Compound,SMILES
C00817625,s1cccc1CNC(=O)Cn1cc(c2c1cccc2)C(=O)c1ccccc1F
C05069328,S(CC(=O)NC(C)C)c1nc(cc(C(F)(F)F)c1C#N)-c1ccc(cc1)C
C05100287,Clc1cc(Cl)ccc1C(P(OCC)(=O)c1ccc(N(C)C)cc1)O
C05567128,Brc1ccc(NC(=O)CSc2sc(SCC)nn2)cc1
C01924814,Brc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)C)c(OCC)cc1
C02768836,Brc1cc(\C=C(\C(=O)NCCc2ccccc2)/C#N)c(OC)cc1
C07326053,Clc1cc(NC(=S)N(CC2Oc3c(OC2)cccc3)CC)cc(Cl)c1
C04825800,Brc1ccc(cc1)CSCC(=O)NCc1cc2OCOc2cc1
C09925977,s1cccc1CN1c2c(cccc2)C(O)(CC(=O)c2ccc(cc2)CC)C1=O
C10535948,Clc1cc(NC(=O)C(Sc2ncc(cc2)C(F)(F)F)C)ccc1OC
C12981622,FC(F)(F)c1ccc(cc1)CC(=O)NC(C(C)C)c1cc2OCCOc2cc1
C13670962,Clc1ccc(Cl)cc1S(=O)(=O)NCCCN1CCc2c1cccc2
C16888643,Brc1cc2c(n(cc2CC(NC(=O)c2occc2)C)CC=C)cc1
C12383707,Clc1ccc(cc1)C(C(O)(C)c1ccc(OC)cc1)CN1CCOCC1
C22614518,Clc1ccc(cc1)CNC(=O)C(Sc1nc(ccn1)C(F)(F)F)C
C22770279,Brc1cc(CNCc2cc3OCOc3cc2)c(OC(F)F)cc1
C23211906,Clc1cc(N2CCN(CC2)CC(O)COc2ccc(Cl)cc2)ccc1
C23633458,Clc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2F)cc1C
C24635452,Fc1cccc(F)c1C(=O)NC(C(C)C)C(=O)N(Cc1ccc(cc1)C)C
C26504802,Brc1ccc(OCc2sc(nn2)NCc2ccccc2)cc1
C32809983,Clc1cc(cnc1NCCN1CCN(CC1)c1ccccc1)C(F)(F)F
C36020447,Fc1ccccc1N1CCN(CC1)CC(O)COC1CC(CC(C1)C)(C)C
C01399261,Clc1cc(F)ccc1OCC(O)CS(=O)(=O)c1ccc(cc1C)C
C02171002,Brc1cc(cnc1)C(=O)NCCOc1cc(ccc1C(C)C)C
C39525120,S(C(C(=O)NCc1ccc(cc1)C)C)c1nc(cc(C(F)(F)F)c1C#N)C
C09160451,Clc1cc(cnc1SC(C(=O)NC(C(C)C)(C#N)C)C)C(F)(F)F
C39620153,Clc1ccc(S(=O)(=O)CC(=O)NC(C)c2ccc(cc2)C(C)C)cc1
C39852297,s1cccc1-c1n(nc(c1)C(F)(F)F)-c1ccc(cc1)C(=O)NCC=C
C12939470,Brc1ccc(cc1)C(NC(=O)c1cc(OC)c(OC(C)C)cc1)C
C41474428,Brc1cc2c(nc(cc2NCCCN2CCN(CC2)CC)C)cc1
C42990543,s1c(SC(C(C)C)C(=O)Nc2cc(F)c(F)cc2)nnc1SC
C42990666,s1c(SC(C(C)C)C(=O)Nc2ccc(F)c(F)c2F)nnc1SC
C48444113,Brc1ccsc1S(=O)(=O)NC(CC)c1ccc(OC)cc1
C50142429,S(=O)(=O)(C(C)c1ccccc1F)C(C(=O)Nc1ccccc1C(C)C)C
C51318570,Brc1cc(F)c(N\C=C\C(=O)c2cc(OC)ccc2OC)cc1
C52612891,S(=O)(=O)(C(C(=O)NC(C)c1ccc(F)cc1)C)c1ccc(cc1)C(C)C
C55326882,Fc1ccc(cc1)C1(CCOC1)CNCc1cnc(nc1)-c1cc(ccc1)C
C56965747,Fc1ccc(N2CCN(CC2)CCNC(=O)c2ccc(cc2)C(F)(F)F)cc1
C32896540,Clc1ccc(cc1)CSCC(=O)Nc1ccc(N2CCN(CC2)C)cc1
C51085808,FC(F)(F)c1ccc(cc1)C(O)CN1CCN(CC1)c1ccccc1OC
