC100053366"," ","NS(=O)(=O)c1cc(/C(O)=N/N2C[C@H]3[C@@H]4CC[C@H](C4)[C@H]3C2)ccc1Cl"
"5072","ZINC000100053563","ZINC100053563","Deoxydihydro-Artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23O4"
"5073","ZINC000100053566","ZINC100053566","Deoxydihydro-Artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23O4"
"5074","ZINC000100053593","ZINC100053593","Ketotifen-N-Glucuronide","C[N+]1([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"
"5075","ZINC000100053597","ZINC100053597","Ketotifen-N-Glucuronide","C[N+]1([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1"
"5076","ZINC000100053651","ZINC100053651","Endoxifen O-Glucuronide","CC[C@H](c1ccccc1)[C@@H](c1ccc(OCCNC)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"
"5077","ZINC000100053654","ZINC100053654","Endoxifen O-Glucuronide","CC[C@@H](c1ccccc1)[C@@H](c1ccc(OCCNC)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"
"5078","ZINC000100053656","ZINC100053656","Endoxifen O-Glucuronide","CC[C@H](c1ccccc1)[C@H](c1ccc(OCCNC)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"
"5079","ZINC000100053657","ZINC100053657","Endoxifen O-Glucuronide","CC[C@@H](c1ccccc1)[C@H](c1ccc(OCCNC)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1"
"5080","ZINC000100053660","ZINC100053660","Perindopril Acyl-Beta-D-Glucuronide","CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OCC"
"5081","ZINC000100053665","ZINC100053665","Perindopril Acyl-Beta-D-Glucuronide","CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC"
"5082","ZINC000100053667","ZINC100053667","Perindopril Acyl-Beta-D-Glucuronide","CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OCC"
"5083","ZINC000100053670","ZINC100053670","Perindopril Acyl-Beta-D-Glucuronide","CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC"
"5084","ZINC000100053678","ZINC100053678","(e)-2-Hydroxydoxepin Glucuronide","CN(C)CC/C=C1\c2ccccc2COc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"5085","ZINC000100053680","ZINC100053680","(e)-2-Hydroxydoxepin Glucuronide","CN(C)CC/C=C1\c2ccccc2COc2ccc(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"5086","ZINC000100053693","ZINC100053693","Mycophenolic Acid Glucuronide","COc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)c1C/C=C(/C)CCC(=O)O)C(=O)OC2"
"5087","ZINC000100053696","ZINC100053696","Mycophenolic Acid Glucuronide","COc1c(C)c2c(c(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)c1C/C=C(/C)CCC(=O)O)C(=O)OC2"
"5088","ZINC000100053758","ZINC100053758","Ascorbic Acid-2-Sulfate","O=C1O[C@H]([C@H](O)CO)C(O)=C1OS(=O)(=O)O"
"5089","ZINC000100053845","ZINC100053845","1-Amino-3-Hydroxymethyl-5-Methyl-Adamantane","C[C@@]12C[C@@H]3C[C@@](N)(C1)C[C@@](CO)(C3)C2"
"5090","ZINC000100053849","ZINC100053849","1-Amino-3-Hydroxymethyl-5-Methyl-Adamantane","C[C@]12C[C@@H]3C[C@@](N)(C1)C[C@@](CO)(C3)C2"
"5091","ZINC000100053855","ZINC100053855","1-Amino-3-Hydroxymethyl-5-Methyl-Adamantane","C[C@@]12C[C@H]3C[C@@](N)(C1)C[C@@](CO)(C3)C2"
"5092","ZINC000100053860","ZINC100053860","1-Amino-3-Hydroxymethyl-5-Methyl-Adamantane","C[C@]12C[C@H]3C[C@@](N)(C1)C[C@@](CO)(C3)C2"
"5093","ZINC000100053871","ZINC100053871","12-Hydroxynevirapine Glucuronide","Cc1ccnc2c1N=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2[C@@H]1C[C@@H]1O"
"5094","ZINC000100053876","ZINC100053876","12-Hydroxynevirapine Glucuronide","Cc1ccnc2c1N=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1N2[C@H]1C[C@@H]1O"
"5095","ZINC000100053979","ZINC100053979","3'-Amino-3'-Deoxythimidine Glucuronide","Cc1cn([C@@H]2C[C@@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O"
"5096","ZINC000100053983","ZINC100053983","3'-Amino-3'-Deoxythimidine Glucuronide","Cc1cn([C@H]2C[C@@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O"
"5097","ZINC000100053985","ZINC100053985","3'-Amino-3'-Deoxythimidine Glucuronide","Cc1cn([C@@H]2C[C@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O"
"5098","ZINC000100053987","ZINC100053987","3'-Amino-3'-Deoxythimidine Glucuronide","Cc1cn([C@H]2C[C@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O"
"5099","ZINC000100054019","ZINC100054019","4'-Hydroxyclobazam","CN1C(=O)CC(=O)N(c2ccc(O)cc2)c2cc(Cl)ccc21"
"5100","ZINC000100054067","ZINC100054067","6-Thioguanosine-5'- O- Triphosphate","C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O"
"5101","ZINC000100054069","ZINC100054069","6-Thioguanosine-5'- O- Triphosphate","C=C1NC(N)=Nc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O"
"5102","ZINC000100054071","ZINC100054071","6-Thioguanosine-5'- O- Triphosphate","C=C1NC(N)=Nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O"
"5103","ZINC000100054074","ZINC100054074","6-Thioguanosine-5'- O- Triphosphate","C=C1NC(N)=Nc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O"
"5104","ZINC000100054077","ZINC100054077","6-Beta-Naltrexol","Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314"
"5105","ZINC000100054079","ZINC100054079","6-Beta-Naltrexol","Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314"
"5106","ZINC000100054081","ZINC100054081","6-Beta-Naltrexol","Oc1ccc2c3c1O[C@H]1[C@H](O)CC[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314"
"5107","ZINC000100054084","ZINC100054084","6-Beta-Naltrexol","Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314"
"5108","ZINC000100054093","ZINC100054093","6-Hydroxymelatonin Glucuronide","COc1cc2c(CCNC(C)=O)c[nH]c2cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5109","ZINC000100054096","ZINC100054096","6-Hydroxymelatonin Glucuronide","COc1cc2c(CCNC(C)=O)c[nH]c2cc1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5110","ZINC000100054103","ZINC100054103","6-Thioxanthylic Acid","O=P(O)(O)[C@@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@@H](O)[C@@H]1O"
"5111","ZINC000100054111","ZINC100054111","6-Thioxanthylic Acid","O=P(O)(O)[C@@H](O)[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@@H]1O"
"5112","ZINC000100054124","ZINC100054124","6alpha-Hydroxy-Hydromorphone","CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"5113","ZINC000100054127","ZINC100054127","6alpha-Hydroxy-Hydromorphone","CN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"5114","ZINC000100054130","ZINC100054130","Nordihydroisomorphine","CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"5115","ZINC000100054168","ZINC100054168","Cyclic N-Acetylserotonin Glucuronide","CC(=O)N1CCc2c1[nH]c1ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"5116","ZINC000100054171","ZINC100054171","Cyclic N-Acetylserotonin Glucuronide","CC(=O)N1CCc2c1[nH]c1ccc(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc21"
"5117","ZINC000100054178","ZINC100054178","Didesmethyl Doxepin","NCC/C=C1\c2ccccc2COc2ccccc21"
