{"text_format":"3","workbook":"xlsx","n_sheets":1,"sheets":["MCSIanalogstable"],"read":"whole","date_system":"1900"}

{"sheet":"MCSIanalogstable","index":0,"n_rows":1310,"n_cols":5,"rows_kept":1310}
["CHEMBL_ID","Cluster","%_Inh","SMILES","56set"]
["TCMDC-132869",1,null,"c1cc(ccc1CNCCN2CCNCC2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132812",1,115.3061224,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133923",1,107.3010718,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133866",1,106.9892822,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)C6CCN(CC6)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132862",1,105.5471982,"c1cc(ccc1CNCCN2CCNCC2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132736",1,105.5471982,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNC5CCN(CC5)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133932",1,102.4414674,"c1cc(ccc1CN2CCC(CC2)CCN3CCCCC3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132835",1,98.35369993,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCNC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132809",1,97.60539874,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132828",1,96.60938533,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCNC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133862",1,94.81895363,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133859",1,93.67302584,"CN1CCC(CC1)N2CCN(CC2)Cc3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133899",1,90.54124382,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)CC6CCCN(C6)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133873",1,89.08328514,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132829",1,87.06563707,"CNCCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137140",1,86.64944014,"CC(CN1CCN(CC1)C)C(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133889",1,85.25969276,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136945",1,84.5282516,"c1cc(cc(c1)NC(=O)Cc2c[nH]cn2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-137091",1,82.39605544,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5c(nns5)C","n"]
["TCMDC-132824",1,82.14285714,"CNCCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132983",1,78.70519386,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5ccc(cc5)NC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137068",1,78.65633075,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5cncn5C","n"]
["TCMDC-132749",1,78.46934938,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132870",1,77.86717482,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132987",1,77.52778894,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133847",1,76.03419746,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132814",1,75.70635112,"c1cc(ccc1CN)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133175",1,74.55810455,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)Nc5ccc(cc5)Cl","n"]
["TCMDC-136769",1,73.19538017,"CN(C)CCCN1CCN(CC1)Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133219",1,69.14253479,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccsc5","n"]
["TCMDC-132874",1,67.93907484,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCc5cccnc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133851",1,67.22612542,"CN1CCC(CC1)N2CCN(CC2)Cc3ccc(cc3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133854",1,66.76081799,"c1cc(ccc1CN2CCC(C2)N)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132838",1,66.69974201,"CNCCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133892",1,66.69504754,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132821",1,65.23128996,"CN(CCN)Cc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133874",1,63.6248707,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136934",1,63.59470468,"c1cc(cc(c1)NC(=O)c2c[nH]cn2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133043",1,63.05159538,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCC5CCN(C5)C(=O)OCC=C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136765",1,62.11886305,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)Cc6cccnc6","n"]
["TCMDC-137066",1,61.92697228,"Cn1cncc1C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133864",1,61.00566572,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137089",1,59.5815565,"Cc1c(snn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-136766",1,58.81136951,"CN(CCc1ccccn1)Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132683",1,58.14225398,"CN(C)CCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133856",1,57.48251748,"c1cc(ccc1CN2CCCC(C2)N)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132950",1,57.34894773,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133909",1,55.64740307,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)CC6CCCN(C6)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132179",1,54.96054115,"CN1CCC(CC1)C(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133120",1,54.70101542,"c1cc(ccc1CN2CCC(CC2)CO)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132830",1,50.67958357,"CNCCNCc1cccc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133904",1,49.15487667,"CN1CCCC(C1)CN2CCN(CC2)Cc3cccc(c3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132316",1,46.46993933,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=O)NCCN5CCCC5","n"]
["TCMDC-132820",1,44.42351413,"CN(CCN)Cc1cccc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133101",1,42.95655126,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132985",1,42.4776624,"CNc1ccc(cc1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133849",1,41.96883853,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132997",1,41.54250657,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132819",1,40.81169292,"CN(CCN)Cc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137055",1,40.39179104,"Cn1cncc1C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133036",1,38.08604523,"C=CCOC(=O)N1CCC(C1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132988",1,37.26366449,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132912",1,36.62197777,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132992",1,36.34696918,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136768",1,35.93453919,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCCC5","n"]
["TCMDC-133062",1,33.98156883,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137116",1,33.05387186,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)C(C)CN(C)C","n"]
["TCMDC-136825",1,32.62704565,"CC(=O)Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-136855",1,31.88734455,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)[C@H](C(C)C)NC(=O)C","n"]
["TCMDC-133930",1,30.19828156,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133900",1,28.2388664,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)c6cnccn6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132823",1,28.04801801,"CNCCNCc1cccc(c1)c2ccc(s2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132332",1,27.088515,"CC(C1CCCCN1C(=O)c2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4)O","n"]
["TCMDC-136787",1,26.44288819,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCC(CC5)N6CCCCC6","n"]
["TCMDC-133869",1,26.10481586,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133122",1,24.9107733,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136821",1,24.61353945,"CC(=O)Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132314",1,24.13479053,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=O)NCCN5CCCC5","n"]
["TCMDC-137100",1,21.36180819,"CC(CN(C)C)C(=O)Nc1ccc(cc1)c2ccc(s2)c3[nH]c4ccccc4n3","n"]
["TCMDC-137115",1,20.93008172,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)C(C)CN(C)C","n"]
["TCMDC-132917",1,20.85481838,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136988",1,20.22394488,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)CN5CCN(CC5)C","n"]
["TCMDC-132160",1,19.3413893,"c1cc(cc(c1)NC(=O)CCc2c[nH]cn2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-132184",1,18.99300699,"CN1CCC(CC1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133084",1,18.30988228,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133189",1,17.89002087,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5cccc(c5)C#N","n"]
["TCMDC-133000",1,16.97176103,"c1cc(ccc1CN2CCCC2CN)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132714",1,15.97744361,"c1ccc(cc1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132727",1,15.74609601,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136915",1,15.71050892,"CC(=O)Nc1ncc(s1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133870",1,15.45325779,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132318",1,15.44631603,"c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-136976",1,14.5926083,"CN1CCN(CC1)CC(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133048",1,14.32011331,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133085",1,13.51458623,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCCNS(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132317",1,13.2104308,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)C(=O)NCCN5CCCC5","n"]
["TCMDC-132138",1,13.0431602,"CC(=O)Nc1cccc(c1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133054",1,12.51289103,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137028",1,12.50722961,"Cc1cnc(cn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132315",1,12.26906063,"c1cc(ccc1c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)C(=O)NCCN5CCCC5","n"]
["TCMDC-132909",1,11.82795699,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133170",1,11.61114486,"CCNC(=O)Nc1ccc(cc1)c2ccc(s2)c3[nH]c4c(cccc4n3)C","n"]
["TCMDC-132755",1,11.61059018,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132967",1,11.48050231,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5cnn(n5)c6ccccc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133938",1,11.37475215,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136954",1,11.16083916,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)c5ccncc5","n"]
["TCMDC-132695",1,10.69237511,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132144",1,10.52222458,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5cccc(c5)NC(=O)C","n"]
["TCMDC-132331",1,10.35113387,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)C(=O)N5CCCCC5C(C)O","n"]
["TCMDC-133094",1,10.18059139,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136986",1,9.750215332,"CN1CCN(CC1)CC(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133893",1,9.584378359,"c1cc(ccc1CN2CCN(CC2)c3cnccn3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137067",1,9.47459087,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)c5cncn5C","n"]
["TCMDC-133819",1,9.471249174,"CC1CN(CC(O1)C)Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132195",1,9.45041258,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5cccc(c5)C(=O)N","n"]
["TCMDC-137079",1,9.216563757,"Cc1c(snn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132507",1,9.089770878,"CS(=O)(=O)c1ccccc1CNC(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133010",1,8.567716791,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133935",1,8.437835901,"c1cc(ccc1CN2CCN(CC2)CCN3CCOCC3)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132743",1,8.32877711,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNC(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133208",1,8.037178786,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)Nc5ccsc5","n"]
["TCMDC-132733",1,7.279829545,"COc1ccc(cc1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133925",1,7.216628776,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136994",1,6.723539618,"Cc1c(sc(n1)C)CC(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-136956",1,6.685314685,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5ccncc5","n"]
["TCMDC-133156",1,6.678751487,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)NCc5ccccc5","n"]
["TCMDC-133034",1,6.44028103,"c1cc(ccc1CN2CCN(CC2)CCO)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132142",1,5.898769504,"CC(=O)Nc1cccc(c1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133126",1,5.884562414,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136953",1,5.636993603,"c1cc(cc(c1)NC(=O)Cc2c[nH]cn2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133049",1,5.306450818,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132161",1,5.175270873,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)CCc5c[nH]cn5","n"]
["TCMDC-133286",1,5.156310806,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)NCc5cccc(c5)F","n"]
["TCMDC-133009",1,4.68260924,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132900",1,4.618382592,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132677",1,4.163483575,"c1cc(ccc1CN2CCN(CC2)c3cnccn3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133088",1,4.155513066,"CS(=O)(=O)NCCCNCc1cccc(c1)c2ccc(s2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132353",1,3.480656066,"Cn1ccnc1CNC(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132482",1,3.451196274,"c1ccc(cc1)CCN2CCN(CC2)C(=O)c3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F","n"]
["TCMDC-133021",1,2.979259769,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)CCOC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132722",1,2.559282822,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133027",1,2.276867031,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133116",1,1.839401243,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136933",1,1.444184231,"c1cc(ccc1c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)NC(=O)c5c[nH]cn5","n"]
["TCMDC-133242",1,1.321884533,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)Nc5ccc(cc5)OC","n"]
["TCMDC-133283",1,1.038819027,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(c(c5)Cl)Cl","n"]
["TCMDC-132962",1,1.008635077,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4ccc(s4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137077",1,0.793765334,"Cc1c(snn1)C(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132133",1,0.748611447,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)COc5ccccc5C(=O)N","n"]
["TCMDC-133055",1,0.747220703,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137090",1,0.41958042,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)c5c(nns5)C","n"]