C53287008,Brc1cc(C)c(SCC(=O)N(CC(=O)NC(C)(C)C)C)cc1
C62125712,Clc1cc(S(=O)(=O)NCc2sc(Cc3ccccc3)c(n2)C)ccc1
C66434929,Clc1cc(NC(=O)C(N2CCN(CC2)CCc2sccc2)C)c(F)cc1
C66904270,Clc1cc(ccc1)-c1oc(nc1)CSCc1ccc(cc1)C(=O)NC
C67996623,Fc1cc2n(cnc2cc1F)CC(O)COc1cc(ccc1)C(F)(F)F
C68272362,Clc1c2c(sc1C(=O)NCCCCN1C(=CC=CC1=O)C)cccc2
C44643883,Clc1sc(cc1)CS(=O)(=O)C(C(=O)Nc1ccccc1C(C)C)C
C70991670,Brc1cc(F)ccc1OC(C(=O)NC(C(C)C)c1ccncc1)C
C74031319,Clc1cc(Cl)ccc1C1(CCOCC1)C(=O)NCC(OC)C(C)C
C24049347,Brc1ccc(cc1)C(NC(=O)Cc1cc(ccc1OC)C(=O)C)C
C02689242,O(C)c1cc(ccc1OC)C=1NC(=O)N(C=1)c1ccc(OCC)cc1
C00794785,Clc1cc(OC)c(NC(=O)CSc2nccn2C)cc1OC
C02191242,Clc1ccc(S(=O)(=O)Nc2sc(nn2)COCC)cc1
C12766211,O(CC(O)CN1N=C(C)C(C)=C(C#N)C1=O)c1ccccc1C(C)C
C21536960,O(C)c1cc(ccc1OC)CNC1=NC=CN(C1=O)c1ccccc1
C23008400,o1nc(nc1-c1ccc(cc1)C(=O)NCCN(C)c1ccccc1)C
C24001900,O(C)c1cc(cc(CN2CCN(CC2)c2ncccn2)c1O)CC=C
C25248811,O(C)c1ccc(cc1CCNC(=O)c1ccc(nc1)-n1ccnc1)C
C25578360,s1c(nnc1NC(=O)c1cn(nc1)-c1ccccc1)C(CC)CC
C36112237,S(=O)(=O)(NC(CC(C)C)c1oc(nn1)C)c1cc(C)c(cc1)C
C08691965,O(C(C)C)c1ccc(cc1OC)\C=C(\C(=O)Nc1cccnc1)/C#N
C49735438,S1c2n(N=C1CCNC(=O)CC(C)(C)C)c(nn2)C(F)(F)F
C48124172,FC(F)Oc1cc(ccc1OC)C(=O)NC(C)c1cnn(C)c1C
C58502983,O(CC)c1ncccc1NC(=O)\C=C\c1ccc(-n2ccnc2)cc1
C39777359,S1CC(=NN=C1NC(C)(C)C)C1=C(C(OCC)=O)C(N=C1C)C
C65375948,o1c(ccc1CO)-c1n(cnc1-c1ccccc1)CCC=1CN=NC=1
C66256276,S(Cc1nc2cc(F)ccc2n1CC)c1nnc(O)n1CCC
C66667431,s1c(nnc1NC(=O)N(Cc1scnc1C)C)C(CC)CC
C66697395,O(C)c1c(OC)cc(NCC(=O)N2CC(CC(C2)C)C)cc1OC
C66758210,FC(F)(F)CNC(=O)c1nnn(c1C)-c1ccc(OC(C)C)cc1
C66935308,Clc1cc(S(=O)(=O)NCCCc2onc(n2)C)ccc1F
C67695613,[nH]1c2c(nc1)C(N(CC2)Cc1ncnn1CC)CCc1ccccc1
C67885061,s1c(nnc1SCCCn1nnc(c1)-c1cc(O)ccc1)C
C71879172,Clc1cc(Cl)ccc1-c1oc(nn1)CNCCn1nccc1
C71888078,S(C(C(C)C)C(=O)Nc1cc(-n2nnnc2C)ccc1F)CC
C73061510,O(CC1CCCN(C1)C(=O)NCC1(CCCC1)C(=O)N(C)C)CC
C28105859,FC(F)(F)C=1C=CC(=O)N(C=1)CC(=O)Nc1n(ncc1)CC(C)C
C25286984,S(CC(=O)Nc1cc(ccc1)-c1nncn1CC)c1ccncc1
C73739087,o1c(ccc1CCC(=O)Nc1cc(-n2cnnc2)ccc1)C1CC1C
C73826151,Clc1cc(cc(NC(=O)C(N2CCCC2=O)CC)c1)C(OC)=O
C13598602,S=C(NCC1ON=C(C1)c1ccc(OC)cc1)N1CCOCC1
C74414513,O1CCC(CC1)C(NC(=O)C1CCN(C1)C(OC(C)(C)C)=O)CC