"5118","ZINC000100054182","ZINC100054182"," ","CN1CC[C@@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"5119","ZINC000100054183","ZINC100054183"," ","CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"5120","ZINC000100054187","ZINC100054187"," ","CN1CC[C@@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"5121","ZINC000100054189","ZINC100054189"," ","CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"5122","ZINC000100054194","ZINC100054194","Doxorubicin-Semiquinone","COc1cccc2c1[C@@H](O)c1c(O)c3c(c(O)c1[C@@H]2O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5123","ZINC000100054198","ZINC100054198","Doxorubicin-Semiquinone","COc1cccc2c1[C@H](O)c1c(O)c3c(c(O)c1[C@@H]2O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5124","ZINC000100054201","ZINC100054201","Doxorubicin-Semiquinone","COc1cccc2c1[C@@H](O)c1c(O)c3c(c(O)c1[C@H]2O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5125","ZINC000100054205","ZINC100054205","Doxorubicin-Semiquinone","COc1cccc2c1[C@H](O)c1c(O)c3c(c(O)c1[C@H]2O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5126","ZINC000100054208","ZINC100054208","Doxorubicinol Aglycone","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](O)CO)C[C@@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5127","ZINC000100054210","ZINC100054210","Doxorubicinol Aglycone","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5128","ZINC000100054212","ZINC100054212","Doxorubicinol Aglycone","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5129","ZINC000100054214","ZINC100054214","Doxorubicinol Aglycone","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5130","ZINC000100054219","ZINC100054219","Hydromorphone-3-Glucuronide","CN1CC[C@@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2C(=O)CC[C@H]3[C@H]1C5"
"5131","ZINC000100054221","ZINC100054221","Hydromorphone-3-Glucuronide","CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@@H]2C(=O)CC[C@H]3[C@H]1C5"
"5132","ZINC000100054225","ZINC100054225","Hydromorphone-3-Sulphate","CN1CC[C@@]23c4c5ccc(OS(=O)(=O)O)c4O[C@@H]2C(=O)CC[C@H]3[C@H]1C5"
"5133","ZINC000100054230","ZINC100054230","Id14326","O=C1[C@@H]2[C@H]3CC[C@@H](C3O)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"
"5134","ZINC000100054232","ZINC100054232","Id14326","O=C1[C@@H]2[C@@H]3CC[C@@H](C3O)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"
"5135","ZINC000100054235","ZINC100054235","Id14326","O=C1[C@@H]2[C@@H]3CC[C@H](C3O)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1"
"5136","ZINC000100054239","ZINC100054239","Lacosamide-Glucuronide","COC[C@@H](NC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCc1ccccc1"
"5137","ZINC000100054242","ZINC100054242","Lacosamide-Glucuronide","COC[C@@H](NC(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCc1ccccc1"
"5138","ZINC000100054252","ZINC100054252","Melatonin Glucuronide","COc1ccc2c(c1)c(CCNC(C)=O)cn2[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5139","ZINC000100054255","ZINC100054255","Melatonin Glucuronide","COc1ccc2c(c1)c(CCNC(C)=O)cn2[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5140","ZINC000100054264","ZINC100054264","N-Acetylserotonin Glucuronide","CC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc12"
"5141","ZINC000100054267","ZINC100054267","N-Acetylserotonin Glucuronide","CC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)cc12"
"5142","ZINC000100054305","ZINC100054305","O-Desmethyl-Tramado Glucuronide","CN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"5143","ZINC000100054307","ZINC100054307","O-Desmethyl-Tramado Glucuronide","CN(C)C[C@H]1CCCC[C@@]1(O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"5144","ZINC000100054312","ZINC100054312","O-Desmethyl-Tramado Glucuronide","CN(C)C[C@@H]1CCCC[C@]1(O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"5145","ZINC000100054315","ZINC100054315","O-Desmethyl-Tramado Glucuronide","CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)c1"
"5146","ZINC000100054319","ZINC100054319","O-O-Glucuronide Rosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ncccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5147","ZINC000100054321","ZINC100054321","O-O-Glucuronide Rosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ncccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O"
"5148","ZINC000100054332","ZINC100054332","P-O-Glucuronide Rosiglitazone","CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cn1"
"5149","ZINC000100054334","ZINC100054334","P-O-Glucuronide Rosiglitazone","CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cn1"
"5150","ZINC000100054353","ZINC100054353","Phenytoin Arene-Oxide","O=C1NC(=O)[C@](C2=C[C@@H]3O[C@@H]3C=C2)(c2ccccc2)N1"
"5151","ZINC000100054359","ZINC100054359","Phenytoin Arene-Oxide","O=C1NC(=O)[C@@](C2=C[C@@H]3O[C@@H]3C=C2)(c2ccccc2)N1"
"5152","ZINC000100054361","ZINC100054361","Phenytoin Arene-Oxide","O=C1NC(=O)[C@](C2=C[C@H]3O[C@@H]3C=C2)(c2ccccc2)N1"
"5153","ZINC000100054365","ZINC100054365","Phenytoin Arene-Oxide","O=C1NC(=O)[C@@](C2=C[C@H]3O[C@@H]3C=C2)(c2ccccc2)N1"
"5154","ZINC000100054378","ZINC100054378","Phenytoin Dihydrodiol","O=C1NC(=O)[C@@](C2=C[C@@H](O)[C@@H](O)C=C2)(c2ccccc2)N1"
"5155","ZINC000100054455","ZINC100054455","9-Alpha,10-Alpha-Epoxyhexahydrocannabinol","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC[C@]3(C)O[C@H]3[C@@H]21"
"5156","ZINC000100054458","ZINC100054458","9-Alpha,10-Alpha-Epoxyhexahydrocannabinol","CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC[C@]3(C)O[C@H]3[C@H]21"
"5157","ZINC000100054497","ZINC100054497","Thiophene-4,5-Epoxide","C[C@@H](C(=O)O)c1ccc(C(=O)C2=C[C@@H]3O[C@@H]3S2)cc1"
"5158","ZINC000100054500","ZINC100054500","Thiophene-4,5-Epoxide","C[C@H](C(=O)O)c1ccc(C(=O)C2=C[C@@H]3O[C@@H]3S2)cc1"
"5159","ZINC000100054502","ZINC100054502","Thiophene-4,5-Epoxide","C[C@@H](C(=O)O)c1ccc(C(=O)C2=C[C@H]3O[C@@H]3S2)cc1"
"5160","ZINC000100054503","ZINC100054503","Thiophene-4,5-Epoxide","C[C@H](C(=O)O)c1ccc(C(=O)C2=C[C@H]3O[C@@H]3S2)cc1"
"5161","ZINC000100054513","ZINC100054513","4-Trans-Hydroxyglipizide","Cc1cnc(/C(O)=N\CCc2ccc(S(=O)(=O)N/C(O)=N\[C@@H]3CC[C@@H](O)CC3)cc2)cn1"
"5162","ZINC000100054519","ZINC100054519","4-Cis-Hydroxycyclohexyl Glyburide","COc1ccc(Cl)cc1/C(O)=N\CCc1ccc(S(=O)(=O)N/C(O)=N\[C@@H]2CC[C@H](O)CC2)cc1"
"5163","ZINC000100054527","ZINC100054527","4-Trans-Hydroxyglyburide","COc1ccc(Cl)cc1/C(O)=N\CCc1ccc(S(=O)(=O)N/C(O)=N\[C@@H]2CC[C@@H](O)CC2)cc1"
"5164","ZINC000100054543","ZINC100054543","A771726","C/C(O)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1"
"5165","ZINC000100054736","ZINC100054736","2-Hydroxyethinylestradiol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@]21C"
"5166","ZINC000100054741","ZINC100054741","2-Hydroxyethinylestradiol","C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@@]21C"
"5167","ZINC000100054746","ZINC100054746","3'-Demethyletoposide","COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@H]23)OCO4)cc(O)c1O"
"5168","ZINC000100054749","ZINC100054749","3'-Demethyletoposide","COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(O)c1O"
"5169","ZINC000100054755","ZINC100054755","3'-Demethyletoposide","COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(O)c1O"
"5170","ZINC000100054758","ZINC100054758","Omega-Hydroxyfinasteride","CC(C)(O)/N=C(\O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N=C(O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C"
"5171","ZINC000100054760","ZINC100054760","Omega-Hydroxyfinasteride","CC(C)(O)/N=C(\O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N=C(O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C"