["TCMDC-136922",1,0.195804196,"c1cc(cc(c1)NC(=O)c2cccnc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132147",1,0.176441527,"c1cc(cc(c1)NC(=O)CCc2cccnc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133028",1,0.165234633,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133200",1,0.164024057,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)Nc5ccccc5OC","n"]
["TCMDC-132944",1,-0.140121439,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133169",1,-0.513778608,"CCNC(=O)Nc1cccc(c1)c2ccc(s2)c3[nH]c4c(cccc4n3)C","n"]
["TCMDC-133015",1,-0.535372849,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136767",1,-1.010529291,"CCCN1CCN(CC1)Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132849",1,-1.10376735,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132183",1,-1.126831101,"CN1CCC(CC1)C(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132945",1,-1.704462326,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136785",1,-1.727807687,"COC[C@H]1CCCN1Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133895",1,-2.041958042,"CC(=O)N(C)C1CCN(C1)Cc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132143",1,-2.132959676,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)c5cccc(c5)NC(=O)C","n"]
["TCMDC-133243",1,-2.293526155,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)OC","n"]
["TCMDC-132709",1,-2.299016773,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133004",1,-2.406730066,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132690",1,-2.690019828,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133834",1,-3.040042855,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133106",1,-3.113020489,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132762",1,-3.129378795,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133272",1,-3.418436234,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)Nc5ccc(c(c5)Cl)Cl","n"]
["TCMDC-133236",1,-3.503035965,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(c(c5F)F)F","n"]
["TCMDC-132330",1,-3.594646272,"CC(C1CCCCN1C(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4)O","n"]
["TCMDC-132499",1,-4.131714035,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=O)NCCc5cn(cn5)C","n"]
["TCMDC-133127",1,-4.487772637,"c1cc(ccc1CN2CCC(CC2)CO)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133107",1,-4.989566712,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136977",1,-5.013620444,"CN1CCN(CC1)CC(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-136944",1,-5.396600567,"c1cc(ccc1c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)NC(=O)Cc5c[nH]cn5","n"]
["TCMDC-132906",1,-5.934643796,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132319",1,-6.335294854,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)C(=O)NCCN5CCCC5","n"]
["TCMDC-136987",1,-6.570242574,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)CN5CCN(CC5)C","n"]
["TCMDC-136931",1,-7.86013986,"c1cc(cc(c1)NC(=O)c2cccnc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133078",1,-8.111474389,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCCNS(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132920",1,-8.717701038,"c1cc(ccc1CN2CCN(CC2)c3ccncc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133832",1,-9.101338432,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CC(OC(C5)C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133099",1,-9.128516271,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133059",1,-9.202797203,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5cccc(c5)c6c(noc6C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133871",1,-9.563780568,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136968",1,-9.65034965,"c1cc(cc(c1)NC(=O)c2ccncc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133827",1,-10.01103144,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133003",1,-10.06124091,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133259",1,-10.60897074,"CCOC(=O)c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5c(cccc5n4)C","n"]
["TCMDC-136960",1,-10.76923077,"c1cc(cc(c1)NC(=O)c2ccncc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132927",1,-10.94278202,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133110",1,-11.3535456,"c1cc(ccc1CN2CCN(CC2)c3ccc(cn3)C#N)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132481",1,-11.54375861,"Cc1cc(on1)CNC(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132756",1,-11.94440967,"c1cc(ccc1CNCCCN2CCCC2=O)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133128",1,-12.47831116,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132500",1,-12.70665691,"Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132877",1,-12.83984918,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCc5cccnc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133222",1,-13.04138595,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(c(c5F)F)F","n"]
["TCMDC-133285",1,-13.07992976,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)NCc5cccc(c5)F","n"]
["TCMDC-133911",1,-13.54745231,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136971",1,-13.62692956,"CN1CCN(CC1)CC(=O)Nc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133037",1,-14.34831601,"C=CCOC(=O)N1CCC(C1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132842",1,-14.39667872,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132152",1,-14.42360728,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)CCc5c[nH]cn5","n"]
["TCMDC-132848",1,-14.57937089,"c1cc(ccc1CNCCc2ccncc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137114",1,-16.25211302,"CC(CN(C)C)C(=O)Nc1cccc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)F","n"]
["TCMDC-132843",1,-16.64902251,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133821",1,-16.6861741,"c1cc(ccc1CN2CCCC(C2)O)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132371",1,-16.96765231,"COC(=O)C(c1ccc(cc1)O)NC(=O)c2ccc(cc2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-136786",1,-17.3965448,"CC(C)CN(C)Cc1ccc(cc1)c2ccc(s2)c3[nH]c4ccccc4n3","n"]
["TCMDC-132876",1,-17.54806508,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCCc5cccnc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132675",1,-17.55352448,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNC5CC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132936",1,-17.70654329,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132341",1,-18.79297732,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132498",1,-19.19345898,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)C(=O)NCCc5cn(cn5)C","n"]
["TCMDC-133902",1,-19.49565384,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133092",1,-19.94395142,"c1cc(ccc1CNCC2CCCO2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133201",1,-21.27443227,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccccc5OC","n"]
["TCMDC-133115",1,-21.41297877,"c1cc(ccc1CN2CCN(CC2)c3ccc(cn3)C#N)c4ccc(s4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132972",1,-22.06930623,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5cnn(n5)c6ccccc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133176",1,-22.37019762,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)Cl","n"]
["TCMDC-132853",1,-22.62738469,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132975",1,-22.65544989,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137154",1,-22.77347115,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)C(C)CN5CCN(CC5)C","n"]
["TCMDC-136842",1,-23.11995837,"c1cc(ccc1c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)NC(=O)c5ccoc5","n"]
["TCMDC-132340",1,-23.74586198,"CC(C)(C)OC(=O)[C@H](CC(=O)N)NC(=O)c1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F","n"]
["TCMDC-137132",1,-23.78731343,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5csc(n5)NC(=O)C","n"]
["TCMDC-133119",1,-24.51496674,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133076",1,-24.73669623,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133209",1,-24.82508899,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccsc5","n"]
["TCMDC-136939",1,-25.08455468,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Cc5c[nH]cn5","n"]
["TCMDC-133111",1,-25.74590953,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133083",1,-25.93269934,"CS(=O)(=O)NCCCNCc1cccc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133258",1,-27.3796034,"CCOC(=O)c1ccc(cc1)NC(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5c(cccc5n4)C","n"]
["TCMDC-136770",1,-27.83848614,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)CN5CCN(CC5)c6ccncc6","n"]
["TCMDC-132343",1,-28.03670611,"c1cc(cc(c1)C(=O)N2CCCCC2CN3CCC(C3)O)c4ccc(s4)c5[nH]c6ccc(cc6n5)F","n"]
["TCMDC-132342",1,-28.43137255,"c1cc(ccc1c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-133018",1,-29.18173296,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132757",1,-29.57325007,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132703",1,-30.50166297,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132875",1,-31.31675201,"c1cc(cnc1)CCNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132719",1,-32.48719824,"COc1ccc(cc1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132951",1,-33.43266638,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132764",1,-35.61001741,"c1cc(ccc1CNCCCN2CCCC2=O)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137076",1,-37.06280557,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)c5ccc(cc5)CC(=O)NC","n"]
["TCMDC-132977",1,-37.36900165,"CNc1ccc(cc1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132687",1,-37.36900165,"c1cc(ccc1CN2CCC(CC2)C(=O)N)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133114",1,-37.59867583,"c1cc(cc(c1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132956",1,-38.48392461,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137102",1,-38.48406546,"CC(CN(C)C)C(=O)Nc1cccc(c1)c2ccc(s2)c3[nH]c4ccccc4n3","n"]
["TCMDC-132926",1,-42.76177346,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132968",1,-47.17341482,"c1ccc(cc1)n2ncc(n2)CNCc3cccc(c3)c4ccc(s4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136852",1,-48.63935625,"CC(C)[C@@H](C(=O)Nc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F)NC(=O)C","n"]
["TCMDC-132805",1,-48.89513861,"C#CCNCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137155",1,-49.23341947,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)NC(=O)C(C)CN5CCN(CC5)C","n"]
["TCMDC-132958",1,-50.8632041,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136833",1,-51.50586354,"CC(=O)Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133273",1,-52.77856455,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)NC(=O)Nc5ccc(c(c5)Cl)Cl","n"]
["TCMDC-133861",1,-54.5129748,"c1cc(ccc1CN2CCN(CC2)CCC#N)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137142",1,-55.57278208,"CC(CN1CCN(CC1)C)C(=O)Nc2cccc(c2)c3ccc(s3)c4[nH]c5ccccc5n4","n"]
["TCMDC-133897",1,-55.88128583,"c1cc(ccc1CN2CCCCC2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132708",1,-60.79885506,"c1ccc(cc1)CNCc2cccc(c2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132932",1,-65.21924223,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4ccc(cc4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133100",1,-65.64497932,"c1cc(ccc1CNCC2CCCO2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132745",1,-79.18390372,"CC(C)NCc1ccc(cc1)c2ccc(s2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132939",1,-86.12352469,"c1cc(cc(c1)N)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132903",1,-111.0755923,"Cc1cccc2c1[nH]c(n2)c3ccc(s3)c4cccc(c4)CNCc5ccc(cc5)S(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133907",1,-114.3926588,"c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4cccc(c4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132933",1,-169.7462769,"c1cc(cc(c1)N)CNCc2ccc(cc2)c3ccc(s3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-137476",2,null,"CN1CCN(CC1)CCNc2c3ccc(cc3nc4c2cc(cc4)OC)Cl.Cl","y"]
["TCMDC-137734",2,124.9421631,"COc1ccc2c(c1)c(cc(n2)c3ccccc3)NCCCNc4cc(nc5c4cc(cc5)OC)c6ccccc6.Cl","n"]
["TCMDC-125835",2,124.3849098,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)N.Cl","n"]
["TCMDC-125852",2,122.0766015,"CCOc1ccc2c(c1)c(c3ccc(cc3n2)N(=O)=O)N","n"]
["TCMDC-125004",2,120.6487174,"CCOc1ccc2c(c1)c(c3ccc(cc3n2)NC(=O)c4ccco4)N","n"]
["TCMDC-138218",2,112.3985099,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4c5ccc(cc5nc6c4cc(cc6)OC)Cl","n"]
["TCMDC-123973",2,111.175893,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccc(cc3)F","n"]
["TCMDC-138933",2,106.8970503,"COc1cc2c(cc(nc2cc1OC)c3ccc(cc3)Br)N","n"]
["TCMDC-142077",2,106.5606972,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3cccc(c3)Cl","n"]
["TCMDC-137503",2,106.1805804,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCCCNc4c5ccc(cc5nc6c4cc(cc6)OC)Cl.Cl","n"]
["TCMDC-123955",2,105.6769363,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccc(cc3OC)OC","n"]
["TCMDC-139204",2,104.605382,"CCCCCCCN1CC[C@H]([C@H](C1)C=C)CCNc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-137580",2,104.2696763,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCN4CCNCC4.Cl","n"]
["TCMDC-125480",2,101.0342234,"CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.O.Cl","n"]
["TCMDC-137520",2,100.6278916,"CCCCCCN(CCCCCC)CCCCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-142091",2,100.0738831,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccc(cc3)Cl","n"]
["TCMDC-137578",2,99.69061533,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCN4CCNCC4.Cl","n"]
["TCMDC-137460",2,99.56060751,"CCCCN(CCCC)CCCCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-123971",2,99.28579638,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccc(cc3)Cl","n"]
["TCMDC-124247",2,98.86807182,"CCN(CC)CCCC(C)Nc1cc(nc2c1cc(cc2)OC)C=Cc3ccc(cc3)N(=O)=O.OP(=O)(O)O","n"]
["TCMDC-139197",2,97.48929686,"CCCCCCCN1CCC(CC1)CCNc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-142090",2,95.11683643,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccccc3Cl","n"]
["TCMDC-137514",2,94.77982955,"CCN(CC)CCCCCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-137526",2,92.70707559,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCN.Cl","n"]
["TCMDC-142048",2,91.47180193,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccccc3N(=O)=O","n"]
["TCMDC-138079",2,90.61316288,"CCN(CC)CC(CNc1c2ccc(cc2nc3c1cc(c(c3)OC)OC)N(=O)=O)O.Cl","n"]