C74610024,Fc1cc(OC)c(OC)cc1C(NC(=O)c1c(noc1C)CC)C
C74655087,O=C(N(C(C)c1ccncc1)C)NCC(CN1CCN(CC1)C)C
C74655091,O=C(N(C(C)c1ccncc1)C)NCC(CN1CCN(CC1)C)C
C74831272,S1C=C(n2c1nnc2)CCNS(=O)(=O)Cc1cc(ccc1)C
C75327909,O(C)c1cc(ccc1)COC(C(=O)Nc1cc2ncn(c2cc1)C)C
C75767512,o1c(nnc1CN(CC(O)C)c1ccccc1)-c1ccc(cc1)C#N
C75850924,o1nc(C)c(C(=O)NCC(N2CCN(CC2)C)C(C)C)c1C(C)C
C75963586,Fc1ccc(cc1)-c1nc(on1)CN1CCN(CC1)C(CC)CO
C76401354,o1c2c(cc1CNCc1ccc(-n3ncnc3)cc1)cccc2OC
C76652208,O(C(=O)C(NC(=O)C(C)(C)C)C)c1cc(ccc1C)C(=O)N(C)C
C77370995,O1CC(N(CC(=O)NC(C)c2cc(OC)ccc2OC)C(C1)C)C
C54612492,S(C(C(=O)Nc1noc(c1)C)C)CC(=O)N1CCC(CC1)CC
C77797653,O=C(N(C)C)CN1CCCN(CC1)C(=O)NC(CCC(C)(C)C)C
C78459221,Fc1c2c(nccc2NCc2onc(n2)C(OCC)C)c(F)cc1
C42657605,Clc1ccc(cc1)C(O)CSc1nnnn1Cc1occc1
C78976488,o1c(ccc1CNC(=O)c1ccc(cc1)Cn1ncnc1)C1CC1C
C79635236,FC(F)n1ccnc1CN(C(=O)NCc1oc(cc1)C1CC1C)C
C57038405,O(C(C)C)c1cc(ccc1)CNC(=O)c1ccc(nc1)-n1ccnc1
C02220361,Clc1cc(Cl)ccc1C(P(OCC(C)C)(OCC(C)C)=O)O
C12848309,s1c(SCC(C)=C)nnc1SCC(=O)NCc1ccc(cc1)C
C13039670,S=C(NC1C2CC(C1)CC2)N(Cc1cc(OC)c(OCC)cc1)C
C23247933,n1n(cc(CNCCN(C)C)c1-c1cc(ccc1)C)Cc1ccccc1
C35161408,Brc1cc(cc(OC)c1OCC)CNCCc1occc1
C36583605,Clc1ccc(cc1)C(=O)N(C(C)(C)C)C(\C=C/C)C(=O)NCCCC
C36612317,Brc1cc(cc(OC)c1OCC#N)CNCCc1ccccc1
C36803568,s1c(nnc1SCc1cc(ccc1)C(F)(F)F)NCCOC
C41531201,O(C)c1ccc(cc1)C1(CC1)CNC(=O)CCc1ccc(N(C)C)cc1
C41527887,Clc1ccc(cc1)\C=C\C(=O)NCCCCCN1CCN(CC1)C
C44256956,Brc1cc(S(=O)(=O)NC(CCCCCC)C)cnc1
C55343220,Clc1cc(cc(OC)c1O)CN(Cc1ccccc1F)CCOC
C52167519,S(CC(=O)NCCOc1ccc(OC)cc1)c1cc(F)c(F)cc1
C05450309,Clc1ccc(cc1)CCNC(=O)CSc1sc(SCC)nn1
C05935634,S=C(Nc1cc(ccc1OC)C)N(Cc1ccccc1)Cc1ccncc1
C06247905,S=C(Nc1ccc(OC)cc1)N(CC=1CCCCC=1)Cc1cccnc1
C06044294,S=C(Nc1ccc(cc1OC)C)N(CC1CCC=CC1)CC1OCCC1
C16244772,S=C(Nc1ccccc1C(C)C)N(Cc1occc1)Cc1occc1
C60981605,Clc1ccc(SCCNC(=O)COc2ccc(cc2)CC#N)cc1
C61110165,O1c2cc(CNCc3cc(ccc3)COC(C)C)c(OC)cc2CC1C
C61556306,FC(F)Oc1ccc(cc1OC)CNC(C)c1cc(ccc1OC)C
C67121042,Clc1cc(ccc1OC(F)F)CNCc1cc(ccc1)Cn1nccc1
C68714364,s1c(nnc1NC(=O)CSCc1ccc(cc1)C)C(CC)CC
C68986147,O1CCC(CC1)(CNCc1ccc(N(CCC#N)C)cc1)c1ccc(cc1)C
C68980227,O(Cc1cccnc1)c1cc(ccc1OC)CNC1(CC1)c1ccccc1
C69091481,S(=O)(=O)(NCCCN(C)c1ccccc1)c1ccccc1C(F)(F)F