"5172","ZINC000100054812","ZINC100054812","Triazolopyridinone Epoxide","O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1C=C[C@H]1O[C@H]21"
"5173","ZINC000100054813","ZINC100054813","Triazolopyridinone Epoxide","O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1C=C[C@@H]1O[C@@H]21"
"5174","ZINC000100054819","ZINC100054819","9'-Desmethylgranisetron","CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccccc13)C2"
"5175","ZINC000100054821","ZINC100054821","Arabinofuranosylguanine","Nc1nc(O)c2c(n1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)[CH]N2"
"5176","ZINC000100054826","ZINC100054826","S-Methylazathioprine","Cn1cnc([N+](=O)[O-])c1[S@@+](C)c1ncnc2[nH]cnc12"
"5177","ZINC000100054828","ZINC100054828","S-Methylazathioprine","Cn1cnc([N+](=O)[O-])c1[S@+](C)c1ncnc2[nH]cnc12"
"5178","ZINC000100054840","ZINC100054840","Beta-Noroxycodol","COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@H](C2)NCC[C@]314"
"5179","ZINC000100054849","ZINC100054849","Alpha-Oxycodol","COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@H](C2)N(C)CC[C@]314"
"5180","ZINC000100054856","ZINC100054856","Beta-Oxycodol","COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@@]4(O)[C@H](C2)N(C)CC[C@]314"
"5181","ZINC000100054860","ZINC100054860","Desbutyl-Lumefantrine","CCCCNC[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"
"5182","ZINC000100054862","ZINC100054862","Desbutyl-Lumefantrine","CCCCNC[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1"
"5183","ZINC000100054871","ZINC100054871"," ","C[C@H]1CC[C@@H]2[C@H](C)[C@H](O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@@]32OO4"
"5184","ZINC000100054873","ZINC100054873"," ","C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@]23[C@@H](O[C@H]1O)O4"
"5185","ZINC000100054877","ZINC100054877","3-Hydroxyguanfacine Glucuronide","N=C(N)/N=C(\O)Cc1c(Cl)c(O)cc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1Cl"
"5186","ZINC000100054890","ZINC100054890","5-Hydroxy Saxagliptin","N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@@](O)(C1)C[C@@](O)(C3)C2"
"5187","ZINC000100054893","ZINC100054893","5-Hydroxy Saxagliptin","N#C[C@H]1C[C@H]2C[C@H]2N1C(=O)[C@@H](N)C12CC3C[C@](O)(C1)C[C@](O)(C3)C2"
"5188","ZINC000100054975","ZINC100054975","Hydromorphone-3-Glucoside","CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5"
"5189","ZINC000100054977","ZINC100054977","Hydromorphone-3-Glucoside","CN1CC[C@]23c4c5ccc(O[C@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5"
"5190","ZINC000100055075","ZINC100055075"," ","CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](COC(=O)c1ccccc1)c1ccccc1)C2"
"5191","ZINC000100055077","ZINC100055077"," ","CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](COC(=O)c1ccccc1)c1ccccc1)C2"
"5192","ZINC000100055899","ZINC100055899","Tenofovir Alafenamide","CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1"
"5193","ZINC000100057533","ZINC100057533"," ","O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46"
"5194","ZINC000100061056","ZINC100061056"," ","CN1C=CC=C/C1=C/N=O"
"5195","ZINC000100067477","ZINC100067477","Alatrofloxacin","C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21"
"5196","ZINC000100068378","ZINC100068378"," ","CN1[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1C[C@@H]2O"
"5197","ZINC000100068871","ZINC100068871"," ","C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4"
"5198","ZINC000100070274","ZINC100070274"," ","Nc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@H](O)CC1"
"5199","ZINC000100070937","ZINC100070937"," ","N[C@@]1(C(=O)O)C[C@@H](F)C1"
"5200","ZINC000100070954","ZINC100070954"," ","CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@@H]3CC[C@H](C)CC3)cc2)C1=O"
"5201","ZINC000100071256","ZINC100071256"," ","NC[C@H]1CC[C@@H](C(=O)O)CC1"
"5202","ZINC000100073786","ZINC100073786"," ","CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C\c1ccc(/C=C2\C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1"
"5203","ZINC000100074252","ZINC100074252","Sofosbuvir","CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1"
"5204","ZINC000100076868","ZINC100076868","Alpha-Hexachlorocyclohexane","Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl"
"5205","ZINC000100089496","ZINC100089496","Levocabastine","C[C@@H]1CN([C@@H]2CC[C@@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1"
"5206","ZINC000100090021","ZINC100090021"," ","Cc1cc(=N)c2ccccc2n1CCCCCCCCCCn1c(C)cc(=N)c2ccccc21"
"5207","ZINC000100090728","ZINC100090728"," ","Nc1c(NC/C=C/COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O"
"5208","ZINC000100091724","ZINC100091724","Fluindione","O=C1c2ccccc2C(=O)C1c1ccc(F)cc1"
"5209","ZINC000100158533","ZINC100158533"," ","C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12"
"5210","ZINC000100199161","ZINC100199161"," ","C/C=C1/N(C)[C@H](C)CC1(c1ccccc1)c1ccccc1"
"5211","ZINC000100210150","ZINC100210150"," ","C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](N)(C3)C2"
"5212","ZINC000100218367","ZINC100218367"," ","CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2/C(=C/C=C3/C[C@@H](O)CC[C@H]3C)CCC[C@]21C"
"5213","ZINC000100229169","ZINC100229169","Fluindarol","O=C1c2ccccc2C(=O)C1c1ccc(C(F)(F)F)cc1"
"5214","ZINC000100229736","ZINC100229736"," ","CN1[C@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21"
"5215","ZINC000100242776","ZINC100242776","20-Dihydrodydrogesterone","C=C1C=C2C=C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4C(C)C)[C@@]2(C)CC1"
"5216","ZINC000100296828","ZINC100296828"," ","Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1"
"5217","ZINC000100296832","ZINC100296832"," ","Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1"
"5218","ZINC000100299039","ZINC100299039"," ","CN1CCCN=C1/C=C\c1cccs1"
"5219","ZINC000100299208","ZINC100299208"," ","C[C@@]12Cc3cn[nH]c3C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O"
"5220","ZINC000100299215","ZINC100299215"," ","C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5[nH]ncc5C[C@@]4(C)[C@@H]3CC[C@]21C"
"5221","ZINC000100299218","ZINC100299218"," ","C[C@@]12Cc3cn[nH]c3C[C@H]1CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12"
"5222","ZINC000100299221","ZINC100299221"," ","C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5[nH]ncc5C[C@@]4(C)[C@@H]3CC[C@]21C"
"5223","ZINC000100308851","ZINC100308851"," ","O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@@H]3[C@H]2N1Cc1ccccc1"
"5224","ZINC000100308855","ZINC100308855"," ","O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@H]3[C@H]2N1Cc1ccccc1"
"5225","ZINC000100308860","ZINC100308860"," ","O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@H]3[C@@H]2N1Cc1ccccc1"
"5226","ZINC000100353857","ZINC100353857"," ","CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3"
"5227","ZINC000100353864","ZINC100353864","Alpha-Arteether","CCO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3"
"5228","ZINC000100353889","ZINC100353889"," ","C=C(N)N[C@@H](CCC(=O)O)C(=O)O"
"5229","ZINC000100369359","ZINC100369359","Letermovir","COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1"
"5230","ZINC000100370145","ZINC100370145","Ecamsule","CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C/c1ccc(/C=C2/C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1"