["TCMDC-142095",2,88.88547932,"Cc1cc(c2cc(ccc2n1)OC)N/N=C/C=C/c3ccccc3","n"]
["TCMDC-142017",2,88.79264392,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccncc3","n"]
["TCMDC-124232",2,86.79417122,"Cc1ccc(c(c1)C=NNc2cc(nc3c2cc(cc3)OC)C)O","n"]
["TCMDC-137586",2,86.54718361,"CCN1CCN(CC1)CCCNc2c3ccc(cc3nc4c2cc(cc4)OC)Cl.Cl","n"]
["TCMDC-142131",2,82.17495506,"COc1ccc2c(c1)c(ccn2)NN=Cc3cccc(c3)F","n"]
["TCMDC-142093",2,73.54703415,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3cccc(c3)F","n"]
["TCMDC-139181",2,71.30871657,"CCCCCCCN1CCC(CC1)CC(=O)Nc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-137579",2,70.35112863,"CCOC(=O)N1CCN(CC1)CCCCNc2c3ccc(cc3nc4c2cc(cc4)OC)Cl.Cl","n"]
["TCMDC-138017",2,69.17101915,"CN1CCN(CC1)CCNc2c3ccccc3nc4c2cc(cc4)OC","n"]
["TCMDC-142049",2,64.63172805,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3cccc(c3)N(=O)=O","n"]
["TCMDC-142242",2,64.06152307,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3cccc(c3C)C)Cl)OC)OC","n"]
["TCMDC-142092",2,61.80347513,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccccc3F","n"]
["TCMDC-142124",2,58.15023935,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccc(cc3)Cl","n"]
["TCMDC-142278",2,57.85844392,"CC(C)NCc1cc(ccc1O)Nc2c3ccc(cc3nc4c2cc(cc4)OC)Cl","n"]
["TCMDC-131968",2,54.76399149,"COc1cc2c(cc1OC)CN(CC2)c3cc(c4cc(c(cc4n3)OC)OC)N.CS(=O)(=O)O","n"]
["TCMDC-139093",2,54.53154876,"CN(C)CCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl","n"]
["TCMDC-142137",2,53.89454763,"COc1ccc2c(c1)c(ccn2)NN=Cc3cccc(c3)N(=O)=O","n"]
["TCMDC-137516",2,50.36429872,"CCCN(CCC)C(C)CCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-137515",2,50.12992882,"CCCN(CCC)CCCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-123972",2,49.9823334,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3cccc(c3)N(=O)=O","n"]
["TCMDC-142050",2,48.92057569,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3cccc(n3)C","n"]
["TCMDC-142087",2,48.42886952,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccccc3N(=O)=O","n"]
["TCMDC-124244",2,45.94966821,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Oc4ccc5ccccc5c4Cl","n"]
["TCMDC-142240",2,44.75452196,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3ccccc3)Cl)OC)OC","n"]
["TCMDC-138029",2,43.24067301,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(cc4)C(=O)O.Cl","n"]
["TCMDC-137480",2,40.5490905,"CCOC(=O)N1CCN(CC1)CCCNc2c3ccc(cc3nc4c2cc(cc4)OC)Cl","n"]
["TCMDC-138978",2,40.25493945,"Cc1cc(c2cc(ccc2n1)OC)NC3Cc4ccccc4C3.Cl","n"]
["TCMDC-142143",2,39.00208666,"COc1ccc2c(c1)c(ccn2)NN=CC=Cc3ccccc3","n"]
["TCMDC-142083",2,38.03886025,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccccc3F","n"]
["TCMDC-142084",2,32.41958042,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3cccc(c3)F","n"]
["TCMDC-142132",2,32.12839082,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccc(cc3)F","n"]
["TCMDC-142110",2,31.24892334,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccccc3","n"]
["TCMDC-141961",2,30.81558859,"COc1ccc2c(c1)c(ccn2)N3CCN(CC3)CCNCc4ccc5c(n4)NC(=O)CO5.Cl","n"]
["TCMDC-137216",2,29.42835653,"COc1cc2c(ccnc2cc1OC)Nc3cccc(c3)Oc4ccccc4.Cl","n"]
["TCMDC-139304",2,29.240137,"CCCCCCCC1CC(CN1C(=O)OC(C)(C)C)CC(=O)Nc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-141228",2,28.37110482,"COc1ccc2c(c1)c(ccn2)NC(=O)C3CCC(CC3)NCc4ccc5c(c4)NC(=O)CS5","n"]
["TCMDC-142136",2,27.88416628,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccccc3N(=O)=O","n"]
["TCMDC-142033",2,25.13481126,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccncc3","n"]
["TCMDC-123983",2,24.80877471,"CCOc1ccc2c(c1)c(c3ccc(cc3n2)N)N.CC(C(=O)O)O","n"]
["TCMDC-142126",2,20.54130355,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccccc3Cl","n"]
["TCMDC-139305",2,20.33566434,"CCCCCCCC1CC(CN1)CC(=O)Nc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-124144",2,20.12146213,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCO","n"]
["TCMDC-138197",2,20.08307748,"Cc1ccc(cc1)C(=O)Nc2ccc(cc2O)Nc3ccnc4c3cc(c(c4)OC)OC.Cl","n"]
["TCMDC-124166",2,19.57144494,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Cl","n"]
["TCMDC-137622",2,19.17088547,"CCCCCCCNc1cc(nc2c1cc(cc2)OC)C.Cl","n"]
["TCMDC-123888",2,15.60777107,"CCN(CC)CCCC(C)Nc1ccnc2c1cc(cc2)OC.O.Cl","n"]
["TCMDC-142045",2,15.04186179,"COc1ccc2c(c1)c(cc(n2)c3ccccc3)NN=Cc4ccc(cc4)N(=O)=O","n"]
["TCMDC-124238",2,12.09465381,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Oc4ccc(c5c4cccc5)Br","n"]
["TCMDC-142125",2,11.83216783,"COc1ccc2c(c1)c(ccn2)NN=Cc3cccc(c3)Cl","n"]
["TCMDC-142036",2,11.78485348,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccc(o3)N(=O)=O","n"]
["TCMDC-133537",2,9.409645233,"COc1ccc2c(c1)c(ccn2)N3CCC(CC3)CCNCc4cc5c(cn4)OCCO5.Cl","n"]
["TCMDC-139276",2,8.68911982,"CCCCCCCN1CC[C@H]([C@H](C1)C=C)CCN(C)c2ccnc3c2cc(cc3)OC.C(=O)(C(=O)O)O","n"]
["TCMDC-124192",2,8.662770712,"CCCCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cc(cc3)OC)C","n"]
["TCMDC-138972",2,6.685314685,"Cc1cc(c2cc(ccc2n1)OC)NCCCc3ccccc3.Cl","n"]
["TCMDC-142130",2,6.104777024,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccccc3F","n"]
["TCMDC-138977",2,6.084887943,"Cc1cc(c2cc(ccc2n1)OC)NCc3ccc4ccccc4c3.Cl","n"]
["TCMDC-123856",2,5.815768931,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Oc4ccc(c5c4cccc5)Cl","n"]
["TCMDC-141962",2,5.258979956,"COc1ccc2c(c1)c(ccn2)N3CCN(CC3)CCNCc4ccc5c(n4)NC(=O)CS5.Cl","n"]
["TCMDC-142047",2,3.838939602,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3cccnc3","n"]
["TCMDC-123830",2,2.080520437,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccccc3","n"]
["TCMDC-125813",2,1.535836177,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(cc3)N4CCN(CC4)C","n"]
["TCMDC-142191",2,0.77297824,"CCCCCCCCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-124272",2,0.588235294,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCO.Cl","n"]
["TCMDC-141958",2,0.059484468,"COc1ccc2c(c1)c(c(cn2)Cl)N3CCC(CC3)CCNCc4ccc5c(n4)NC(=O)CS5.Cl","n"]
["TCMDC-138329",2,-1.262034869,"CCN(CC)CCCC(C)Nc1c2cc(ccc2nc3c1cc(c(c3)Cl)N(=O)=O)OC","n"]
["TCMDC-138196",2,-1.594410606,"Cc1cc(cc(c1)O)Nc2ccnc3c2cc(c(c3)OC)OC.Cl","n"]
["TCMDC-139072",2,-2.454282964,"c1ccc(cc1)CCCCCCOc2ccc3c(c2)c(ccn3)N.Cl","n"]
["TCMDC-142139",2,-3.01931683,"COc1ccc2c(c1)c(ccn2)NN=Cc3ccc(cc3)N(=O)=O","n"]
["TCMDC-139929",2,-3.335155823,"CCCCCCCN1CCC(C(C1)C(=O)OCC)NC(=O)Nc2ccnc3c2cc(cc3)OC.C(=O)(C(=O)O)O","n"]
["TCMDC-137665",2,-3.626754146,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCc4ccccc4.Cl","n"]
["TCMDC-137623",2,-4.592766068,"CCCCCCNc1cc(nc2c1cc(cc2)OC)C.Cl","n"]
["TCMDC-123487",2,-6.806906132,"CN(C)CCNc1cc(nc2c1cc(cc2)OC)c3ccccc3","n"]
["TCMDC-142041",2,-9.454483657,"COc1ccc2c(c1)c(cc(n2)c3ccccc3)NN=Cc4ccncc4","n"]
["TCMDC-142034",2,-10.09586579,"Cc1cccc(n1)C=NNc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-137674",2,-12.73628553,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(cc4)Oc5ccc(cc5)Nc6c7ccc(cc7nc8c6cc(cc8)OC)Cl.Cl","n"]
["TCMDC-138198",2,-13.1610722,"CC(=O)Nc1ccc(cc1)COc2ccc(cc2)Nc3ccnc4c3cc(c(c4)OC)OC.Cl","n"]
["TCMDC-123477",2,-13.34668837,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Oc4ccc(cc4)Cl","n"]
["TCMDC-124209",2,-14.34831601,"Cc1cc(c2cc(ccc2n1)OC)Nc3ccc(c(c3)Cl)Oc4ccc5ccccc5c4","n"]
["TCMDC-142032",2,-14.51454523,"COc1ccc2c(c1)c(ccn2)NN=Cc3cccnc3","n"]
["TCMDC-141905",2,-14.75886918,"COc1ccc2c(c1)c(ccn2)N3CCC(CC3)CCNCc4ccc5c(n4)NC(=O)CS5.Cl","n"]
["TCMDC-139843",2,-16.87105435,"CCCCCCCN(CCCCCCC)CCCC(=O)Nc1ccnc2c1cc(cc2)OC.C(=O)(C(=O)O)O","n"]
["TCMDC-142040",2,-17.36901338,"COc1ccc2c(c1)c(cc(n2)c3ccccc3)NN=Cc4ccc(o4)N(=O)=O","n"]
["TCMDC-138974",2,-17.79763342,"Cc1cc(c2cc(ccc2n1)OC)NCc3cccc4c3cccc4.Cl","n"]
["TCMDC-141555",2,-20.2639421,"COc1ccc2c(c1)c(ccn2)NC(=O)OC3CCC(CC3)NCc4ccc5c(n4)NC(=O)CS5","n"]
["TCMDC-142190",2,-21.51106833,"CCNc1c2ccc(cc2nc3c1cc(cc3)OC)Cl.Cl","n"]
["TCMDC-131917",2,-23.94580304,"COc1cc2c(ccnc2cc1OC)Nc3ccc(cc3)Oc4ccccc4.Cl","n"]
["TCMDC-142199",2,-25.98647125,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3cc(c(cc3OC)OC)OC","n"]
["TCMDC-142046",2,-27.59137208,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccncc3","n"]
["TCMDC-142094",2,-27.90788447,"CCOc1ccc2c(c1)c(cc(n2)C)NN=Cc3ccccc3","n"]
["TCMDC-139299",2,-28.0655456,"CCCCCCCN1CCC(C(C1)CC)CC(=O)Nc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-141904",2,-28.09706258,"COc1ccc2c(c1)c(ccn2)N3CCC(CC3)CCNCc4ccc5c(n4)NC(=O)CO5.Cl","n"]
["TCMDC-139969",2,-36.81784931,"CCCCCCCN1CCC(C(C1)CO)NC(=O)Nc2ccnc3c2cc(cc3)OC.C(=O)(C(=O)O)O","n"]
["TCMDC-142078",2,-47.03632887,"Cc1cc(c2cc(ccc2n1)OC)NN=Cc3ccccc3Cl","n"]
["TCMDC-137663",2,-68.79980681,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCc4ccccc4.Cl","n"]
["TCMDC-138105",2,-72.45641426,"COc1cc2c(ccnc2cc1OC)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F.Cl","n"]
["TCMDC-142013",2,-78.52549529,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(c(c4)CN5CC6CCC(C5)CC6)O.Cl","n"]
["TCMDC-137673",2,-84.83458102,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(cc4)Sc5ccc(cc5)Nc6c7ccc(cc7nc8c6cc(cc8)OC)Cl.Cl","n"]
["TCMDC-142241",2,-99.90671642,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3cccc(c3)C)Cl)OC)OC","n"]
["TCMDC-137672",2,-108.683248,"COc1ccc(cc1)Nc2c3ccc(cc3nc4c2cc(cc4)OC)Cl.Cl","n"]
["TCMDC-142145",2,-119.2101607,"CN(C)c1ccc(cc1)C=NNc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-142054",2,-145.051941,"CCOc1ccc2c(c1)c(cc(n2)c3ccccc3)NN=Cc4ccncc4","n"]
["TCMDC-139285",2,-190.1468958,"CCCCCCCN1CCC(CC1)C(CC=C)C(=O)Nc2ccnc3c2cc(cc3)OC","n"]
["TCMDC-132863",3,null,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132872",3,null,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-133940",3,104.4447227,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132998",3,102.5385483,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132541",3,99.24040512,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCCn5ccnc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132537",3,93.05703625,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCc5ccccn5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132336",3,92.30913877,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)C(=O)N5CCCCC5C(C)O","n"]
["TCMDC-132566",3,89.858742,"C=CCOC(=O)N1CCC(C1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132918",3,89.60135389,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132573",3,88.57881137,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCc5c[nH]c6c5cc(cc6)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132558",3,87.75193798,"CS(=O)(=O)c1ccc(cc1)CCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132552",3,86.9250646,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132559",3,86.66044776,"COCCN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132568",3,85.38113006,"CCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132551",3,85.21347189,"CN1CCC(CC1)NCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132502",3,84.23285811,"CCN(CC(C)O)C(=O)c1ccc(cc1)c2cccc(c2)c3[nH]c4c(cccc4n3)C","n"]
["TCMDC-132854",3,81.47799925,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132344",3,80.2745393,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132836",3,79.4480909,"CNCCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132826",3,78.68174297,"CNCCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133795",3,73.82790954,"CN(C)CCN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132948",3,73.3706721,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132555",3,70.66897655,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133121",3,70.64685972,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132570",3,70.11197244,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cccc(c5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132990",3,70.04389173,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133840",3,68.956743,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133883",3,67.79930596,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132553",3,67.12491514,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132710",3,64.93042497,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133838",3,61.76241632,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132547",3,59.79477612,"CC(C)CNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133880",3,58.5753657,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132542",3,58.53574505,"CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133879",3,58.34923327,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133881",3,56.16627019,"CN1CCC(CC1)N2CCN(CC2)Cc3ccc(cc3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132548",3,54.17209539,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCCN5CCOCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133843",3,52.56041067,"CN1CCC(CC1)N2CCN(CC2)Cc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132569",3,52.47200689,"Cn1cncc1CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132572",3,48.88888889,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNC5CCOCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133916",3,44.74368983,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132729",3,40.54864667,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133942",3,39.55445904,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132739",3,37.23242145,"CC(C)NCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132991",3,36.61132397,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133794",3,34.21645998,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132546",3,33.45391904,"COc1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133007",3,31.8917391,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133885",3,25.19729425,"CC(=O)N(C)C1CCN(C1)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132964",3,25.03192848,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133024",3,24.38202247,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132561",3,23.76066098,"CN(CCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3)S(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132679",3,21.91060473,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCN(CC5)c6cnccn6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132697",3,21.77528853,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132539",3,20.34914712,"CN(C)CCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132333",3,18.42721287,"CC(C1CCCCN1C(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F)O","n"]