C07059299,Clc1ccc(cc1)\C=C\S(=O)(=O)NCCCN(C)c1ccccc1
C14343507,Clc1ccc(cc1)C(NC(=O)COc1ccc(cc1OC)CC=C)C
C69644952,Clc1n(nc(C(C)C)c1CNCC(N(C)C)Cc1ccccc1)C
C69674647,O1CCN(CC1)c1ccc(cc1)CNCCc1ccc(OC(C)C)cc1
C48751844,O(Cc1ccncc1)c1ccc(cc1OC)CNC(C)c1ccc(cc1)C
C70996389,Clc1cc(OC)ccc1CCCC(=O)NC(C(C)C)c1ccncc1
C71826557,FC(F)(F)COc1ccc(cc1)CNC(=O)c1cc(OC(F)F)ccc1
C72695334,Clc1ncccc1CN(C(C)C)CC(O)COc1cc(ccc1)C
C72840563,O=C(Nc1ccc(cc1CN(C)C)C)c1ccc(cc1)CN(CC=C)C
C72901778,s1c2c(CCCC2)c(C#N)c1NC(=O)CN(C(CCSCC)C)C
C72922135,O(C)c1ccc(cc1)\C=C\CNCc1ccc(cc1)CN1C=CC=CC1=O
C74017656,s1cc(nc1-c1ccc(OC)cc1)CNC(=O)C(SCC)C(C)C
C75114175,O(C)c1cc(ccc1OC)C(N1CCCCC1)CNCc1ccc(cc1)C
C75730736,S(C)c1ccc(cc1)C(NS(=O)(=O)c1ccc(cc1)CCOC)C
C42228204,O(CC)c1ccc2c(cccc2)c1CNCc1ccc(cc1)Cn1ccnc1
C75782643,Brc1cc(cc(OC)c1OCC=C)CNC(C)C1OCCC1
C47136975,s1c(ncc1C(=O)NCCCN(CC(F)(F)F)C)-c1ccccc1
C76832379,S(CCC)CC(=O)Nc1cc(F)c(OCc2cc(ccc2)C#N)cc1
C32019704,S(C(C)(C)C)CC(=O)NC(CCN1CCN(CC1)c1cc(ccc1)C)C
C78909859,S(=O)(=O)(C(C(C)C)C)CC(=O)NC(C)c1ccc(cc1)CC(C)C
C42593967,O=C(NCCCCN1CCN(CC1)CC)C1CCC(CC1)C(C)(C)C
C79458355,Fc1cc(ccc1)CCC(C(=O)NCc1ccc(cc1)Cn1nccc1)C
C79513421,Fc1ccc(F)cc1CC(=O)NCC(N1CCOCC1)C(CC)CC
C79686080,Fc1cc(ccc1)CCC(C(=O)NCc1cc(ccc1)Cn1nccc1)C
C01048687,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(N(C)C)cc1
C04678730,Brc1ccc(cc1)-c1n(C)c(nc1)NC\C=C\c1ccccc1
C06123923,Clc1ccc(SC(C(=O)Nc2scc(n2)-c2ccccc2)C)cc1
C06228445,Clc1cccc(F)c1CSc1sc(nn1)NCc1ccccc1
C02876949,Clc1ccc(cc1NS(=O)(=O)c1ccc(SC)cc1)C(F)(F)F
C07684215,s1ccnc1-c1ccc(NC(=O)Cc2cc(ccc2)C(F)(F)F)cc1
C08166886,Brc1cc(Cl)c(S(=O)(=O)NCCc2ccccc2F)cc1
C10535912,Clc1cc(NC(=O)C(Sc2ncc(cc2)C(F)(F)F)C)ccc1F
C17840869,s1c2c(nc1CCC(=O)NC(C)c1c3c(ccc1)cccc3)cccc2
C20008740,Brc1cc(ccc1F)CNc1cc(OC)c(Cl)cc1OC
C20759506,S(C)c1ccc(cc1)C1Nc2c(C3C1CC=C3)cccc2OCC1OCCC1
C21811318,Brc1sc(cc1)CNc1cc(Cl)c(OC)cc1OC
C13768563,Clc1ccc(cc1)CN1CCN(CC1)C(=S)Nc1ccc(Cl)cc1
C09461604,S(Cc1ccccc1)C=1N=C(NC(=O)C=1C(F)(F)F)c1ccccc1
C35572934,Brc1cc(Cl)cc(C(NCCC)c2occc2)c1OC
C36989743,Brc1cc(Cl)cc(NC(C)c2cccnc2)c1OC(F)F
C37043710,Brc1ccc(cc1)C(Nc1cc(OC)c(OC)cc1Cl)C
C37315544,Brc1ccsc1C(Nc1cc(ccc1)Cn1nccc1)C
C37392149,Brc1cc(Cl)c(NCc2cc(OC)c(OCC)cc2)cc1