"5231","ZINC000100371951","ZINC100371951","Romidepsin","C/C=C1\NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)CC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O"
"5232","ZINC000100371992","ZINC100371992"," ","O=C(O[C@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1"
"5233","ZINC000100378061","ZINC100378061","Naldemedine","CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1"
"5234","ZINC000100390602","ZINC100390602"," ","O=C1NC(=O)[C@](C2=C[C@@H]3O[C@H]3C=C2)(c2ccccc2)N1"
"5235","ZINC000100489810","ZINC100489810"," ","C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12"
"5236","ZINC000100734163","ZINC100734163"," ","C1=C/C(=C2\N=c3cnc4c(c3=N2)COCC4)NO1"
"5237","ZINC000100734829","ZINC100734829"," ","CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)C[C@@](C)(N)C1"
"5238","ZINC000100735958","ZINC100735958"," ","CCC(C)(C)[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12"
"5239","ZINC000100743496","ZINC100743496"," ","CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21"
"5240","ZINC000100907004","ZINC100907004"," ","CN(C)C(=O)N[C@@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1"
"5241","ZINC000101104601","ZINC101104601"," ","CC(C)(C)C(=O)OCOC(=O)[C@H]1N2C(=O)[C@@H](/N=C\N3CCCCCC3)[C@H]2SC1(C)C"
"5242","ZINC000101144764","ZINC101144764","Tiotropium","C[N+]1(C)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12"
"5243","ZINC000101160855","ZINC101160855"," ","Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1"
"5244","ZINC000101178759","ZINC101178759"," ","CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O"
"5245","ZINC000101210593","ZINC101210593"," ","COc1cc(Br)c(C[N+]2(CCOCC[C@H]3CC[C@H]4C[C@H]3C4(C)C)CCOCC2)cc1OC"
"5246","ZINC000101210596","ZINC101210596"," ","COc1cc(Br)c(C[N+]2(CCOCC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)CCOCC2)cc1OC"
"5247","ZINC000101489663","ZINC101489663"," ","CC(C)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1"
"5248","ZINC000101687674","ZINC101687674"," ","CC(C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O"
"5249","ZINC000101687676","ZINC101687676","Fusafungine","CC(C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O"
"5250","ZINC000101723567","ZINC101723567"," ","CC(C)[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1"
"5251","ZINC000102136963","ZINC102136963"," ","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O"
"5252","ZINC000102136971","ZINC102136971"," ","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O"
"5253","ZINC000102249909","ZINC102249909"," ","C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O"
"5254","ZINC000103105084","ZINC103105084","Dolasetron","O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12"
"5255","ZINC000103561250","ZINC103561250"," ","N=C1N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@]2(N1)[C@@H]4O)[C@]3(O)CO"
"5256","ZINC000103591880","ZINC103591880"," ","C=C1[C@H]([C@@H](C)O)[C@H]2SC([C@H]3CCCO3)=C(C(=O)O)N12"
"5257","ZINC000103592099","ZINC103592099"," ","CO[C@H]1C[C@]23C[C@H]([C@@](C)(O)C(C)(C)C)[C@@H]1[C@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5"
"5258","ZINC000103592703","ZINC103592703"," ","CN(C)[C@@H]1C(=O)/C(=C(/O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3[C@@](C)(O)[C@@H]12"
"5259","ZINC000103660515","ZINC103660515"," ","C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O"
"5260","ZINC000104344008","ZINC104344008"," ","O=C1CC[C@H](N2C(=O)C3=C[C@@H]4O[C@H]4C=C3C2=O)C(=O)N1"
"5261","ZINC000104375779","ZINC104375779"," ","O[C@@H]1[C@H]2CC[C@@](O)(N2)[C@H](O)[C@@H]1O"
"5262","ZINC000104387314","ZINC104387314"," ","C[C@H](C(=O)O)c1ccc(C(=O)C2=C[C@@H]3O[C@H]3S2)cc1"
"5263","ZINC000105121658","ZINC105121658"," ","C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@@H]3[C@H]1CC[C@@H]2O"
"5264","ZINC000106400715","ZINC106400715"," ","CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O"
"5265","ZINC000110344463","ZINC110344463","2-Hydroxyethinylestradiol","C#C[C@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)c(O)cc4[C@@H]3CC[C@@]21C"
"5266","ZINC000111460375","ZINC111460375"," ","CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C/c1ccc(/C=C2\C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1"
"5267","ZINC000113149554","ZINC113149554"," ","Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1"
"5268","ZINC000113632069","ZINC113632069"," ","CCCC[C@@H](CC)COC(=O)/C(C#N)=C(\c1ccccc1)c1ccc(OC)cc1"
"5269","ZINC000113632070","ZINC113632070"," ","CCCC[C@@H](CC)COC(=O)/C(C#N)=C(/c1ccccc1)c1ccc(OC)cc1"
"5270","ZINC000113632072","ZINC113632072"," ","CCCC[C@H](CC)COC(=O)/C(C#N)=C(\c1ccccc1)c1ccc(OC)cc1"
"5271","ZINC000113632074","ZINC113632074"," ","CCCC[C@H](CC)COC(=O)/C(C#N)=C(/c1ccccc1)c1ccc(OC)cc1"
"5272","ZINC000116473771","ZINC116473771"," ","O=C1C(O)=C([C@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21"
"5273","ZINC000118912393","ZINC118912393","Testosterone","C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O"
"5274","ZINC000118912450","ZINC118912450","Oxymetholone","C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O"
"5275","ZINC000118912516","ZINC118912516"," ","COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13"
"5276","ZINC000118912517","ZINC118912517","Fml","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C"
"5277","ZINC000118913164","ZINC118913164","Norethynodrel","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C"
"5278","ZINC000118913560","ZINC118913560","Dermatop","CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C"
"5279","ZINC000118913562","ZINC118913562","Dermatop","CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C"
"5280","ZINC000118913630","ZINC118913630"," ","CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1"
"5281","ZINC000118913648","ZINC118913648"," ","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H]2C[C@]3([C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)O2)[C@@H](C(=O)CO)CC[C@@H]13"
"5282","ZINC000118913649","ZINC118913649"," ","C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@@H]13)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O2"
"5283","ZINC000118913655","ZINC118913655"," ","C[C@]12CC[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@@H]13)[C@H](O)O2"
"5284","ZINC000118913657","ZINC118913657"," ","C[C@]12CC[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@@]3([C@@H](C(=O)CO)CC[C@@H]13)[C@H](O)O2"
"5285","ZINC000118913658","ZINC118913658"," ","CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"
"5286","ZINC000118913726","ZINC118913726"," ","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"5287","ZINC000118915214","ZINC118915214"," ","C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)C3)O[C@@H]2C)C[C@@H](O)[C@@H]1O"
"5288","ZINC000118915215","ZINC118915215"," ","C[C@H]1O[C@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)C3)O[C@@H]2C)C[C@@H](O)[C@@H]1O"
"5289","ZINC000118915216","ZINC118915216"," ","C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)C3)O[C@@H]2C)C[C@@H](O)[C@@H]1O"
"5290","ZINC000118915217","ZINC118915217"," ","C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@@]54O)C3)O[C@@H]2C)C[C@@H](O)[C@@H]1O"