["TCMDC-132545",3,18.29363226,"c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132897",3,17.90409415,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132571",3,17.42176553,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5ccc(s5)c6ccccn6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132904",3,15.15753526,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133060",3,13.66396761,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132560",3,11.65288672,"CC(C)(C)OC(=O)C1CCCN(C1)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133039",3,9.600174153,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCC5CCN(C5)C(=O)OCC=C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132753",3,7.955783902,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132684",3,7.889882219,"Cn1cccc1CCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133845",3,7.403486485,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132356",3,7.307973665,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)C(=O)NCc5nccn5C","n"]
["TCMDC-132357",3,7.086515588,"Cn1ccnc1CNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133077",3,6.507674743,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132540",3,6.461538462,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133087",3,6.296673456,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133918",3,6.117117771,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132556",3,5.695801091,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133026",3,5.684236885,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132567",3,5.675184849,"CN(C)CCN(C)Cc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132505",3,5.091078935,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)C(=O)NCc5ccccc5S(=O)(=O)C","n"]
["TCMDC-132554",3,4.222337528,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCc5cccnc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132737",3,4.072053787,"CC(C)NCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133887",3,2.750163268,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132543",3,2.509488472,"Cn1cccc1CCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133044",3,2.158010241,"C=CCOC(=O)N1CCC(C1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132493",3,1.104608632,"Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132562",3,-0.144369586,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133105",3,-0.638330998,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132497",3,-1.155793294,"Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133836",3,-1.75961402,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132846",3,-3.627588354,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132354",3,-5.333667209,"Cn1ccnc1CNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-132930",3,-5.493070169,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133917",3,-5.732936001,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133032",3,-6.535620383,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133051",3,-9.880820399,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132563",3,-10.09474591,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5ccsc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132550",3,-10.92161929,"CC(C)NCc1ccc(cc1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132557",3,-11.29418814,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132549",3,-11.63379531,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132973",3,-12.57528481,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133815",3,-14.66511864,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132750",3,-14.96185583,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132965",3,-15.49595573,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cnn(n5)c6ccccc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133103",3,-16.51391718,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132898",3,-16.6298952,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5ccc(cc5)S(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133130",3,-16.83168317,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132321",3,-17.02317291,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)C(=O)NCCN5CCCC5","n"]
["TCMDC-133813",3,-17.46335245,"CC1CN(CC(O1)C)Cc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132495",3,-19.92272398,"Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccccc5n4","n"]
["TCMDC-132348",3,-20.69548418,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132731",3,-22.42136064,"COc1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132752",3,-22.51680832,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133052",3,-22.75344851,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cccc(c5)c6c(noc6C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133016",3,-24.64520849,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132490",3,-25.2304316,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)C(=O)NCCc5ccc(c(=O)[nH]5)O","n"]
["TCMDC-132845",3,-28.77820349,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132721",3,-29.8364745,"COc1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132804",3,-34.4365241,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCC#C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132689",3,-35.17922458,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4ccc(cc4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133006",3,-36.48648649,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132947",3,-37.36367055,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132565",3,-39.99200426,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132564",3,-40.4184435,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132538",3,-44.27217916,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNC5CC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132937",3,-46.53810098,"c1cc(cc(c1)N)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132504",3,-46.90964523,"CS(=O)(=O)c1ccccc1CNC(=O)c2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132712",3,-50.8632041,"c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132702",3,-56.97556008,"c1ccc(cc1)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132929",3,-69.76018164,"c1cc(cc(c1)N)CNCc2ccc(cc2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132924",3,-75.75464864,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4ccc(cc4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132864",4,null,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132867",4,null,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-133933",4,113.9823497,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132815",4,106.4497932,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133891",4,104.2113386,"CN1CCCC(C1)CN2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133842",4,103.9910021,"CN1CCC(CC1)N2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133941",4,100.4382121,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133841",4,98.09707667,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133858",4,97.12297856,"CN1CCC(CC1)N2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132831",4,94.00882553,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCNC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132811",4,93.88858093,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133011",4,85.88832154,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132861",4,85.04752206,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132934",4,83.1300179,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132834",4,79.69796045,"CNCCNCc1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132718",4,76.66415946,"COc1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133123",4,76.36329447,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133857",4,75.96929482,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CNCCN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133882",4,68.40025494,"CN1CCCC(C1)CN2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132704",4,67.93907484,"c1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133888",4,60.97157964,"CN1CCCC(C1)CN2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133839",4,50.43459826,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133837",4,42.55918828,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(C5)N.Cl","n"]
["TCMDC-133853",4,40.40339972,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132921",4,36.64911621,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133850",4,29.34073895,"CN1CCC(CC1)N2CCN(CC2)Cc3cccc(c3)c4ccc(cc4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133846",4,28.29416331,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132700",4,26.72057164,"c1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133894",4,26.70934119,"CC(=O)N(C)C1CCN(C1)Cc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132952",4,25.58670557,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132839",4,24.40706012,"CNCCNCc1cccc(c1)c2ccc(cc2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132746",4,23.30019592,"CC(C)NCc1cccc(c1)c2ccc(cc2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133848",4,22.08342155,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132993",4,21.60586687,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132996",4,21.42101785,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133855",4,20.47205145,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132758",4,19.90359,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132682",4,17.36295581,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCN(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132913",4,17.13972202,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132986",4,13.97960353,"CNc1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133818",4,13.22548602,"CC1CN(CC(O1)C)Cc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132492",4,7.487166646,"Cn1cc(nc1)CCNC(=O)c2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133937",4,5.420506494,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133040",4,4.147768837,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCC5CCN(C5)C(=O)OCC=C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133031",4,3.480656066,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133820",4,3.121895842,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132916",4,2.40185763,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132324",4,-2.76063657,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)C(=O)NCCN5CCCC5","n"]
["TCMDC-133082",4,-3.876693134,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCCNS(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132337",4,-4.747622531,"CC(C1CCCCN1C(=O)c2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F)O","n"]
["TCMDC-133098",4,-5.371321812,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132959",4,-6.073711922,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133822",4,-6.554371491,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132345",4,-7.322604243,"c1cc(cc(c1)C(=O)N2CCCCC2CN3CCC(C3)O)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F","n"]
["TCMDC-133042",4,-7.537248028,"C=CCOC(=O)N1CCC(C1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133029",4,-7.663525499,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133890",4,-8.246001103,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132694",4,-8.961228969,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133844",4,-10.09951302,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133056",4,-10.4779698,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5cccc(c5)c6c(noc6C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133943",4,-11.40911026,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133936",4,-11.5303679,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133934",4,-11.77606178,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133014",4,-13.71633193,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132726",4,-14.09368071,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133023",4,-14.54864154,"COCCN1CCN(CC1)Cc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132850",4,-15.08640822,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133079",4,-16.42775593,"CS(=O)(=O)NCCCNCc1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132325",4,-16.55189683,"c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-133860",4,-16.76194509,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133095",4,-18.45744006,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133896",4,-18.48311026,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133112",4,-19.50286807,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132971",4,-20.03689513,"c1ccc(cc1)n2ncc(n2)CNCc3cccc(c3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133817",4,-22.44394456,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132707",4,-22.48811948,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132691",4,-22.65544989,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133939",4,-22.80750138,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133852",4,-22.87498226,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132979",4,-24.36459246,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5ccc(cc5)NC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132334",4,-28.97207963,"CC(C1CCCCN1C(=O)c2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F)O","n"]
["TCMDC-133019",4,-30.96561814,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132723",4,-32.28688723,"COc1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132856",4,-34.47695684,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132506",4,-36.65409804,"CS(=O)(=O)c1ccccc1CNC(=O)c2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132955",4,-38.34834454,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132761",4,-39.05295316,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133884",4,-40.19165727,"CC(=O)N(C)C1CCN(C1)Cc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132935",4,-40.76007931,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132322",4,-42.5942156,"c1cc(cc(c1)C(=O)NCCN2CCCC2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-133886",4,-44.08875698,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132940",4,-44.429123,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132742",4,-56.16089613,"CC(C)NCc1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133814",4,-59.42954449,"c1cc(cc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132902",4,-71.66227905,"CS(=O)(=O)c1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132982",4,-73.95258201,"CNc1ccc(cc1)CNCc2cccc(c2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133816",4,-91.6436845,"CC1CN(CC(O1)C)Cc2cccc(c2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133063",4,-100.5453178,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4ccc(cc4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133872",5,null,"c1cc(ccc1CN2CCC(C2)N)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","y"]