C37955649,Brc1cc(C(Nc2cc(Cl)ccc2)C(OC)=O)c(F)cc1
C37962540,Brc1cc(ccc1F)C(Nc1ccc(Cl)cc1)C(OC)=O
C40241383,Brc1cc(ccc1OC)C(O)c1ccc(OC(F)F)cc1
C40401370,Clc1ccc(cc1)Cc1nc2cc(ccc2n1CC(O)C)C(F)(F)F
C41679166,Brc1sc(cc1)C(Nc1cc(Cl)ccc1)C(OC)=O
C42350340,Brc1sc(S(=O)(=O)NC(CC)c2sccc2)cc1
C48440492,Brc1cc(ccc1S(=O)(=O)NC(CC)c1sccc1)C
C48445111,Brc1sc(S(=O)(=O)NC(Cc2cc(Cl)ccc2)C)cc1
C50358261,Brc1cc(oc1Br)CNc1ccc(OCC)cc1
C50961855,Brc1cc(Cl)cc(C(NCC)C2OCCCC2)c1OC
C51544287,Brc1cc(CNCC)c(Oc2ccc(F)cc2Cl)nc1
C51550324,Brc1cc(Cl)ccc1Oc1nccc(c1)CNCCC
C51550329,Brc1cc(Cl)ccc1Oc1nccc(c1)CNC(C)(C)C
C51570246,Brc1cc(Cl)c(Oc2cc(ncc2)CNC(C)C)cc1
C51570262,Brc1cc(Cl)c(Oc2ncc(cc2)CNC(C)C)cc1
C51570632,Ic1cc(Oc2ncc(cc2)CNCCC)ccc1
C52649164,Clc1cc(Cl)c(Cl)cc1OCc1nc(sc1)CNC1CC1
C54713341,Brc1cc(Cl)cc(NC(=O)C(CCl)C)c1OC(F)F
C57348229,Brc1cc(Cl)c(NC(C(=O)N(CC)CC)C)c(Cl)c1
C03540511,Brc1ccc(cc1)CN(CC(=O)Nc1cc(F)c(cc1)C)C
C70216354,Brc1cc(sc1)CNC(CCc1cc2OCOc2cc1)C
C70354620,Brc1cc(ccc1OC)C(NC1CC(OCC1)(CC)C)C
C70487212,Brc1cc(Oc2cccc(Cl)c2CNCCC)cnc1
C71145945,Brc1cc(cc(OC)c1OC1CC(CCC1)CC)CNC
C71851224,Brc1cc(ccc1)C(=O)NC(C)c1ccc(OC(F)F)cc1
C72020271,Clc1cc(cnc1NCC1(CCOCC1)c1ccc(F)cc1)C(F)(F)F
C72927030,Brc1cc(ccc1)CNCc1nc(oc1)-c1ccc(cc1)C
C74946455,Brc1ccc(cc1)CN(C(=O)NCC(C)c1ccsc1)C
C77326396,Clc1cc(cc(Cl)c1)CNC(c1ccc(F)cc1)c1nccn1C
C77961306,Clc1cc(Cl)cnc1NC(=O)C(SC(C)c1sccc1)C
C78481439,Brc1cc(Oc2ncccc2CNC(C)C)c(Cl)cc1
C02521081,Clc1cc(NCCC(=O)c2cc3OCOc3cc2)c(OC)cc1
C07480912,Fc1cc(OC(C(=O)Nc2cc(OC)c(OC)cc2)C)ccc1F
C09314266,O(C)c1ccc(cc1)CCNC(=O)Cn1c2cc(C)c(cc2nc1)C
C13938165,S(=O)(=O)(NC(C)c1ccc(cc1)C)c1cc(OC)c(OC)cc1
C15439889,FC(F)(F)c1ccc(cc1)CCNC(=O)c1cc([N+](=O)[O-])ccc1
C15691236,Fc1ccc(F)cc1NC(=O)C(Oc1ccc(cc1)C(OC)=O)C
C16706198,s1c(nnc1SCC)NC(=O)\C=C\c1oc(cc1)C1CC1C
C23407517,S1c2c(-n3c1nnc3SC(C(=O)NCCCC)C)cccc2
C36733206,O1CCOc2c1cc(cc2)CNC(=O)\C=C\c1ccc(OCC)cc1
C36773687,s1cccc1C(NC(=O)C(Sc1ccc([N+](=O)[O-])cc1)C)C
C14086739,s1cnnc1SC(C(=O)c1ccc(NC(=O)C(C)C)cc1)C
C47339121,Clc1ccc(cc1)\C=C/C(=O)Nc1scc(n1)CC(OC)=O
C48274143,Clc1sc(cc1)C(NCc1nnnn1Cc1ccccc1)C
C55631771,S(=O)(=O)(Nc1cc(OCC)c(OC)cc1)c1ccc(F)cc1C
C25350763,s1c(nnc1SCc1nc(sc1)-c1occc1)NC1CC1