"5291","ZINC000118915218","ZINC118915218"," ","C[C@]12C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@@H](O)CO"
"5292","ZINC000118915219","ZINC118915219"," ","C[C@]12C[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@@H](O)CO"
"5293","ZINC000118915220","ZINC118915220"," ","C[C@]12C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@@H](O)CO"
"5294","ZINC000118915221","ZINC118915221"," ","C[C@]12C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@@]2(O)[C@@H](O)CO"
"5295","ZINC000118915222","ZINC118915222","15beta-Hydroxycyproterone Acetate","CC(=O)O[C@]1(C(C)=O)C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"5296","ZINC000118915223","ZINC118915223","15beta-Hydroxycyproterone Acetate","CC(=O)O[C@]1(C(C)=O)C[C@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C"
"5297","ZINC000118915224","ZINC118915224","6-Beta-Hydroxymedroxyprogesterone","CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C"
"5298","ZINC000118915225","ZINC118915225","6beta-Hydroxybudesonide","CCC[C@@H]1O[C@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"5299","ZINC000118915226","ZINC118915226","6beta-Hydroxybudesonide","CCC[C@H]1O[C@H]2C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1"
"5300","ZINC000118915227","ZINC118915227"," ","C[C@]12CC[C@@H](S(=O)(=O)O)C[C@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1"
"5301","ZINC000118915228","ZINC118915228"," ","C[C@]12CC[C@@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1"
"5302","ZINC000118915229","ZINC118915229"," ","C[C@]12CC[C@H](S(=O)(=O)O)C[C@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1"
"5303","ZINC000118915230","ZINC118915230"," ","C[C@]12CC[C@H](S(=O)(=O)O)C[C@@H]1[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1"
"5304","ZINC000118915330","ZINC118915330"," ","C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"
"5305","ZINC000118915331","ZINC118915331"," ","C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"
"5306","ZINC000118915332","ZINC118915332"," ","C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"
"5307","ZINC000118915333","ZINC118915333"," ","C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C"
"5308","ZINC000118915334","ZINC118915334"," ","C[C@]12CC[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@@H]13"
"5309","ZINC000118915335","ZINC118915335"," ","C[C@]12CC[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3([C@@H](O)O2)[C@@H](C(=O)CO)CC[C@@H]13"
"5310","ZINC000118915336","ZINC118915336"," ","C/C(=C\CC[C@H](C)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35[C@@H](O)C[C@]12C)C(=O)O"
"5311","ZINC000118915337","ZINC118915337"," ","C/C(=C\CC[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35[C@@H](O)C[C@]12C)C(=O)O"
"5312","ZINC000118915338","ZINC118915338"," ","C/C(=C\CC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35[C@@H](O)C[C@]12C)C(=O)O"
"5313","ZINC000118915339","ZINC118915339"," ","C/C(=C\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@]35[C@@H](O)C[C@]12C)C(=O)O"
"5314","ZINC000118915340","ZINC118915340"," ","C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]34C)[C@@H]1CCC2=O"
"5315","ZINC000118915341","ZINC118915341"," ","C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"5316","ZINC000118915342","ZINC118915342"," ","C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]34C)[C@@H]1CCC2=O"
"5317","ZINC000118915343","ZINC118915343"," ","C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@@H]1CCC2=O"
"5318","ZINC000118915344","ZINC118915344"," ","CCS[C@]1(SC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C"
"5319","ZINC000135848905","ZINC135848905","Fusafungine","CC(C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O"
"5320","ZINC000137375210","ZINC137375210"," ","COC1=C(OC)C(=O)C(CCCCCCCCCCCCO)=C(C)C1=O"
"5321","ZINC000137804425","ZINC137804425"," ","CCN(CC)C(=O)[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1OC(C)=O"
"5322","ZINC000145401681","ZINC145401681"," ","CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1"
"5323","ZINC000145808877","ZINC145808877"," ","CNc1ccc(/C=C\c2ccc(OCCOCCOCCF)nc2)cc1"
"5324","ZINC000146708406","ZINC146708406"," ","NC[C@H]1CC[C@@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1"
"5325","ZINC000147175374","ZINC147175374"," ","N[C@@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21"
"5326","ZINC000148723177","ZINC148723177"," ","COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1"
"5327","ZINC000150307441","ZINC150307441"," ","O[C@H]1[C@H](O)[C@H]2CC[C@@](O)(N2)[C@@H]1O"
"5328","ZINC000150338506","ZINC150338506","Inositol Niacinate","O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1"
"5329","ZINC000150338698","ZINC150338698","Capastat","NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)/C(=C\NC(N)=O)NC1=O"
"5330","ZINC000150338699","ZINC150338699","Visudyne","C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC"
"5331","ZINC000150338703","ZINC150338703","Carbetocin","CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"
"5332","ZINC000150338708","ZINC150338708","Ecteinascidin","COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4"
"5333","ZINC000150338755","ZINC150338755","Venetoclax","CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1"
"5334","ZINC000150338767","ZINC150338767","Thyroxine Glucuronide","N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O"
"5335","ZINC000150338771","ZINC150338771","Thyroxine Glucuronide","N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(I)c2)c(I)c1)C(=O)O"
"5336","ZINC000150338819","ZINC150338819","Ledipasvir","COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C"
"5337","ZINC000150338894","ZINC150338894","Carbamazepine-O-Quinone","N=C(O)n1c2cc(=O)c(=O)cc-2ccc2ccccc21"
"5338","ZINC000150338908","ZINC150338908","N-Trifluoroacetyladriamycinol","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](O)CO)C[C@H]3O[C@@H]1C[C@@H](/N=C(\O)C(F)(F)F)[C@@H](O)[C@@H](C)O1"
"5339","ZINC000150338912","ZINC150338912","N-Trifluoroacetyladriamycinol","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@H]3O[C@@H]1C[C@@H](/N=C(\O)C(F)(F)F)[C@@H](O)[C@@H](C)O1"
"5340","ZINC000150339050","ZINC150339050"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1cccc2ccccc12)C[C@@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1"
"5341","ZINC000150339052","ZINC150339052"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1cccc2ccccc12)C[C@@H]3O[C@@H]1C[C@H](N)[C@@H](O)[C@@H](C)O1"
"5342","ZINC000150339055","ZINC150339055"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)Cc1cccc2ccccc12)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@@H](C)O1"
"5343","ZINC000150339320","ZINC150339320"," ","C[C@@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"5344","ZINC000150339323","ZINC150339323","Iohexol","CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"5345","ZINC000150339325","ZINC150339325"," ","C[C@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"5346","ZINC000150339328","ZINC150339328"," ","C[C@@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"5347","ZINC000150339331","ZINC150339331"," ","C[C@H](O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O"