["TCMDC-133929",5,113.9674051,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133924",5,105.4463503,"c1cc(ccc1CN2CCC(CC2)CCN3CCCCC3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133868",5,102.2376833,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132866",5,95.8082741,"c1cc(ccc1CNCCN2CCNCC2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133903",5,95.28336115,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133863",5,93.39975973,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133898",5,93.24754193,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CC6CCCN(C6)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133908",5,90.05877658,"CN1CCCC(C1)CN2CCN(CC2)Cc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133017",5,85.49427816,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132984",5,83.67161072,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5ccc(cc5)NC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133865",5,83.09431881,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)C6CCN(CC6)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132832",5,83.06824754,"CNCCNCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132865",5,81.47172949,"c1cc(ccc1CNCCN2CCNCC2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132730",5,80.87626927,"COc1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132837",5,80.14135255,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCCNC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132957",5,77.26588943,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132999",5,66.58152405,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132338",5,65.53215495,"CC(C1CCCCN1C(=O)c2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F)O","n"]
["TCMDC-132994",5,65.53215495,"c1cc(ccc1CN2CCCC2CN)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132813",5,65.28547672,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132705",5,55.90447537,"c1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132905",5,55.00188041,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5ccc(cc5)S(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132995",5,50.60806345,"c1cc(ccc1CN2CCCC2CN)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132969",5,45.67506581,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132953",5,44.17074088,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132681",5,40.3405534,"CN(C)CCNCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132760",5,37.39172281,"c1cc(ccc1CNCCCN2CCCC2=O)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133097",5,36.167685,"c1cc(ccc1CNCC2CCCO2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133826",5,35.5896126,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132810",5,33.23144522,"c1cc(ccc1CN)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133906",5,32.63800199,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132833",5,32.24645353,"CNCCNCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133125",5,29.72922151,"c1cc(ccc1CN2CCC(CC2)CO)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132974",5,25.92278919,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5cnn(n5)c6ccccc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133825",5,20.48814025,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCOCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132919",5,17.40175382,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132803",5,16.21751684,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCC(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133058",5,15.98470363,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133830",5,15.50018781,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132740",5,14.25813569,"CC(C)NCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133057",5,12.39375872,"Cc1c(c(on1)C)c2cccc(c2)CNCc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132688",5,10.12073864,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133824",5,10.09139852,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCCC5CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133931",5,6.929830927,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132320",5,6.886190059,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=O)NCCN5CCCC5","n"]
["TCMDC-132491",5,5.884562414,"Cn1cc(nc1)CCNC(=O)c2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F","n"]
["TCMDC-132855",5,4.839997097,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133033",5,4.82959723,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132693",5,4.410522897,"c1cc(ccc1CN2CCC(CC2)C(=O)N)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132763",5,3.747609943,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133926",5,-0.410528858,"c1cc(ccc1CN2CCN(CC2)CCN3CCOCC3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133823",5,-0.732893114,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CC(OC(C5)C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132915",5,-1.262034869,"c1cc(ccc1CN2CCN(CC2)c3ccncc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133901",5,-1.455099778,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133905",5,-1.75961402,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCC(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132720",5,-4.274682846,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132724",5,-6.920026438,"COc1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133025",5,-7.937899086,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132706",5,-8.739201202,"c1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133093",5,-8.858788728,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133833",5,-10.21337497,"c1cc(ccc1CN2CCCC(C2)O)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132678",5,-10.34180543,"c1cc(ccc1CN2CCN(CC2)c3cnccn3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133061",5,-10.96661248,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5cccc(c5)c6c(noc6C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133867",5,-11.36676254,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CCC#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132503",5,-12.33566434,"CCN(CC(C)O)C(=O)c1ccc(cc1)c2ccc(cc2)c3[nH]c4c(cccc4n3)C","n"]
["TCMDC-133124",5,-13.18026132,"c1cc(ccc1CN2CCC(CC2)CO)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133113",5,-14.21454149,"c1cc(ccc1CN2CCN(CC2)c3ccc(cn3)C#N)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133096",5,-14.33909388,"c1cc(ccc1CNCC2CCCO2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133030",5,-14.69641551,"c1cc(ccc1CN2CCN(CC2)CCO)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132970",5,-15.09966153,"c1ccc(cc1)n2ncc(n2)CNCc3ccc(cc3)c4ccc(cc4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133831",5,-15.74738003,"CC1CN(CC(O1)C)Cc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132701",5,-18.63910422,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132901",5,-22.07022677,"CS(=O)(=O)c1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133022",5,-25.91161555,"COCCN1CCN(CC1)Cc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132851",5,-25.93269934,"c1cc(ccc1CNCCc2ccncc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133928",5,-28.02393685,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132711",5,-28.39063643,"c1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132938",5,-30.59457925,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133012",5,-30.72339246,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132759",5,-31.1778683,"c1cc(ccc1CNCCCN2CCCC2=O)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133080",5,-31.8041958,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133829",5,-32.19650243,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCCC(C5)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133013",5,-32.96367113,"Cn1c(ccn1)C(=O)NCCNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133828",5,-35.16271373,"CC1CN(CC(O1)C)Cc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132954",5,-38.92738359,"COC(=O)c1cccc(c1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132741",5,-41.37931034,"CC(C)NCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132744",5,-47.89394509,"Cc1cccc2c1[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CNC(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133927",5,-51.35331253,"c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132725",5,-52.3786525,"COc1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132852",5,-64.16826004,"c1cc(ccc1CNCCc2ccncc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133041",5,-74.04532365,"C=CCOC(=O)N1CCC(C1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133081",5,-74.35505771,"CS(=O)(=O)NCCCNCc1ccc(cc1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132980",5,-78.33161453,"CNc1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132692",5,-81.8916886,"c1cc(ccc1CN2CCC(CC2)C(=O)N)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133910",5,-143.7120794,"c1cc(ccc1CN2CCCCC2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132349",5,-165.5974202,"c1cc(ccc1c2ccc(cc2)C(=O)N3CCCCC3CN4CCC(C4)O)c5[nH]c6ccc(cc6n5)F","n"]
["TCMDC-132981",5,-167.5199227,"CNc1ccc(cc1)CNCc2ccc(cc2)c3ccc(cc3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133920",6,null,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCC(CC5)CCN6CCCCC6.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132859",6,null,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132860",6,null,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","y"]
["TCMDC-132873",6,107.971353,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132922",6,104.5994569,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132825",6,101.0589916,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCNC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133912",6,100.2709048,"CN1CCCC(C1)CN2CCN(CC2)Cc3cccc(c3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133001",6,98.6273035,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132816",6,98.02557352,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132858",6,84.48664912,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132871",6,79.56101348,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCN5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132847",6,78.2586558,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133104",6,76.66415946,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132817",6,74.49158742,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5ccc(cc5)CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133875",6,72.93477493,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133878",6,70.7858646,"CN1CCC(CC1)N2CCN(CC2)Cc3cccc(c3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132840",6,70.04512975,"CNCCNCc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132818",6,68,"CN(CCN)Cc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132928",6,56.62143531,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133877",6,56.31404141,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCCC(C5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132827",6,52.85204991,"CNCCNCc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132989",6,49.3552022,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCCC5CN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132822",6,48.31075821,"CN(CCN)Cc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132910",6,41.93881059,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133129",6,41.0556687,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132680",6,40.54576189,"CN(C)CCNCc1cccc(c1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132923",6,40.29233315,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132735",6,38.82727852,"CN1CCC(CC1)NCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132748",6,37.60356915,"CC(C)NCc1cccc(c1)c2cccc(c2)c3[nH]c4ccccc4n3.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132961",6,33.2322118,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132339",6,25.33284565,"CC(C1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F)O","n"]
["TCMDC-132496",6,22.80932681,"Cn1cc(nc1)CCNC(=O)c2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F","n"]
["TCMDC-132323",6,21.10930262,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)C(=O)NCCN5CCCC5","n"]
["TCMDC-133118",6,18.88874794,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132335",6,13.24455992,"CC(C1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F)O","n"]
["TCMDC-133008",6,12.03831362,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132713",6,10.67824123,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5ccccc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132313",6,8.745145306,"CC(C1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4)O","n"]
["TCMDC-132963",6,7.889882219,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5cnn(n5)c6ccccc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132946",6,7.725485221,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5cccc(c5)C(=O)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132312",6,7.190929042,"CN1CCC(CC1)N2CCN(CC2)C(=O)c3cccc(c3)c4cccc(c4)c5[nH]c6ccccc6n5","n"]