C59249168,Clc1cc(\[NH+]=C\c2ccc(OC(C(=O)[O-])C)cc2)c(OC)cc1
C61390823,S(CCCO)c1nnc(n1-c1ccc(cc1)C)N1CCCCC1
C62498703,O1CCN(CC1)C(CNC(=O)N(CC(C)C)C)c1ccc(cc1)C
C64779567,s1cc(nc1-c1ccccc1F)C(=O)NC(C(C)C)C(OC)=O
C65491999,O1c2cc(NC(=O)c3ccc(cc3)CN(CC(C)=C)C)ccc2OC1
C67330224,o1c(C)c(cc1C)C(NC(=O)\C(=C/c1ccc(OCC)cc1)\C#N)C
C68046527,o1nc(nc1C(NC(=O)C1CC1c1cc(ccc1)C)C(C)C)C1CC1
C68567137,O1CCN(CC1CNC(=O)N(CC#C)C1CCCCC1)CC(C)C
C68580535,O1CCN(CC1)C(C(C)C)CNC(=O)N(CC#C)C1CCCCC1
C69667487,O(C(=O)CNC(=O)C12CC3CC(C1)CC(C2)C3)C1CCCC1OC
C70012529,O(C)c1ccc(cc1\C=C\C(=O)C(C(=O)Nc1ccccc1)C#N)C
C71894945,Clc1cc(NCc2cc(OC)c(OC)c(OC)c2)ccc1C#N
C71970895,s1c(C)c(CC)c(C(OCC)=O)c1NC(=O)c1scnc1C
C72693946,O=C(N1CCN(CC1)CC(=O)NCCC1CCCCC1)C1CC1C
C72949153,Fc1c2c(ncnc2NCc2cc(OC(CC)C#N)ccc2)ccc1
C73038979,O1CC(N(CC1)C(=O)NCc1cc(ccc1)CN(C)C)CC(C)C
C73135585,o1c(ccc1\C=C(\C(=O)NCc1ccc(OC)cc1)/C#N)C1CC1C
C73330017,S(=O)(=O)(NC)c1ccc(cc1)CCC(=O)N1CC(CC1CC)C
C24113691,S(C(C(=O)NC(CC)C)C)c1nncn1-c1ccc(cc1C)C
C73811523,S(C(C(C)C)C(=O)Nc1ccccc1F)c1nncn1C(C)C
C24826645,Clc1ccc(OCc2scc(n2)CSc2nc[nH]n2)cc1
C74551534,FC(F)(F)CN(C(=O)CNC(=O)N1CCCC1CC(C)(C)C)C
C74778786,s1c(ccc1S(=O)(=O)NCCc1oc2c(n1)cccc2)CC
C74799956,S(=O)(=O)(NCCn1nc(C)c(C)c1C)c1ccc(cc1)C(C)C
C55949283,S(=O)(=O)(NCc1ccccc1OC)c1cc(C)c(OC)cc1C
C76013394,O(C)c1ccc(OC)cc1C(NC(=O)C(N1CC(CC1)(C)C)C)C
C31968625,Fc1ccc(OC(C(=O)Nc2cc(ccc2)Cn2nccc2)C)cc1
C76159062,o1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)CCN(C)C
C76145097,o1c(ccc1CC)C1N(CCC(C1)C)CC(=O)NCC1CCOC1
C76568212,s1c2c(nc1N(C(=O)C(=O)NC(CC(CC)C)C)C)cccc2
C76910616,O=C(N1CCN(CC1)CC(=O)NCCC1CCCCC1)C(C)(C)C
C42939201,O(C(C(C)C)C(=O)Nc1ccc(cc1)C(=O)C)c1ccccc1C#N
C78768693,s1cc(nc1COC)C1NC2(CCCCC2)C(=O)N1CCCC
C78993770,s1cc(nc1-c1cccc(OC)c1OC)CSc1[nH]ccn1
C55948172,Fc1cc(NC(=O)c2cc(OCC)c(OC)cc2)cc(F)c1OC
C03103658,FC(F)(F)C(NC(=O)N(CC(C)C)CC(C)C)(C(F)(F)F)C
C02644833,Clc1ccc(cc1)C(C(C)C)C(=O)NCCc1ccc(OC)cc1
C10348390,S(CC(=O)Nc1ccc(cc1)CCC)c1ncc(cc1)C(F)(F)F
C13710342,Clc1ccc(SCCNC(=O)C(Oc2cc(ccc2C)C)C)cc1
C18138551,S(CCNC(=S)N(CC)c1ccccc1C)c1ccccc1
C19738227,O1CCCC1COc1ccc(NCc2ccc(cc2)C(C)(C)C)cc1
C20430301,Brc1cc(F)ccc1NCc1ccc(OCCCC)cc1