"5348","ZINC000150339412","ZINC150339412","Iobitridol","CN(C[C@H](O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I"
"5349","ZINC000150339413","ZINC150339413","Iobitridol","CN(C[C@@H](O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I"
"5350","ZINC000150339603","ZINC150339603","Iopentol","COC[C@@H](O)CN(C(C)=O)c1c(I)c(/C(O)=N\C[C@@H](O)CO)c(I)c(/C(O)=N\C[C@@H](O)CO)c1I"
"5351","ZINC000150340074","ZINC150340074"," ","CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC"
"5352","ZINC000150340720","ZINC150340720"," ","COC[C@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I"
"5353","ZINC000150340729","ZINC150340729","Iopentol","COC[C@H](O)CN(C(C)=O)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I"
"5354","ZINC000150347080","ZINC150347080"," ","C=C[C@@H]1C[C@]1(NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)cc1)C(=O)NS(=O)(=O)c1ccccc1"
"5355","ZINC000150369722","ZINC150369722","Iopentol","COC[C@H](O)CN(C(C)=O)c1c(I)c(/C(O)=N/C[C@@H](O)CO)c(I)c(/C(O)=N/C[C@@H](O)CO)c1I"
"5356","ZINC000150374443","ZINC150374443"," ","C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O"
"5357","ZINC000150374455","ZINC150374455"," ","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"5358","ZINC000150374458","ZINC150374458"," ","C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O"
"5359","ZINC000150485244","ZINC150485244"," ","CC(=O)Nc1c(I)c(C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c(I)c(N(C)C(C)=O)c1I"
"5360","ZINC000150588351","ZINC150588351","Elbasvir","COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C"
"5361","ZINC000150601177","ZINC150601177","Ombitasvir","COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C"
"5362","ZINC000163535243","ZINC163535243"," ","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"5363","ZINC000164528615","ZINC164528615"," ","CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O"
"5364","ZINC000164760756","ZINC164760756","Olysio","COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C"
"5365","ZINC000164760874","ZINC164760874","Olysio","COc1ccc2c(O[C@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C"
"5366","ZINC000169289386","ZINC169289386","Saralasin","CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C"
"5367","ZINC000169289388","ZINC169289388"," ","CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"
"5368","ZINC000169289411","ZINC169289411","Tacrolimus","C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"
"5369","ZINC000169289419","ZINC169289419"," ","CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O"
"5370","ZINC000169289767","ZINC169289767","Trypan Blue","Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O"
"5371","ZINC000169291448","ZINC169291448","Enviomycin","N=C1NCC[C@H]([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)[C@H](O)CCN)CNC2=O)N1"
"5372","ZINC000169294173","ZINC169294173"," ","Oc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)NCC[C@]314"
"5373","ZINC000169304823","ZINC169304823"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@@H]([C@H]2C)[C@]1(C)O"
"5374","ZINC000169307271","ZINC169307271","Troleandomycin","CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O"
"5375","ZINC000169339296","ZINC169339296","Nordihydroisomorphine","CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@H]3[C@H]1C5"
"5376","ZINC000169344691","ZINC169344691","Eribulin","C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC"
"5377","ZINC000169356261","ZINC169356261","Pimecrolimus","CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC"
"5378","ZINC000169362009","ZINC169362009","Atosiban","CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1"
"5379","ZINC000169368439","ZINC169368439"," ","CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C"
"5380","ZINC000169369935","ZINC169369935"," ","CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccc(O)cc3)C(C)=C1C2(C)C"
"5381","ZINC000169621195","ZINC169621195"," ","CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O"
"5382","ZINC000169621196","ZINC169621196"," ","CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"5383","ZINC000169621197","ZINC169621197"," ","CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O"
"5384","ZINC000169621200","ZINC169621200"," ","CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"5385","ZINC000169621209","ZINC169621209"," ","C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC"
"5386","ZINC000169621210","ZINC169621210"," ","C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC"
"5387","ZINC000169621213","ZINC169621213"," ","NC1=N[C@H](O)[C@H]2[C@@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@]2(N1)[C@@H]4O)[C@]3(O)CO"
"5388","ZINC000169621214","ZINC169621214"," ","NC1=N[C@H](O)[C@H]2[C@@H]3O[C@@]4(O)O[C@@H]([C@@H](O)[C@]2(N1)[C@@H]4O)[C@]3(O)CO"
"5389","ZINC000169621215","ZINC169621215"," ","CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O"
"5390","ZINC000169621217","ZINC169621217"," ","NC1=N[C@H](O)[C@H]2[C@H]3O[C@@]4(O)O[C@@H]([C@@H](O)[C@]2(N1)[C@@H]4O)[C@]3(O)CO"
"5391","ZINC000169621219","ZINC169621219"," ","C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC"
"5392","ZINC000169621220","ZINC169621220"," ","C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O"
"5393","ZINC000169621223","ZINC169621223"," ","CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"5394","ZINC000169621228","ZINC169621228"," ","CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"5395","ZINC000169621230","ZINC169621230"," ","CO[C@H]1C[C@H]2CC[C@H](C)[C@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/1C"
"5396","ZINC000169621231","ZINC169621231"," ","CO[C@H]1C[C@H]2CC[C@H](C)[C@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@@H]([C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/1C"
"5397","ZINC000169654603","ZINC169654603"," ","CO[C@@H]1C(=O)CC[C@]2(CO2)[C@]1(O)[C@]1(C)O[C@H]1CC=C(C)C"
"5398","ZINC000169677008","ZINC169677008"," ","CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C"
"5399","ZINC000169743072","ZINC169743072","Dimethicone","C[Si](C)(C)O[Si](C)(C)C"
"5400","ZINC000169743678","ZINC169743678"," ","C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1"
"5401","ZINC000169746603","ZINC169746603"," ","CCOC(=O)C1=CC2=C3N4C(=CC5=NC(=Cc6c(CC)c(C)c(n6[Sn]4(Cl)Cl)C=C4N=C2C(C)=C4CC)C(C)=C5CC)[C@H](C)[C@@]13CC"
"5402","ZINC000169746649","ZINC169746649","Velcade","CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"
"5403","ZINC000169748244","ZINC169748244"," ","N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1"
"5404","ZINC000169761981","ZINC169761981"," ","C[B-](O/N=C1\CCCC\C1=N/O)(O/N=C1\CCCC\C1=N/O)O/N=C1\CCCC\C1=N/O"
"5405","ZINC000169946773","ZINC169946773"," ","CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O"
"5406","ZINC000169987861","ZINC169987861"," ","CCOC(=O)C1=CC2=C3N4C(=CC5=NC(=Cc6c(CC)c(C)c(n6[Sn]4(Cl)Cl)C=C4N=C2C(C)=C4CC)C(C)=C5CC)[C@H](C)[C@]13CC"
"5407","ZINC000169990691","ZINC169990691","Tavaborole","OB1OCc2cc(F)ccc21"
"5408","ZINC000170164534","ZINC170164534"," ","Cc1cc(C[C@@H](C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1"
"5409","ZINC000170164537","ZINC170164537"," ","Cc1cc(C[C@H](C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1"