["TCMDC-132960",6,6.260844419,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132347",6,6.025118805,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132751",6,3.721002647,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132844",6,3.347345477,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132949",6,2.49490835,"COC(=O)c1cccc(c1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133065",6,2.096587623,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4cccc(c4)c5[nH]c6ccccc6n5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133090",6,0.607192901,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132350",6,0.168251646,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)F)c4cccc(c4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132976",6,-2.640819312,"c1ccc(cc1)n2ncc(n2)CNCc3cccc(c3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132311",6,-3.437777496,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-133835",6,-3.731062977,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCCCC5CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133005",6,-4.374902693,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCNC(=O)c5ccnn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132899",6,-4.853900024,"CS(=O)(=O)c1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133117",6,-5.620426592,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133046",6,-7.737573557,"C=CCOC(=O)N1CCC(C1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132896",6,-8.610095099,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5ccc(cc5)S(=O)(=O)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132738",6,-9.932766713,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNC(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133086",6,-10.10431263,"CS(=O)(=O)NCCCNCc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132942",6,-10.9498585,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132907",6,-11.6532553,"CS(=O)(=O)c1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133922",6,-15.36172992,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCN(CC5)CCN6CCOCC6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132346",6,-18.6759327,"c1cc(cc(c1)c2[nH]c3ccc(cc3n2)C(F)(F)F)c4cccc(c4)C(=O)N5CCCCC5CN6CCC(C6)O","n"]
["TCMDC-132685",6,-19.67525054,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCCc5cccn5C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133038",6,-20.08037694,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCC5CCN(C5)C(=O)OCC=C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132754",6,-20.14962242,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132941",6,-20.23800885,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132698",6,-20.89306102,"c1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133064",6,-20.89306102,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4cccc(c4)c5[nH]c6ccc(cc6n5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133109",6,-21.68768488,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)c6ccc(cn6)C#N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133131",6,-22.29767184,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCC(CC5)CO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133035",6,-22.29767184,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)CCO.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133045",6,-22.96231376,"C=CCOC(=O)N1CCC(C1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132676",6,-22.96231376,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCN(CC5)c6cnccn6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133075",6,-24.92604702,"CS(=O)(=O)NCCCNCc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132716",6,-25.61800677,"COc1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132747",6,-26.37320817,"CC(C)NCc1cccc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133053",6,-28.50609756,"Cc1c(c(on1)C)c2cccc(c2)CNCc3cccc(c3)c4cccc(c4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132911",6,-29.27698574,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCN(CC5)c6ccncc6.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133091",6,-32.27463802,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133020",6,-34.0541557,"Cn1c(ccn1)C(=O)NCCNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132686",6,-35.60144124,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132765",6,-41.49151487,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCCCN5CCCC5=O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132966",6,-44.07148032,"c1ccc(cc1)n2ncc(n2)CNCc3cccc(c3)c4cccc(c4)c5[nH]c6ccc(cc6n5)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132857",6,-45.4870252,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)F)CNCCc5ccncc5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132717",6,-45.7830475,"COc1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132355",6,-47.29221512,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)C(=O)NCc5nccn5C","n"]
["TCMDC-133050",6,-47.46891002,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5cccc(c5)c6c(noc6C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133914",6,-55.80624602,"c1ccc2c(c1)[nH]c(n2)c3cccc(c3)c4cccc(c4)CN5CCCCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133102",6,-56.00659647,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCC5CCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132699",6,-56.66574279,"c1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132732",6,-64.20454545,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)CNCc5ccc(cc5)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132696",6,-65.64497932,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CN5CCC(CC5)C(=O)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132494",6,-97.58512437,"Cc1cccc2c1[nH]c(n2)c3cccc(c3)c4cccc(c4)C(=O)NCCc5cn(cn5)C","n"]
["TCMDC-132908",6,-101.1470478,"CS(=O)(=O)c1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccccc5n4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132728",6,-117.677882,"COc1ccc(cc1)CNCc2cccc(c2)c3cccc(c3)c4[nH]c5ccc(cc5n4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-132931",6,-134.3550447,"c1cc(cc(c1)c2cccc(c2)c3[nH]c4ccc(cc4n3)C(F)(F)F)CNCc5cccc(c5)N.C(=O)(C(F)(F)F)O","n"]
["TCMDC-123865",7,null,"COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","y"]
["TCMDC-138718",7,145.0883907,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5ccc(cc5)Cl","n"]
["TCMDC-138721",7,127.0242915,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5ccc(cc5)C(=O)OC","n"]
["TCMDC-138177",7,117.8941394,"CC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)NCc3cccc(c3)CNc4nc5cc(c(cc5c(n4)N)OC)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-138754",7,114.9528825,"Cc1nc(no1)c2ccc(cc2)c3ccc(cc3)C(=O)NCC4CCN(CC4)c5nc6cc(c(cc6c(n5)N)OC)OC","n"]
["TCMDC-138716",7,114.5562731,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5ccc(cc5)C(F)(F)F","n"]
["TCMDC-132012",7,112.9132835,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)NCCCN4CCCCC4","n"]
["TCMDC-138723",7,112.2173194,"COc1cc2c(cc1OC)nc(nc2N)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-138255",7,110.2326114,"COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)Oc4ccccc4)NCCCO","n"]
["TCMDC-135301",7,108.0285807,"COc1cc2c(cc1OC)nc(nc2NCCCc3ccccc3)NCCc4ccccc4","n"]
["TCMDC-138020",7,106.8408388,"COc1cc2c(cc1OC)nc(nc2Nc3ccc4c(c3)cnn4Cc5ccccc5)Nc6ccc7c(c6)cnn7Cc8ccccc8","n"]
["TCMDC-138155",7,105.8619734,"Cc1cc(ccc1c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC)c6nc(on6)C","n"]
["TCMDC-138735",7,105.2463332,"Cc1cc(ccc1c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC)C#N","n"]
["TCMDC-132016",7,104.6968514,"COc1ccc(cc1OC)CNc2nc3cc(c(cc3c(n2)NCc4ccc(cc4)C(F)(F)F)OC)OC","n"]
["TCMDC-138494",7,104.0440716,"COc1cc2c(cc1OC)nc(nc2NCc3ccccn3)N4CCC(CC4)CCCC5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-138186",7,103.1402783,"COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4c(snc4Cl)c5ccccc5Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-131893",7,102.4381434,"COc1ccc(cc1OC)CNc2nc3cc(c(cc3c(n2)NCc4ccccc4)OC)OC","n"]
["TCMDC-138184",7,101.0692464,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4cccc5c4[nH]cc5","n"]
["TCMDC-135459",7,100.1316284,"Cc1c(cnn1C)CNc2c3cc(c(cc3nc(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-138760",7,100.1316284,"CN(C)CCOc1cc(ccc1c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC)C(=O)N(C)C","n"]
["TCMDC-131895",7,98.02752945,"COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4cccc(c4)I","n"]
["TCMDC-135300",7,97.53166613,"COc1cc2c(cc1OC)nc(nc2NCc3ccc(cc3)C#N)NCCc4ccccc4","n"]
["TCMDC-135435",7,96.72437203,"Cc1cc(on1)CNc2c3cc(c(cc3nc(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-132017",7,95.97271842,"COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)NCc4ccccc4)OC)OC","n"]
["TCMDC-138237",7,94.62877175,"COc1cc2c(cc1OC)nc(nc2Nc3ccc4c(c3)ccn4Cc5ccccc5)Nc6ccc7c(c6)ccn7Cc8ccccc8","n"]
["TCMDC-138757",7,94.11432869,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNCc4ccc(cc4)c5ccc(cc5)C(F)(F)F","n"]
["TCMDC-138540",7,91.22323776,"Cc1ccc(cc1)Nc2c3cc(c(cc3nc(n2)Nc4ccc(cc4)C)OC)OC.Cl","n"]
["TCMDC-135266",7,90.56263858,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)NCCc4cccc(c4)Cl","n"]
["TCMDC-132019",7,85.75684657,"COc1ccc(cc1OC)CNc2nc3cc(c(cc3c(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-131886",7,84.08795212,"COc1cc2c(cc1OC)nc(nc2N)NC3CCN(CC3)Cc4ccccc4","n"]
["TCMDC-138712",7,79.47616408,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)NC(=O)c5ccc(cc5)Cl","n"]
["TCMDC-138730",7,76.59368071,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5cccc(c5)C#N","n"]
["TCMDC-138752",7,72.55600815,"CN(C)C(=O)c1ccc(c(c1)O)c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-138153",7,71.85031967,"CC1CN(CC(N1C(=O)Cc2ccc(cc2)c3ccccc3)C)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-135267",7,71.62162162,"COc1cccc(c1)CCNc2nc3cc(c(cc3c(n2)NCc4ccccc4)OC)OC","n"]
["TCMDC-138210",7,69.29735234,"CC(=O)c1ccc(cc1)C(=O)NCC2CCN(CC2)c3nc4cc(c(cc4c(n3)N)OC)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-135471",7,66.44475921,"Cc1nccn1CCNc2nc3cc(c(cc3c(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-138256",7,65.94732992,"COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)Oc4ccccc4)NCc5ccc(cc5)S(=O)(=O)N","n"]
["TCMDC-131890",7,62.52350508,"CN(Cc1cc2c(s1)cccc2Cl)c3nc4cc(c(cc4c(n3)N)OC)OC.Cl","n"]
["TCMDC-137183",7,59.63103014,"CN(C)c1nc2cc(c(cc2c(n1)Nc3ccc(cc3)OCc4ccccc4)OC)OC","n"]
["TCMDC-132014",7,59.53936061,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)NCC4CCCCC4","n"]
["TCMDC-138719",7,58.63359202,"CN(C)C(=O)c1ccc(cc1)c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-135473",7,52.47994577,"Cc1cc(n(n1)CCNc2nc3cc(c(cc3c(n2)NCCc4ccccc4)OC)OC)C","n"]
["TCMDC-132028",7,52.37853609,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)N4CCN(CC4)C(=O)c5ccco5","n"]
["TCMDC-135384",7,51.55621427,"CC(c1ccccc1)Nc2c3cc(c(cc3nc(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-135472",7,50.25634613,"COc1cc2c(cc1OC)nc(nc2NCCc3ccccc3)NCCn4cccn4","n"]
["TCMDC-131896",7,48.14145294,"CNCc1ccc(cc1)CN(C)c2nc3cc(c(cc3c(n2)N)OC)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-138742",7,39.2061534,"CN(C)C(=O)c1ccc(cc1)c2ccc(cc2OCCO)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-131892",7,36.74996829,"COc1cc2c(cc1OC)nc(nc2N)NCc3[nH]c4ccccc4n3.Cl","n"]
["TCMDC-138163",7,35.6245757,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)/C=C/c4ccccc4F.Cl","n"]
["TCMDC-135436",7,24.40706012,"COc1cc2c(cc1OC)nc(nc2NCc3nccs3)NCCc4ccccc4","n"]
["TCMDC-138165",7,19.29468476,"CCC(=Cc1cccc(c1)N(=O)=O)C(=O)NCC2CCN(CC2)c3nc4cc(c(cc4c(n3)N)OC)OC.Cl","n"]
["TCMDC-131894",7,19.01518377,"CN(c1nc2cc(c(cc2c(n1)N)OC)OC)C3CCN(CC3)Cc4ccccc4","n"]
["TCMDC-132023",7,16.0506658,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)N4CCC(CC4)C(=O)N","n"]
["TCMDC-138724",7,15.39634146,"Cc1cc(ccc1c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N6CCN(CC6)C)OC)OC)C(=O)N(C)C","n"]
["TCMDC-138713",7,15.39634146,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5ccc(cc5)C#N","n"]
["TCMDC-138181",7,14.63053144,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4cccc5c4nccc5","n"]
["TCMDC-138082",7,11.59619571,"CN(C)c1nc2cc(c(cc2c(n1)Nc3ccc4c(c3)cnn4Cc5ccccc5)OC)OC","n"]
["TCMDC-131891",7,10.29172405,"CC(c1ccc(cc1)OC)Nc2nc3cc(c(cc3c(n2)N)OC)OC.Cl","n"]
["TCMDC-131899",7,9.33427762,"CC(C)(C)OC(=O)N(c1ccc(cc1)C(=O)N2CCN(CC2)c3nc4cc(c(cc4c(n3)N)OC)OC)C(=O)OC(C)(C)C","n"]
["TCMDC-132024",7,6.921049616,"COc1cc2c(cc1OC)nc(nc2NCc3ccccc3)N[C@@H](CO)c4ccccc4","n"]
["TCMDC-138729",7,5.196784922,"Cc1cc(ccc1c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)NCCOC)OC)OC)C(=O)N(C)C","n"]
["TCMDC-131888",7,1.230496004,"COc1ccc(cc1)CCNc2nc3cc(c(cc3c(n2)N)OC)OC.Cl","n"]
["TCMDC-138189",7,0.318736142,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4cc5ccccc5s4","n"]
["TCMDC-131881",7,-0.962530079,"COc1ccc(cc1OC)Nc2nc3cc(c(cc3c(n2)N)OC)OC.Cl","n"]
["TCMDC-136497",7,-1.844018506,"COc1cc2c(cc1OC)nc(nc2NCc3ccc(=O)[nH]c3)N4CCC(CC4)c5ccccc5","n"]
["TCMDC-138156",7,-2.985390642,"Cc1cccc(c1)/C=C/C(=O)NCC2CCN(CC2)c3nc4cc(c(cc4c(n3)N)OC)OC","n"]
["TCMDC-137787",7,-6.004354303,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)c5ccccc5","n"]
["TCMDC-138213",7,-9.659090909,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4cc(c(s4)Br)Br.C(=O)(C(F)(F)F)O","n"]
["TCMDC-125298",7,-12.0910183,"Cc1ccc(c(c1)N2CCN(CC2)c3nc4cc(c(cc4c(n3)N)OC)OC)C.Cl","n"]
["TCMDC-138238",7,-17.62253109,"COc1cc2c(cc1OC)nc(nc2Nc3ccc(cc3)Oc4ccccc4)Nc5ccc(cc5)Oc6ccccc6","n"]
["TCMDC-138766",7,-18.75,"CN(C)C(=O)c1ccc(c(c1)OCCO)c2ccc(cc2)C(=O)NCC3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC","n"]
["TCMDC-131889",7,-22.31383991,"CN(CC1COc2ccccc2O1)c3nc4cc(c(cc4c(n3)N)OC)OC.Cl","n"]
["TCMDC-138182",7,-26.73226164,"Cc1cc(ccc1c2ccc(cc2)C(=O)N3CCC(CC3)CNc4nc5cc(c(cc5c(n4)N)OC)OC)C(=O)N(C)C","n"]
["TCMDC-138211",7,-26.96182773,"COc1cc2c(cc1OC)nc(nc2N)N3CCC(CC3)CNC(=O)c4ccc(cc4)OC(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-131898",7,-39.77059045,"CN(Cc1cccc(c1)I)c2nc3cc(c(cc3c(n2)N)OC)OC","n"]
["TCMDC-131882",7,-45.81056466,"COc1cc2c(cc1OC)nc(nc2N)Nc3ccc4c(c3)OCCO4.Cl","n"]
["TCMDC-131887",7,-85.17527087,"CC1CN(CCN1c2ccc(cc2)OC)c3nc4cc(c(cc4c(n3)N)OC)OC.Cl","n"]
["TCMDC-131884",7,-87.65287536,"COc1cc(cc(c1)OC)Nc2nc3cc(c(cc3c(n2)N)OC)OC.Cl","n"]
["TCMDC-131883",7,-106.1917047,"COc1cc2c(cc1OC)nc(nc2N)Nc3ccc(cc3)N4CCOCC4.Cl","n"]
["TCMDC-135385",7,-111.4329268,"CN(Cc1ccccc1)c2c3cc(c(cc3nc(n2)NCCc4ccccc4)OC)OC","n"]
["TCMDC-134446",8,null,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)Cl.C(=O)(C(F)(F)F)O","y"]