C20874445,O(Cc1ccc(cc1)C)c1cc(ccc1)CNCCc1ccccc1
C20876620,Clc1cc(ccc1C)-c1oc(cc1)CNCCc1ccc(OC)cc1
C21044603,Brc1ccc(cc1)CNc1cc(OCC)ccc1OCC
C28428044,Clc1cc(cc(Cl)c1OCc1ccccc1)CNCc1sccc1
C06411231,S(Cc1ccc(OC)cc1)C(=S)Nc1ccc(cc1)C(F)(F)F
C34772800,Clc1cc(ccc1Cl)COc1c(cc(cc1OC)CO)CC=C
C37300555,Brc1ccsc1C(Nc1cc(OCCN(C)C)ccc1)C
C37777501,Brc1ccccc1C(Nc1cc(OCCOC)ccc1)C
C38003452,Brc1sc(cc1)C(Nc1ccc(cc1OCCOC)C)C
C38018332,Brc1sc(cc1)CNC(CCc1ccc(OC)cc1)C
C39968658,Clc1ccc(cc1)CS(=O)(=O)NC(C)c1ccc(cc1)C(CC)C
C39979585,O(C)c1cc(ccc1)CNCc1c2c(n(c1)Cc1ccccc1)cccc2
C42352854,Brc1ccc(cc1)CNCc1ccc(OCCCC)cc1
C45333046,Brc1ccc(SCCCCC(NCC)(C#N)C)cc1
C53831394,Brc1ccsc1CC(NCC)Cc1cc(OC)ccc1
C06417083,Brc1ccc(NC(=S)N(Cc2ccccc2)CC(C)C)cc1
C06391608,S=C(Nc1cc(C)c(cc1)C)N(Cc1ccccc1F)Cc1occc1
C59099552,S=C(Nc1ccc(cc1)C)N(CC1CCC=CC1)Cc1occc1
C59100467,S=C(Nc1ccc(cc1C)C)N(Cc1cc(F)ccc1)Cc1occc1
C59107483,S=C(Nc1cc(ccc1C)C)N(Cc1ccc(F)cc1)Cc1occc1
C59407561,S=C(Nc1cc(ccc1)C)N(Cc1ccccc1F)Cc1ccccc1
C61556450,S(Cc1oc(cc1)CNC(C)c1oc2c(c1)cccc2)C(F)F
C66154764,Clc1cc(Cl)ccc1OC(CNc1ccc(OCC)cc1)C
C66180524,O(C(CC)C)c1ccc2c(cccc2)c1CNCc1cc(ccc1)C
C70245589,Clc1cc(Cl)cc(CNCCC)c1OCCc1ccsc1
C71299152,Brc1sc(cc1)C(NCC)c1ccc(OCCC)cc1
C71305264,Brc1cc(sc1)C(NCCC)c1ccc(OC)cc1OC
C30544621,O(Cc1ncccc1)c1cc(ccc1)CNC(C)c1c2c(ccc1)cccc2
C73278678,s1cc(nc1C(NC(=O)CCc1ccc(cc1)C)CC)C(F)(F)F
C73650852,Clc1sc(cc1)C(NCc1ccc(OCc2ncsc2)cc1)C
C74313803,Clc1ccc(cc1)CNCc1ccc(cc1)COCC(F)(F)F
C75114369,Clc1ccc(cc1)CNCC(N(CC)CC)c1ccc(cc1)C
C75230749,Clc1ccc(cc1C)C=1NC(SC=1CN(CCC)CCC)=O
C75800590,FC(F)(F)c1ccc(cc1)CNC(C)c1ccc(OC)cc1OC
C76303136,S(C(F)(F)F)c1ccc(S(=O)(=O)NC(CSC)C)cc1
C76315975,O(C)c1ccc(cc1NCCCc1ccc(N2CCCCC2)cc1)C
C76322426,Clc1cc(cc(OC)c1OC)CCCNc1cc(Cl)ccc1
C76307272,Clc1ccc(cc1)CNCCCc1cc(OCC(C)C)ccc1
C76383471,O(CC)c1ccc(cc1N1CC(CC1)CNc1ccc(cc1)CC)C
C76387124,N(CC)(CC)c1cc(C)c(N2CC(CC2)CNc2ccccc2)cc1
C76900345,Clc1cc(ccc1OC(F)F)CNC(C)c1nc(sc1)C(C)C
C78515959,s1cccc1C(NCc1nccn1C(F)F)c1ccc(cc1)C(C)C
C78736039,s1cc(nc1)COc1ccc(cc1)CNC(C)c1ccc(F)cc1
C00218376,Clc1ccc(cc1)\C=C(\C(=O)Nc1ccc(Cl)cc1)/C#N
C00109546,Clc1ccc(cc1)CNc1ncnc2sc3CCCCc3c12
C05237715,s1c2N=C(SCc3ccc(F)cc3)NC(=O)c2c(C)c1C
C05598787,Brc1ccc(NS(=O)(=O)c2ccc(cc2C)C)cc1