"5410","ZINC000195282482","ZINC195282482"," ","CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O"
"5411","ZINC000195761836","ZINC195761836"," ","CCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)O)cc1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O"
"5412","ZINC000195767087","ZINC195767087"," ","CO[Si](C)(C)O[Si](C)(C)C"
"5413","ZINC000195835734","ZINC195835734"," ","CCOC(=O)C1=CC2=C3N=C(C=c4c(CC)c(C)c5n4[Sn](Cl)(Cl)n4c(c(CC)c(C)c42)C=C2N=C(C=5)C(CC)=C2C)[C@@H](C)[C@@]13CC"
"5414","ZINC000196037206","ZINC196037206"," ","O=S(=O)(O)OC[C@H]1O[C@@H](O[C@@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"
"5415","ZINC000196037215","ZINC196037215"," ","O=S(=O)(O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O"
"5416","ZINC000197178353","ZINC197178353"," ","CCOC(=O)C1=CC2=C3N4C(=CC5=NC(=Cc6c(CC)c(C)c(n6[Sn]4(Cl)Cl)C=C4N=C2C(C)=C4CC)C(C)=C5CC)[C@@H](C)[C@]13CC"
"5417","ZINC000198970879","ZINC198970879"," ","C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1"
"5418","ZINC000199509587","ZINC199509587"," ","Cc1nc(COP(=O)(O)O)cc(CN(CCN(CC(=O)O)Cc2cc(COP(=O)(O)O)nc(C)c2O)CC(=O)O)c1O"
"5419","ZINC000199517773","ZINC199517773"," ","O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1"
"5420","ZINC000200297616","ZINC200297616"," ","C=CCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC"
"5421","ZINC000201075193","ZINC201075193"," ","OCCN1CCN(CC/C=C2\c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]23)CC1"
"5422","ZINC000201075230","ZINC201075230"," ","OCCN1CCN(CC/C=C2\c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]23)CC1"
"5423","ZINC000203686879","ZINC203686879"," ","COC[C@H]1C[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)nc65)cc3-4)[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1"
"5424","ZINC000203757351","ZINC203757351"," ","Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1"
"5425","ZINC000204073689","ZINC204073689"," ","CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C\c1ccc(-c2cccc(F)c2)cn1"
"5426","ZINC000205224698","ZINC205224698"," ","Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1"
"5427","ZINC000208774715","ZINC208774715"," ","CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12"
"5428","ZINC000212549525","ZINC212549525"," ","CCN[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1"
"5429","ZINC000212549609","ZINC212549609"," ","CCN[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1"
"5430","ZINC000215581115","ZINC215581115"," ","CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@@H]1OCCO"
"5431","ZINC000215581164","ZINC215581164"," ","CCCCCCCCCCCC(=O)OCCOC[C@H](OCCO)[C@@H]1OC[C@H](OCCO)[C@H]1OCCO"
"5432","ZINC000218037687","ZINC218037687"," ","CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(F)F)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O"
"5433","ZINC000219077158","ZINC219077158"," ","COCCOCCCCCC(=O)NCCCC[C@H](N)C(=O)O"
"5434","ZINC000221408371","ZINC221408371","6alpha-Hydroxy-Hydromorphone","CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5"
"5435","ZINC000222731806","ZINC222731806"," ","CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1"
"5436","ZINC000224657532","ZINC224657532"," ","O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2"
"5437","ZINC000229983969","ZINC229983969","2-Ene-Valproic Acid Coa","CC/C=C(\CCC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5438","ZINC000229984031","ZINC229984031","3-Oxo-Valproic Acid Coa","CCC[C@@H](C(=O)CC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5439","ZINC000229984054","ZINC229984054","4-Ene-Valproic Acid Coa","C=CC[C@H](CCC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5440","ZINC000229984288","ZINC229984288","Valproic Acid Coa","CCCC(CCC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5441","ZINC000230061301","ZINC230061301","Tafluprost Free Acid","O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1"
"5442","ZINC000230122748","ZINC230122748","3-Oxo-Valproic Acid Coa","CCC[C@H](C(=O)CC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5443","ZINC000230122947","ZINC230122947","Hydromorphone-3-Sulphate","CN1CC[C@@]23c4c5ccc(OS(=O)(=O)O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5"
"5444","ZINC000230122970","ZINC230122970","Id14326","O=C1[C@@H]2[C@@H](C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c3nsc4ccccc34)CC1)[C@H]1CC[C@H]2C1O"
"5445","ZINC000230123065","ZINC230123065","Valproic Acid Coa","CCCC(CCC)C(=O)SCC/N=C(\O)CC/N=C(\O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O"
"5446","ZINC000230123380","ZINC230123380","17-Alpha-Ethinyl Estradiol","C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C"
"5447","ZINC000238730523","ZINC238730523"," ","CO[C@H]1C[C@]23C[C@H]([C@@](C)(O)C(C)(C)C)[C@@H]1[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5"
"5448","ZINC000238730524","ZINC238730524"," ","O=C(O)[C@@H]1O[C@@H](O[C@H]2[C@@H](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O"
"5449","ZINC000238730525","ZINC238730525"," ","O=C(O)[C@H]1O[C@@H](O[C@H]2[C@@H](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O"
"5450","ZINC000238730526","ZINC238730526"," ","O=C(O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O"
"5451","ZINC000238730527","ZINC238730527"," ","O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]2O)[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O"
"5452","ZINC000238730528","ZINC238730528"," ","CN(C)[C@@H]1C(=O)/C(=C(/O)NCNCCCC[C@@H](N)C(=O)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3[C@@](C)(O)[C@@H]12"
"5453","ZINC000238730529","ZINC238730529"," ","CN(C)[C@H]1C(=O)/C(=C(/O)NCNCCCC[C@@H](N)C(=O)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3[C@@](C)(O)[C@@H]12"
"5454","ZINC000238730530","ZINC238730530"," ","CN(C)[C@H]1C(=O)/C(=C(/O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3[C@@](C)(O)[C@@H]12"
"5455","ZINC000238730560","ZINC238730560"," ","CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"5456","ZINC000238730561","ZINC238730561"," ","CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O"
"5457","ZINC000238809066","ZINC238809066"," ","NS(=O)(=O)O"
"5458","ZINC000238809420","ZINC238809420"," ","C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC"
"5459","ZINC000238809655","ZINC238809655"," ","CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C"
"5460","ZINC000238809662","ZINC238809662"," ","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"5461","ZINC000238809663","ZINC238809663"," ","COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"5462","ZINC000238809664","ZINC238809664"," ","COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"5463","ZINC000238809665","ZINC238809665"," ","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC"
"5464","ZINC000238850852","ZINC238850852"," ","N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"
"5465","ZINC000238850853","ZINC238850853"," ","N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O"
"5466","ZINC000238850854","ZINC238850854"," ","N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O"
"5467","ZINC000238850855","ZINC238850855"," ","N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O"