["TCMDC-134444",8,110.8221797,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134436",8,107.7067398,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134437",8,107.7067398,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134439",8,107.2666025,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134442",8,107.0139991,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134441",8,105.6285178,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134443",8,104.8406546,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134430",8,102.08441,"CCc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134435",8,101.933901,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134422",8,101.5331611,"c1cc(cc(c1)C(F)(F)F)c2cc(sc2)C(=O)NCC3CCN(C3)CC4CCCCC4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134447",8,100.0563698,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134432",8,99.62476548,"CCc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134424",8,97.39879414,"CN(C)c1ccc(cc1)c2cc(sc2)C(=O)NCC3CCN(C3)CC4CCCCC4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134431",8,96.1610622,"CCc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134445",8,95.90952839,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134438",8,95.04900017,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134451",8,95.04900017,"CN(C)c1ccc(cc1)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccccc4OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134448",8,91.93912063,"CCc1ccccc1c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccc(cc4)C(C)(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134434",8,86.46269303,"CCc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134449",8,80.70259865,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccc(cc4)N(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134460",8,78.38071872,"CSc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134425",8,78.38070629,"CC(C)(C)CCN1CCC(C1)CNC(=O)c2cc(cs2)c3cccc(c3)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134440",8,77.05749718,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccc(cc4)N(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134433",8,74.35033686,"CCc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134453",8,72.60787992,"CN(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134454",8,71.45331217,"CN(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133529",8,65.98913097,"Cc1ccccc1C2CCN(CC2)C3CCC(CC3)NC(=O)c4cc(cs4)c5ccc(cc5)Cl","n"]
["TCMDC-134427",8,60.59751973,"CC(C)(C)CCN1CCC(C1)CNC(=O)c2cc(cs2)c3ccc(cc3)N(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134484",8,54.36570934,"c1cc(cc(c1)C(F)(F)F)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134483",8,53.90388223,"c1cc(cc(c1)C(F)(F)F)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134485",8,50.20926541,"c1cc(cc(c1)C(F)(F)F)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134455",8,49.97835185,"CN(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134486",8,49.2856112,"CN(C)c1ccc(cc1)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134423",8,42.83045306,"c1cc(cc(c1)Cl)c2cc(sc2)C(=O)NCC3CCN(C3)CC4CCCCC4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134426",8,39.670311,"CC(C)(C)CCN1CCC(C1)CNC(=O)c2cc(cs2)c3cccc(c3)Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134481",8,39.57967484,"c1cc(cc(c1)C(F)(F)F)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccc(cc4)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134109",8,30.06226489,"Cc1ccccc1C2CCN(CC2)C3CCC(CC3)NC(=O)c4cc(cs4)c5ccc(cc5)OC","n"]
["TCMDC-134452",8,29.06293706,"CN(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134459",8,14.41766489,"c1ccc(c(c1)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccc5c(c4)OCCO5)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134512",8,5.536608374,"CC(C)Oc1ccccc1c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccc(cc4)C(C)(C)C.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133504",8,5.467635232,"c1cc(ccc1c2cc(sc2)C(=O)NC3CCC(CC3)N4CCCc5ccc(cc5C4)C#N)Cl","n"]
["TCMDC-134480",8,4.488382162,"c1cc(cc(c1)F)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134458",8,1.255592438,"c1cc(cc(c1)C(F)(F)F)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccc5c(c4)OCCO5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134456",8,0.331938231,"CC(=O)Nc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134457",8,-3.131765045,"CC(=O)Nc1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)Cl.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134510",8,-33.70582686,"CC(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134450",8,-43.84023099,"COc1ccccc1CN2CCC(C2)CNC(=O)c3cc(cs3)c4cccc(c4)C(F)(F)F.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134478",8,-49.54538895,"c1cc(cc(c1)C(F)(F)F)c2cc(sc2)C(=O)NCC3CCN(C3)Cc4ccsc4.C(=O)(C(F)(F)F)O","n"]
["TCMDC-134511",8,-88.71860366,"CC(C)(C)c1ccc(cc1)CN2CCC(C2)CNC(=O)c3cc(cs3)c4ccccc4OC.C(=O)(C(F)(F)F)O","n"]
["TCMDC-133498",8,-376.2548263,"COc1ccccc1C2CCN(CC2)C3CCC(CC3)NC(=O)c4cc(cs4)c5ccc(cc5)Cl","n"]
["TCMDC-135184",9,null,"COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)c4ccc(cc4)S(=O)C.C(=O)(C(F)(F)F)O","y"]
["TCMDC-139606",9,111.5376243,"CC(C)CCNC(=O)c1cnc2c(c1Nc3cccc(c3)NC(=O)c4ccc(cc4)F)cccc2O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-139607",9,97.23455537,"COc1ccc(cc1)CNC(=O)c2cnc3c(c2Nc4cccc(c4)NC(=O)c5ccc(c(c5)Cl)Cl)cccc3O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136308",9,93.19416158,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4cccc5c4-c6ccccc6C5=O)C(=O)NCc7ccccc7I","n"]
["TCMDC-139605",9,78.77021437,"COc1ccc(cc1)CNC(=O)c2cnc3c(c2Nc4cccc(c4)NC(=O)c5ccc(cc5)F)cccc3O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-139611",9,77.41638892,"COc1ccc(cc1)CNC(=O)c2cnc3c(c2Nc4cccc(c4)NC(=O)c5ccc(cc5)c6ccccc6)cccc3O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-135442",9,70.7176515,"c1ccc(c(c1)NC(=O)Nc2ccc(cc2)Nc3c4ccc(cc4ncc3C(=O)N)c5ccoc5)Cl.Cl","n"]
["TCMDC-142242",9,64.06152307,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3cccc(c3C)C)Cl)OC)OC","n"]
["TCMDC-139610",9,57.38866397,"CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)Nc3c4cccc(c4ncc3C(=O)NCc5cccc(c5)C(F)(F)F)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136353",9,56.26272912,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5ccc6c(c5)OCO6.Cl","n"]
["TCMDC-138566",9,50.7390856,"c1cc2c(cc1c3cncs3)c(c(cn2)C(=O)N)Nc4ccc(c(c4)Cl)F","n"]
["TCMDC-138565",9,46.97802198,"Cc1ccc(cc1Nc2c3cc(ccc3ncc2C(=O)N)c4cncs4)O","n"]
["TCMDC-142240",9,44.75452196,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3ccccc3)Cl)OC)OC","n"]
["TCMDC-135826",9,40.37210513,"CS(=O)(=O)c1cc2c(cc1Br)ncc(c2Nc3ccc(cc3)N4CCOCC4)C(=O)N.Cl","n"]
["TCMDC-135227",9,39.18872465,"COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)c4ccccc4","n"]
["TCMDC-139609",9,35.6245757,"COc1ccc(cc1)CNC(=O)c2cnc3c(c2Nc4cccc(c4)NC(=O)c5ccc(c(c5)N(=O)=O)Cl)cccc3O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-139608",9,34.02161863,"c1cc(cc(c1)NC(=O)c2ccc(c(c2)Cl)Cl)Nc3c4cccc(c4ncc3C(=O)NCc5ccc(cc5)S(=O)(=O)N)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-142338",9,28.24809303,"CCCC(=O)c1cnc2c(c1Nc3c(cccc3C)C)cccc2OCCCc4c[nH]cn4","n"]
["TCMDC-136029",9,27.7761712,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)C#N)C(=O)N","n"]
["TCMDC-136019",9,23.08328737,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)C(F)(F)F)C(=O)N.Cl","n"]
["TCMDC-138672",9,14.12666281,"CN(C)CCNC(=O)c1ccc(cc1)c2ccc3c(c2)ncc(c3Nc4ccccc4)C(=O)N","n"]
["TCMDC-136010",9,9.933304952,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)Cl)C(=O)N.Cl","n"]
["TCMDC-135443",9,2.768048808,"CN1CCN(CC1)c2ccc(cc2C(F)(F)F)Nc3c4ccc(cc4ncc3C(=O)N)c5ccoc5.Cl","n"]
["TCMDC-136667",9,-0.501093937,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4N5CCOCC5)C(=O)NCc6ccccc6.Cl","n"]
["TCMDC-138960",9,-3.378149362,"CCCC(=O)c1cnc2c(c1Nc3ccccc3C)cccc2I","n"]
["TCMDC-136009",9,-6.073579566,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)N(=O)=O)C(=O)N.Cl","n"]
["TCMDC-136058",9,-8.163413395,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccc(cc4)C(=O)C)C(=O)N","n"]
["TCMDC-135825",9,-8.580708022,"Cc1cc2c(cc1S(=O)(=O)C)c(c(cn2)C(=O)N)Nc3ccc(cc3)N4CCOCC4.Cl","n"]
["TCMDC-142323",9,-12.62252286,"CCCC(=O)c1cnc2cc(ccc2c1Nc3ccccc3C)O","n"]
["TCMDC-136366",9,-19.0663453,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5ccccc5.Cl","n"]
["TCMDC-136348",9,-20.48712419,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5ccc(cc5)C(F)(F)F.Cl","n"]
["TCMDC-136367",9,-23.93758721,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5ccc(cc5)OC.Cl","n"]
["TCMDC-142329",9,-26.02159644,"CCCC(=O)c1cnc2c(c1Nc3ccccc3C)cccc2Oc4cc(ncn4)Cl","n"]
["TCMDC-135441",9,-28.96600567,"Cc1cc(ccc1N2CCN(CC2)C)Nc3c4ccc(cc4ncc3C(=O)N)c5ccoc5.Cl","n"]
["TCMDC-136375",9,-44.64036534,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5cccc6c5cccc6.Cl","n"]
["TCMDC-136365",9,-46.26411265,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NC5CCCC5.Cl","n"]
["TCMDC-136370",9,-53.98845893,"Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)NCc5ccc(cc5)OC(C)C.Cl","n"]
["TCMDC-125649",9,-55.5312557,"CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)O)cccc2C(F)(F)F","n"]
["TCMDC-135440",9,-93.68131868,"CN1CCN(CC1)c2ccc(cc2)Nc3c4ccc(cc4ncc3C(=O)N)c5ccoc5.Cl","n"]
["TCMDC-142241",9,-99.90671642,"CCOC(=O)c1cnc2c(cc(c(c2c1Nc3cccc(c3)C)Cl)OC)OC","n"]
["TCMDC-137771",10,null,"CC1CCCCN1CCCNc2nc3ccccc3c(n2)NCc4ccccc4","y"]
["TCMDC-142322",10,101.1480088,"Cc1ccccc1Nc2c3ccccc3nc(n2)NCCc4ccccc4","n"]
["TCMDC-142319",10,98.89680923,"Cc1ccccc1Nc2c3ccccc3nc(n2)NCc4ccccc4","n"]
["TCMDC-142330",10,93.64782812,"Cc1ccccc1Nc2nc3ccccc3c(n2)NCc4ccccc4OC","n"]
["TCMDC-123749",10,91.01088545,"c1ccc(cc1)Nc2nc3ccccc3c(n2)NCCO.Cl","n"]
["TCMDC-123532",10,79.67280933,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)O)N4CCCC4.Cl","n"]
["TCMDC-123730",10,79.07107935,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)O)NCC4CCCO4.Cl","n"]
["TCMDC-142326",10,78.90399075,"CCCNc1c2ccccc2nc(n1)Nc3ccccc3C","n"]
["TCMDC-142325",10,50.75478879,"Cc1ccccc1Nc2nc3ccccc3c(n2)NC.Cl","n"]
["TCMDC-124574",10,42.06468597,"c1ccc(cc1)CNc2c3ccccc3nc(n2)Nc4ccc(cc4)Br","n"]
["TCMDC-142327",10,41.87033265,"Cc1ccccc1Nc2nc3ccccc3c(n2)NCCCO.Cl","n"]
["TCMDC-125640",10,36.33404282,"c1ccc(cc1)CNc2c3ccccc3nc(n2)Nc4cccc(c4)O","n"]
["TCMDC-124567",10,35.04786722,"CN1CCN(CC1)c2nc3ccccc3c(n2)NCCNc4ccc(cc4)N(=O)=O","n"]
["TCMDC-135161",10,33.2322118,"Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)NCc4cccnc4","n"]
["TCMDC-124562",10,32.57551153,"COc1ccc(cc1)Nc2nc3ccccc3c(n2)NCc4ccco4.Cl","n"]
["TCMDC-123748",10,31.55125594,"CCOc1ccc(cc1)Nc2nc3ccccc3c(n2)N.Cl","n"]
["TCMDC-123638",10,30.08964719,"Cc1ccc(cc1)Nc2nc3ccccc3c(n2)N.Cl","n"]
["TCMDC-142324",10,28.55115652,"Cc1ccccc1Nc2nc3ccccc3c(n2)Nc4ccccc4.Cl","n"]
["TCMDC-142328",10,26.71324723,"CCCCCNc1c2ccccc2nc(n1)Nc3ccccc3C.Cl","n"]
["TCMDC-123746",10,24.7686524,"COc1cccc(c1)Nc2nc3ccccc3c(n2)N.Cl","n"]
["TCMDC-124573",10,23.3805668,"COc1cccc(c1)Nc2nc3ccccc3c(n2)NCCO.Cl","n"]
["TCMDC-137554",10,18.64346591,"c1ccc(cc1)CNc2c3ccccc3nc(n2)NCCN4CCCCC4","n"]
["TCMDC-124563",10,15.52137,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)Br)NCC4CCCO4","n"]
["TCMDC-134695",10,12.71084763,"Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)Nc4cccc(c4)Cl","n"]
["TCMDC-124014",10,8.730998017,"c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)O)NCc4ccco4","n"]
["TCMDC-124354",10,6.388107674,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)Cl)N.Cl","n"]
["TCMDC-124459",10,5.684236885,"c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)O)N.Cl","n"]
["TCMDC-123869",10,2.30878187,"CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3nc4ccccc4c(n3)NC5CCCC5","n"]
["TCMDC-125389",10,1.912045889,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)Cl)NCCO.Cl","n"]
["TCMDC-123640",10,-1.10376735,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)F)NCCO.Cl","n"]
["TCMDC-124251",10,-1.432291667,"CS(=O)(=O)O.c1ccc2c(c1)cccc2S(=O)(=O)NCC3CCC(CC3)CNc4nc5ccccc5c(n4)N","n"]
["TCMDC-123639",10,-2.530364372,"Cc1cccc(c1)Nc2nc3ccccc3c(n2)N.Cl","n"]
["TCMDC-123641",10,-25.34406098,"c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)O)NCC4CCCO4.Cl","n"]
["TCMDC-123747",10,-37.65455704,"c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)O)NCCO.Cl","n"]
["TCMDC-125641",10,-47.60235382,"c1ccc(cc1)CNc2c3ccccc3nc(n2)Nc4ccc(cc4)O","n"]
["TCMDC-124381",10,-67.2946368,"COc1ccc(cc1)Nc2nc3ccccc3c(n2)N4CCCC4.Cl","n"]
["TCMDC-124015",10,-74.78402079,"c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)O)NCc4ccco4","n"]
["TCMDC-124544",10,-81.25083702,"c1ccc2c(c1)c(nc(n2)Nc3ccccc3O)NCc4ccco4.Cl","n"]
["TCMDC-123862",10,-97.32991953,"CC12CC3CC(C1)(CC(C3)(C2)Nc4c5ccccc5nc(n4)N6CCOCC6)C","n"]
["TCMDC-137569",11,null,"CCCCN1CCN(CC1)CCCCNc2c3ccccc3nc4c2cccc4.Cl","y"]
["TCMDC-124286",11,134.5908511,"c1ccc2c(c1)c(c3ccccc3n2)NCCCCCCCCCNc4c5ccccc5nc6c4cccc6.Cl","n"]
["TCMDC-124285",11,125.4550469,"c1ccc2c(c1)c(c3ccccc3n2)NCCCCCCNc4c5ccccc5nc6c4cccc6.Cl","n"]
["TCMDC-138015",11,122.1287491,"CCCCCCCCN1CCN(CC1)CCCCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-124265",11,121.7605249,"c1ccc2c(c1)c(c3ccccc3n2)NCCOCCNc4c5ccccc5nc6c4cccc6.Cl","n"]
["TCMDC-137519",11,114.1789685,"CCCCN(CCCC)CCCCCCNc1c2ccccc2nc3c1cccc3.Cl","n"]
["TCMDC-137354",11,113.5716011,"c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)Cc5ccc(cc5)Nc6c7ccccc7nc8c6cccc8.Cl","n"]
["TCMDC-137355",11,108.9301987,"c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)OCCOCCOc5ccc(cc5)Nc6c7ccccc7nc8c6cccc8.Cl","n"]
["TCMDC-137479",11,105.4141208,"CN1CCN(CC1)CCCCNc2c3ccccc3nc4c2cccc4","n"]
["TCMDC-137549",11,102.4644188,"CCCN1CCN(CC1)CCNc2c3ccccc3nc4c2cccc4","n"]
["TCMDC-137461",11,102.0059222,"CCCCN(CCCC)CCCCNc1c2ccccc2nc3c1cccc3.Cl","n"]
["TCMDC-138009",11,101.2417614,"c1ccc(cc1)CN2CCN(CC2)CCCCNc3c4ccccc4nc5c3cccc5.Cl","n"]
["TCMDC-124284",11,101.0889292,"c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)Oc5ccc(cc5)Nc6c7ccccc7nc8c6cccc8.Cl","n"]
["TCMDC-124292",11,99.71147318,"CCN(CC)CCCC(C)Nc1c2ccccc2nc3c1cccc3.Cl","n"]
["TCMDC-137572",11,99.40777534,"CCCCN1CCN(CC1)CCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137542",11,98.33795014,"CN1CCN(CC1)CCCCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-138011",11,98.0322858,"CC(CCNc1c2ccccc2nc3c1cccc3)N4CCN(CC4)C.Cl","n"]
["TCMDC-137478",11,97.72662145,"CCCN1CCN(CC1)CCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-124255",11,96.72160516,"CCN1CCN(CC1)c2ccc(cc2)Nc3c4ccccc4nc5c3cccc5","n"]