C06315785,Brc1cc(S(=O)(=O)Nc2ccc(cc2C)C)ccc1
C07052218,Brc1ccccc1S(=O)(=O)Nc1cc(ccc1C)C
C07402258,Clc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2)cc1
C07428508,Clc1cc(S(=O)(=O)Nc2cc(ccc2F)C)cc(Cl)c1
C08316045,Clc1cc(Cl)ccc1C(NC(=O)c1ccc(Cl)nc1)C
C08377500,Clc1cc(NS(=O)(=O)c2cc(F)c(F)cc2)ccc1Cl
C19424011,Brc1cc(ccc1NS(=O)(=O)c1cc(ccc1)C)C
C21125015,Clc1cc(cc(Cl)c1OC)C(=O)Nc1c(cc(cc1C)C)C
C23625465,Brc1ccccc1-c1nc(sc1)Nc1ncccc1
C25776920,Fc1ccccc1N1CCN(CC1)Cc1c2c(cccc2)c(O)cc1
C26710059,Brc1cc(ccc1)C(Nc1ncnc2c1scc2)C
C35116809,Brc1cc2OCOc2cc1CNc1ccc(F)cc1C
C36922809,Clc1cc(c2ncccc2c1NC(C)c1nc(sc1)C)C
C37325583,Brc1cc(F)ccc1NCc1cc2OCOc2cc1
C37369180,Brc1cc(NC(=O)c2n(ccc2)C(C)C)c(cc1)C
C00105433,s1c2cc(ccc2nc1)C(=O)Nc1ccc(cc1)C(F)(F)F
C37937635,Brc1cc(NC(C#N)c2cc3CCOc3cc2)ccc1
C38001828,Brc1sc(cc1)C(Nc1cc2OCOc2cc1)C
C40881611,Brc1cc2c(cc(Oc3nccc(c3)CO)cc2)cc1
C41531202,S1CCC(Nc2c3c(nc(SC)c2C#N)cccc3)CC1
C43320023,Brc1cc2OCOc2cc1CNc1cccc(F)c1C
C43640412,Clc1cc2OCCCOc2cc1C(O)c1sc(cc1)CC
C48652378,Clc1cc(NS(=O)(=O)c2cc(F)c(cc2)C)ccc1Cl
C48652817,Clc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1C
C48653643,Clc1cc(NS(=O)(=O)c2cc(ccc2F)C)c(F)cc1
C48655376,Clc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1F
C49221403,Brc1cc2nc(sc2cc1)NC(C)c1oc(cc1)C
C49571772,Brc1cc(ccc1)C(Nc1nsnc1Cl)C
C51985839,Brc1cc2[nH]c(nc2nc1)CCc1cc(ccc1)C
C05706481,o1cc(cc1)CCC1(O)C(C)C(=O)CC2C1(CCCC2(C)C)C
C58612064,s1c2cc(ccc2nc1NC(=O)c1cc(SC)ccc1C)C
C34766840,Clc1cc(Cl)ccc1C(Nc1ncnc(Cl)c1C)C
C62193920,Brc1ncc(NC(=O)c2ccc(cc2)C(C)C)cc1
C64833834,s1ccnc1-c1cc(NC(=O)c2c(F)cccc2F)ccc1
C67642354,Fc1ccc(cc1)Cn1ccnc1-c1ccc(cc1)C#CC(O)(C)C
C16124951,Clc1cc(ccc1NS(=O)(=O)c1cc(F)cc(F)c1)C
C05126760,S(=O)(=O)(Nc1cc(F)c(F)cc1)c1cc2CCCCc2cc1
C70110805,Brc1cc2OCOc2cc1CNC1CCC(CC1C)C
C70126163,Brc1cc2OCCCOc2cc1C(O)C(C(C)C)C
C71763644,s1cc(cc1)-c1nccn1C(C)C12CC3(O)CC(C1)CC(C2)C3
C73392377,s1cc(nc1-c1ccc(cc1)C(=O)Nc1cccc(F)c1C)C
C75233314,O=C(Nc1c(cc(cc1C)C)C)C(n1c2c(cc(cc2)C)cc1)C
C76174140,s1cnc(-c2ccc(F)cc2)c1NC(=O)c1cc(F)ccc1F
C78067554,Clc1cc(c2ncccc2c1NC(=O)C(C)c1ccsc1)C
C78351141,Clc1cc(cnc1/C(=C/c1cc(O)ccc1)/C#N)C(F)(F)F
C79359495,Brc1cc(CO)c(nc1)N1CCC(CCC1)C(C)C