"5468","ZINC000239165117","ZINC239165117"," ","NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@@H](N)C[C@@H]1O"
"5469","ZINC000239165118","ZINC239165118"," ","NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@H](N)C[C@@H]1O"
"5470","ZINC000239165119","ZINC239165119"," ","NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@H](N)C[C@H]1O"
"5471","ZINC000239165120","ZINC239165120"," ","NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@@H]3O)[C@@H]2O)[C@@H](N)C[C@H]1O"
"5472","ZINC000239173596","ZINC239173596"," ","CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@](C)(O)[C@@H]3C[C@H]12"
"5473","ZINC000242437511","ZINC242437511"," ","CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@@H]2O)O1"
"5474","ZINC000242437512","ZINC242437512"," ","CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@@H](N)C[C@H]2N)O1"
"5475","ZINC000242437513","ZINC242437513"," ","CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@@H]2O)O1"
"5476","ZINC000242437514","ZINC242437514"," ","CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@@H](N)C[C@H]2N)O1"
"5477","ZINC000242463989","ZINC242463989"," ","O[Cl+3](O)(O)O"
"5478","ZINC000242522150","ZINC242522150"," ","O=[Si](O)O"
"5479","ZINC000242548690","ZINC242548690"," ","C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O"
"5480","ZINC000242648948","ZINC242648948"," ","O[Si](O)(O)O"
"5481","ZINC000242649149","ZINC242649149"," ","C[N@@+]1([O-])CCC[C@H]1c1cccnc1"
"5482","ZINC000242649151","ZINC242649151"," ","C[N@+]1([O-])CCC[C@H]1c1cccnc1"
"5483","ZINC000242649153","ZINC242649153"," ","C[N@+]1([O-])CCC[C@@H]1c1cccnc1"
"5484","ZINC000242649207","ZINC242649207"," ","C[N@@+]1([O-])CCC[C@@H]1c1cccnc1"
"5485","ZINC000242701441","ZINC242701441"," ","N=C(N)NN=Cc1c(Cl)cccc1Cl"
"5486","ZINC000242723018","ZINC242723018"," ","CCCC[N@@+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21"
"5487","ZINC000242723020","ZINC242723020"," ","CCCC[N@+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21"
"5488","ZINC000245189278","ZINC245189278"," ","OB(O)O"
"5489","ZINC000245190610","ZINC245190610"," ","C[C@H]1O[C@@H](O[C@H]2/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H](O)[C@@H](O)CC(=O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C2)[C@@H](O)[C@@H](N)[C@@H]1O"
"5490","ZINC000245190611","ZINC245190611"," ","C[C@@H]1[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H](O)[C@@H](O)CC(=O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](C)[C@H]1O"
"5491","ZINC000245190612","ZINC245190612"," ","C[C@@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H]1O"
"5492","ZINC000245190613","ZINC245190613"," ","C[C@H]1[C@@H](O)[C@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@@H]1C"
"5493","ZINC000245204645","ZINC245204645"," ","CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C"
"5494","ZINC000245204647","ZINC245204647"," ","CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C"
"5495","ZINC000245204924","ZINC245204924"," ","Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl"
"5496","ZINC000245204943","ZINC245204943"," ","COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@@H]13"
"5497","ZINC000245204948","ZINC245204948"," ","C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"
"5498","ZINC000245204949","ZINC245204949"," ","C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5"
"5499","ZINC000245224178","ZINC245224178"," ","CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O"
"5500","ZINC000245224194","ZINC245224194"," ","FS(F)(F)(F)(F)F"
"5501","ZINC000245224599","ZINC245224599"," ","CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O"
"5502","ZINC000247316127","ZINC247316127"," ","O[Si](O)(O)O[Si](O)(O)O"
"5503","ZINC000247444468","ZINC247444468"," ","[O-][N@+]1(Cc2ccccc2Cl)CCc2sccc2C1"
"5504","ZINC000247444471","ZINC247444471"," ","[O-][N@@+]1(Cc2ccccc2Cl)CCc2sccc2C1"
"5505","ZINC000247651495","ZINC247651495"," ","O=[Si](O)O[Si](O)(O)O[Si](=O)O"
"5506","ZINC000247910383","ZINC247910383"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"5507","ZINC000247910399","ZINC247910399"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"5508","ZINC000247910405","ZINC247910405"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"5509","ZINC000247910418","ZINC247910418"," ","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O"
"5510","ZINC000248022807","ZINC248022807"," ","C[N@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@@H]2C1"
"5511","ZINC000248022819","ZINC248022819"," ","C[N@@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@@H]2C1"
"5512","ZINC000248022822","ZINC248022822"," ","C[N@@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@H]2C1"
"5513","ZINC000248022825","ZINC248022825"," ","C[N@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@H]2C1"
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"5518","ZINC000248065211","ZINC248065211"," ","C[N@+]1([O-])CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"
"5519","ZINC000248065217","ZINC248065217"," ","C[N@@+]1([O-])CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12"
"5520","ZINC000248317782","ZINC248317782"," ","CCOC(=O)[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C"
"5521","ZINC000248317783","ZINC248317783"," ","CCOC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C"
"5522","ZINC000250090469","ZINC250090469"," ","O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1"
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"5890","ZINC000410428642","ZINC410428642"," ","CCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C"
"5891","ZINC000410428643","ZINC410428643"," ","CCOC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@H]2CC[C@H]1N2C"
"5892","ZINC000410428644","ZINC410428644"," ","CCC[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O)[C@@H](O)CC"
"5893","ZINC000410428645","ZINC410428645"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@H](O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O1"
"5894","ZINC000410428646","ZINC410428646"," ","COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@H](O)CO)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1"
"5895","ZINC000410428673","ZINC410428673"," ","N=C1NCC[C@H]([C@@H]2NC(=O)/C(=C\NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)[C@H](O)CCN)CNC2=O)N1"
"5896","ZINC000410428674","ZINC410428674"," ","C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC"
"5897","ZINC000685933067","ZINC685933067"," ","CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O"
"5898","ZINC000685933136","ZINC685933136"," ","Cc1ccc(NC(O)=C2C=C[C](CN3CC[N+](C)([O-])CC3)C=C2)cc1Nc1nccc(-c2cccnc2)n1"
"5899","ZINC000685933137","ZINC685933137"," ","CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"5900","ZINC000685933138","ZINC685933138"," ","CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C"
"5901","ZINC000885764928","ZINC885764928"," ","Cc1cnc(C(=O)N[C@H]2CCCCCC=C[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1"
"5902","ZINC000936069425","ZINC936069425"," ","COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O"
"5903","ZINC000936069565","ZINC936069565"," ","CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OCC=CC(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O"