["TCMDC-137547",11,96.5708766,"CC(C)N1CCN(CC1)CCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137541",11,96.50396408,"CN1CCN(CC1)CCCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137573",11,93.5686134,"CC(C)N1CCN(CC1)CCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137576",11,92.99534217,"CCCN1CCN(CC1)CCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-138008",11,92.54039189,"CC(C)CN1CCN(CC1)CCNc2c3ccccc3nc4c2cccc4","n"]
["TCMDC-137545",11,85.18836748,"CCN1CCN(CC1)CCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137793",11,84.71246422,"c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)Cc5cccc(c5)Nc6c7ccccc7nc8c6cccc8","n"]
["TCMDC-137546",11,84.23661599,"CCN1CCN(CC1)CCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-137570",11,80.95836087,"CCN1CCN(CC1)CCCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-125517",11,76.47911133,"CCN(CC)CCCNc1c2ccccc2nc3c1cccc3.Cl","n"]
["TCMDC-124356",11,67.1712611,"CC(=O)Nc1ccc(cc1)Nc2c3ccccc3nc4c2cccc4","n"]
["TCMDC-137571",11,58.88570405,"c1ccc(cc1)CN2CCN(CC2)CCNc3c4ccccc4nc5c3cccc5.Cl","n"]
["TCMDC-123912",11,39.22702176,"CN1CCN(CC1)c2ccc(cc2)Nc3c4ccccc4nc5c3cccc5","n"]
["TCMDC-137544",11,15.50291336,"CCOC(=O)N1CCN(CC1)CCCNc2c3ccccc3nc4c2cccc4.Cl","n"]
["TCMDC-124424",11,5.483802668,"c1ccc2c(c1)c(c3ccccc3n2)NCCc4c[nH]cn4","n"]
["TCMDC-123957",11,-50.00721605,"CCCCCCNc1c2ccccc2nc3c1cccc3.Cl","n"]
["TCMDC-123741",11,-71.41647258,"CC(=O)Nc1cccc(c1)Nc2c3ccccc3nc4c2cccc4","n"]
["TCMDC-142231",11,-139.0266356,"COc1ccc(c2c1cccc2)C=NNc3c4ccccc4nc5c3cccc5","n"]
["TCMDC-125200",12,null,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3cccc(c3)Cl","y"]
["TCMDC-125199",12,91.47763409,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccccc3","n"]
["TCMDC-125198",12,87.6333828,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccccc3OC","n"]
["TCMDC-125471",12,84.04160852,"CCCOc1ccc(cc1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125207",12,83.06087498,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3cccs3","n"]
["TCMDC-125399",12,77.34365089,"Cc1cccc(c1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125071",12,74.79758829,"CCCCC(=O)Nc1c(non1)c2ccc(c(c2)OCC)OCC","n"]
["TCMDC-125178",12,71.05162524,"COc1ccc(cc1OC)c2c(non2)NC(=O)c3ccc(cc3)OCC=C","n"]
["TCMDC-125209",12,63.55027913,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccc(cc3)F","n"]
["TCMDC-125130",12,61.64581328,"CC(C)Oc1ccc(cc1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125206",12,57.10550491,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccccc3F","n"]
["TCMDC-124765",12,56.2560154,"CCCOc1ccc(cc1OCCC)c2c(non2)NC(=O)c3cccc(c3)OC","n"]
["TCMDC-124767",12,53.72292126,"CCCOc1ccccc1C(=O)Nc2c(non2)c3ccc(c(c3)OCC)OCC","n"]
["TCMDC-124766",12,53.56111646,"CCCOc1ccc(cc1OCCC)c2c(non2)NC(=O)c3ccccc3OC","n"]
["TCMDC-125208",12,49.86926719,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccc(cc3)OC","n"]
["TCMDC-125205",12,48.31075821,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccccc3Cl","n"]
["TCMDC-125179",12,47.83407533,"CCOc1cccc(c1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125403",12,43.85386274,"COc1cccc(c1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125196",12,42.8591619,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)CC(C)C","n"]
["TCMDC-125404",12,41.99525477,"CC(C)(C)c1ccc(cc1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125402",12,33.50247368,"CCOc1ccc(cc1)C(=O)Nc2c(non2)c3ccc(c(c3)OC)OC","n"]
["TCMDC-125400",12,30.18456043,"COc1ccc(cc1OC)c2c(non2)NC(=O)c3ccc(c(c3)Cl)OC","n"]
["TCMDC-125210",12,29.5220879,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccc(cc3)Cl","n"]
["TCMDC-125401",12,22.74514779,"COc1ccc(cc1OC)c2c(non2)NC(=O)c3cccc(c3)Cl","n"]
["TCMDC-125276",12,7.158962796,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccc(cc3)OC(C)C","n"]
["TCMDC-125197",12,3.347345477,"CCOc1ccc(cc1OCC)c2c(non2)NC(=O)c3ccco3","n"]
["TCMDC-136678",13,null,"CN(C)CCNC(=O)c1ccc(cc1)c2cnc3n2nc(cc3)NCc4ccc(c(c4)Cl)Cl","y"]
["TCMDC-136684",13,104.7324396,"Cc1ccc(c(c1)C)CNc2ccc3ncc(n3n2)c4cccc(c4)C(=O)NCCN(C)C","n"]
["TCMDC-136673",13,81.32928847,"CN(C)c1cccc(c1)c2cnc3n2nc(cc3)NCc4cccc(c4)Cl","n"]
["TCMDC-136685",13,61.81106123,"c1cc(ccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)OC(F)(F)F)S(=O)(=O)N","n"]
["TCMDC-136683",13,53.42355523,"COc1ccc(cc1OC)c2cnc3n2nc(cc3)NCCCO","n"]
["TCMDC-136675",13,53.18946598,"COc1ccc(cc1OC)c2cnc3n2nc(cc3)NCc4ccc(cc4)F","n"]
["TCMDC-136677",13,49.91405981,"CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCc4ccc(c(c4)Cl)Cl","n"]
["TCMDC-136686",13,45.42225278,"c1cc(ccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)Cl)S(=O)(=O)N","n"]
["TCMDC-136687",13,45.36820193,"COc1ccc(cc1)c2cnc3n2nc(cc3)NCc4ccc(cc4)S(=O)(=O)N","n"]
["TCMDC-134177",13,42.13705749,"COc1ccc(cc1OC)c2cnc3n2nc(cc3)N4CCCC4.C(=O)O","n"]
["TCMDC-136676",13,39.40981798,"c1cc(cc(c1)O)c2cnc3n2nc(cc3)NCc4ccc(cc4)F","n"]
["TCMDC-136681",13,34.75006037,"c1cc(ccc1c2cnc3n2nc(cc3)NCc4ccncc4)OC(F)(F)F","n"]
["TCMDC-136691",13,25.43829495,"c1ccc2cc(ccc2c1)c3cnc4n3nc(cc4)NC5CCC(CC5)O","n"]
["TCMDC-136679",13,23.91608392,"c1cc(cnc1)CCNc2ccc3ncc(n3n2)c4ccc(cc4)C#N","n"]
["TCMDC-124515",13,21.95485276,"c1cc(ccc1CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N)S(=O)(=O)N","n"]
["TCMDC-136682",13,21.1577037,"c1cc(ccc1c2cnc3n2nc(cc3)NCc4ccncc4)Cl","n"]
["TCMDC-136693",13,13.03670023,"c1cc(ccc1c2cnc3n2nc(cc3)NC4CCC(CC4)O)Cl","n"]
["TCMDC-136690",13,11.22951759,"CN1CCN(CC1)c2ccc(cc2)CNc3ccc4ncc(n4n3)c5cccc(c5)OC(F)(F)F","n"]
["TCMDC-136692",13,8.488794291,"c1cc(ccc1c2cnc3n2nc(cc3)NC4CCC(CC4)O)C(=O)O","n"]
["TCMDC-136689",13,-0.779191016,"CN1CCN(CC1)c2ccc(cc2)CNc3ccc4ncc(n4n3)c5ccc(cc5)OC(F)(F)F","n"]
["TCMDC-136680",13,-25.40983607,"c1cc(cnc1)CCNc2ccc3ncc(n3n2)c4ccc(cc4)Cl","n"]
["TCMDC-136307",14,null,"CS(=O)(=O)c1cccc(c1)c2cc3c(c[nH]c3nc2)c4cccc(c4)CCN.C(=O)(C(F)(F)F)O","y"]
["TCMDC-135853",14,140.3133602,"COc1ccc(cc1OC)c2cc3c(c[nH]c3nc2)c4ccncc4","n"]
["TCMDC-132582",14,93.28671329,"CCS(=O)(=O)c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)N","n"]
["TCMDC-136221",14,80.96277932,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)F)C(=O)O","n"]
["TCMDC-132359",14,74.4568907,"c1cc(ccc1c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)N)C(=O)NCCN","n"]
["TCMDC-136372",14,46.27679579,"c1cc(c2cccnc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136218",14,33.32187464,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)CN","n"]
["TCMDC-136306",14,30.86388431,"CS(=O)(=O)Nc1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O","n"]
["TCMDC-136294",14,27.55669349,"CC(C)(C)OC(=O)NCCc1cccc(c1)c2c[nH]c3c2cc(cn3)c4cccc(c4)NS(=O)(=O)C","n"]
["TCMDC-136219",14,26.05363985,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4cccc(c4)CN","n"]
["TCMDC-135860",14,22.9632176,"c1cc(ccc1c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)C(=O)O","n"]
["TCMDC-136381",14,18.22945394,"Cc1ccc(cc1C)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C)C(=O)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136377",14,16.50181545,"Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4cccc5c4cccn5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136336",14,14.56647019,"c1cc2cc(ccc2nc1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CCC(=O)O.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136223",14,14.42344285,"CS(=O)(=O)c1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)CCC(=O)O","n"]
["TCMDC-136220",14,11.92221174,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4cc(cc(c4)N)C(=O)O","n"]
["TCMDC-136271",14,0.461188698,"CS(=O)(=O)c1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O","n"]
["TCMDC-132781",14,-2.016998605,"c1cc(ccc1c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)N5CCOCC5)C(=O)N6CCOCC6","n"]
["TCMDC-136363",14,-2.825766707,"c1cc(cc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O)CCN.C(=O)(C(F)(F)F)O","n"]
["TCMDC-136222",14,-32.53564155,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)CCC(=O)O","n"]
["TCMDC-136215",14,-36.33740665,"CS(=O)(=O)Nc1cccc(c1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O","n"]
["TCMDC-125521",15,null,"c1ccnc(c1)C=NNC(=S)Nc2ccc(cc2)F","y"]
["TCMDC-125520",15,null,"CC(C)c1ccc(cc1)NC(=S)NN=Cc2ccccn2","y"]
["TCMDC-125487",15,null,"Cc1c(cccc1Cl)NC(=S)NN=Cc2ccccn2","y"]
["TCMDC-125752",15,132.1671388,"c1ccnc(c1)C=NNC(=S)NC2CC3CC2C=C3","n"]
["TCMDC-125522",15,102.4644188,"c1ccnc(c1)C=NNC(=S)Nc2ccc(c(c2)Cl)Cl","n"]
["TCMDC-137906",15,99.5989458,"CC(=NNC(=S)NCc1ccco1)c2ccccn2","n"]
["TCMDC-132009",15,95.93216455,"c1ccnc(c1)C=NNC(=S)Nc2ccc3c(c2)OCCO3","n"]
["TCMDC-137907",15,93.03929222,"CC(=NNC(=S)NCCCOC)c1ccccn1","n"]
["TCMDC-137895",15,92.62551646,"CC(=NNC(=S)NCCc1ccccn1)c2ccccn2","n"]
["TCMDC-123475",15,90.46443651,"CC(=NNC(=S)NC)c1ccccn1","n"]
["TCMDC-124270",15,79.29041697,"CC(=NNC(=S)NCCc1ccccc1)c2ccccn2","n"]
["TCMDC-125787",15,60.80152203,"c1ccnc(c1)C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3","n"]
["TCMDC-137900",15,55.54494221,"CC(=NNC(=S)NCc1cc(c(c(c1)OC)OC)OC)c2ccccn2","n"]
["TCMDC-123509",15,31.62893573,"c1ccnc(c1)C=NNC(=S)Nc2cccc(c2)C(F)(F)F","n"]
["TCMDC-137783",15,15.80857771,"CC(=NNC(=S)NC(C)(C)C)c1ccccn1","n"]
["TCMDC-124278",15,2.359346642,"CC(=NNC(=S)Nc1ccccc1Cl)c2ccccn2","n"]
["TCMDC-137894",15,-31.87706543,"CC(=NNC(=S)NC(c1ccccc1)c2ccccc2)c3ccccn3","n"]
["TCMDC-123885",16,null,"c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl","y"]
["TCMDC-125769",16,null,"Cc1ccnc(c1)Nc2nc(cs2)c3ccccn3.Br","y"]
["TCMDC-125846",16,114.9966568,"Cc1cccnc1Nc2nc(cs2)c3ccccn3","n"]
["TCMDC-124275",16,108.3992208,"c1ccnc(c1)c2csc(n2)Nc3ccccn3","n"]
["TCMDC-125854",16,98.08214528,"Cc1ccc(nc1)Nc2nc(cs2)c3ccccn3","n"]
["TCMDC-125542",16,81.66812555,"c1ccnc(c1)c2csc(n2)Nc3nc4c(cccc4s3)F","n"]
["TCMDC-124559",16,76.73474566,"CC1Cc2ccccc2N1S(=O)(=O)c3cccc(c3)C(=O)Nc4nc(cs4)c5ccccn5","n"]
["TCMDC-125540",16,71.85115989,"c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F","n"]
["TCMDC-123868",16,65.76714189,"c1ccnc(c1)c2csc(n2)NC(=O)c3ccc(s3)Br","n"]
["TCMDC-125336",16,64.13781399,"c1ccc(cc1)OCc2ccccc2C(=O)Nc3nc(cs3)c4ccccn4","n"]
["TCMDC-125461",16,62.81869688,"Cc1c2cc(sc2n(n1)CC(C)C)C(=O)Nc3nc(cs3)c4ccccn4","n"]
["TCMDC-124550",16,41.05289484,"c1ccnc(c1)c2csc(n2)Nc3nc4cc5c(cc4s3)OCO5","n"]
["TCMDC-125543",16,33.33960135,"COc1cccc2c1nc(s2)Nc3nc(cs3)c4ccccn4","n"]
["TCMDC-125345",16,25.53107121,"COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccccn3","n"]
["TCMDC-125432",16,10.02583979,"c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C(=O)Nc4nc(cs4)c5ccccn5","n"]
["TCMDC-125541",16,1.427383592,"COc1ccc2c(c1)sc(n2)Nc3nc(cs3)c4ccccn4","n"]
["TCMDC-139286",17,null,"COc1ccc(cc1)COc2cc(nc3c2cccc3)NCCCN","y"]
["TCMDC-140677",17,108.0792683,"COc1cc(nc2c1cccc2)NCCCNCc3cn(c4c3cccc4)Cc5cc(cc(c5)Br)Br","n"]
["TCMDC-140539",17,107.7629063,"COc1cc(nc2c1cccc2)NCC3(CCCCC3)CNCc4cn(c5c4cccc5)Cc6ccccc6.Cl","n"]
["TCMDC-140496",17,91.67128603,"CC(CNCc1cn(c2c1cccc2)Cc3ccccc3)CNc4cc(c5ccccc5n4)OC","n"]
["TCMDC-140505",17,77.86670001,"COc1cc(nc2c1cccc2)NC3CCCC(C3)NCc4cn(c5c4cccc5)S(=O)(=O)c6ccccc6","n"]
["TCMDC-140214",17,73.49904398,"COc1cc(nc2c1cccc2)NCCCNCc3cn(c4c3cccc4)S(=O)(=O)c5ccccc5","n"]
["TCMDC-140387",17,69.07904073,"COc1cc(nc2c1cccc2)NCC(Cc3ccc4c(c3)OCO4)CN.Cl","n"]
["TCMDC-140140",17,60.41745017,"COc1cc(nc2c1cccc2)NCCCNC(=O)c3cn(c4c3cccc4)Cc5ccccc5","n"]
["TCMDC-139360",17,55.1101409,"COc1cc(nc2c1cccc2)NCC(CNc3cc(c4ccccc4n3)OC)O","n"]
["TCMDC-139359",17,31.96166855,"COc1cc(nc2c1cccc2)NCC(CNc3cc(nc4c3cccc4)Cl)O","n"]
["TCMDC-140360",17,30.44891834,"COc1cc(nc2c1cccc2)NCCCNC(=O)c3cc4c([nH]3)cc(cc4Cl)Cl","n"]
["TCMDC-140373",17,-10.34180543,"COc1cc(nc2c1cccc2)NCCCNC(=O)c3ccc(c(c3)Cl)Cl","n"]
["TCMDC-139265",17,-18.92441532,"CCOc1cc(nc2c1cccc2)NCCCNc3c(cc(cn3)N(=O)=O)C","n"]
["TCMDC-124436",18,null,"C=CCN(c1nc(cs1)c2ccccc2)C(=O)c3ccc(c(c3)N(=O)=O)Cl","y"]
["TCMDC-124559",18,76.73474566,"CC1Cc2ccccc2N1S(=O)(=O)c3cccc(c3)C(=O)Nc4nc(cs4)c5ccccn5","n"]
["TCMDC-125336",18,64.13781399,"c1ccc(cc1)OCc2ccccc2C(=O)Nc3nc(cs3)c4ccccn4","n"]
["TCMDC-134190",18,63.97970688,"COc1cccc(c1)C(=O)Nc2nc3c(s2)CCN(CC3)Cc4ccccc4N5CCNCC5.C(=O)(C(F)(F)F)O","n"]
["TCMDC-125338",18,37.83753248,"CCN(c1nc2c(cccc2s1)C)C(=O)c3ccc(cc3)NC(=O)c4cccs4","n"]
["TCMDC-125345",18,25.53107121,"COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccccn3","n"]
["TCMDC-125432",18,10.02583979,"c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C(=O)Nc4nc(cs4)c5ccccn5","n"]
["TCMDC-125773",18,-2.751959176,"CC(C)CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc3nccs3","n"]
["TCMDC-124033",18,-5.611356636,"c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)c4csc(n4)NC(=O)c5ccc6ccccc6c5","n"]
["TCMDC-125112",18,-27.73471146,"COc1cc(cc(c1)OC)C(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccccc4","n"]
["TCMDC-123561",18,-34.43143481,"CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N(c2nc(cs2)c3ccccc3)C4CCCCC4","n"]
["TCMDC-138781",18,-44.15892109,"COc1ccccc1C2CCN(CC2)Cc3csc(n3)NC(=O)c4ccc(cc4)c5ccc(cc5)C(F)(F)F","n"]
["TCMDC-125289",19,null,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3ccc(c(c3)OC)OC)c4cccs4","y"]
["TCMDC-125447",19,95.46942291,"CN1C(C(c2ccccc2C1=O)C(=O)Nc3cc(c(cc3OC)OC)Cl)c4cccs4","n"]
["TCMDC-125287",19,90.81172492,"COc1ccc(cc1)NC(=O)C2c3ccccc3C(=O)N(C2c4cccs4)C5CCCC5","n"]
["TCMDC-124695",19,88.10097679,"COc1ccc(cc1OC)NC(=O)C2c3ccccc3C(=O)N(C2c4cccs4)C5CCCC5","n"]
["TCMDC-123797",19,62.6030957,"CN1C(C(c2cc(c(cc2C1=O)OC)OC)C(=O)Nc3ccc(cc3)C(F)(F)F)c4cccs4","n"]
["TCMDC-124757",19,58.39278765,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3ccc(cc3)C(=O)C)c4cccs4","n"]
["TCMDC-124760",19,55.10105871,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3cc(c(cc3OC)OC)Cl)c4cccs4","n"]
["TCMDC-124756",19,54.71607315,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3cccc(c3)C(=O)C)c4cccs4","n"]
["TCMDC-124758",19,44.12897016,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3cccc(c3)C#N)c4cccs4","n"]
["TCMDC-124759",19,26.61212705,"CC(C)CN1C(C(c2ccccc2C1=O)C(=O)Nc3cc(ccc3OC)OC)c4cccs4","n"]
["TCMDC-125288",19,-16.95469407,"COc1ccc(c(c1)OC)NC(=O)C2c3ccccc3C(=O)N(C2c4cccs4)C5CCCC5","n"]
["TCMDC-125539",20,null,"c1ccc2c(c1)nc(s2)Sc3c4ccsc4ncn3","y"]
["TCMDC-124542",20,96.32760532,"Cc1c(sc2c1c(ncn2)Sc3nnc(s3)N)C","n"]
["TCMDC-123993",20,80.66775041,"CCc1cc2c(s1)ncnc2Sc3nnc(s3)N","n"]
["TCMDC-125239",20,77.07225321,"Cc1nnc(s1)Sc2c3c(csc3ncn2)c4ccc(cc4)F","n"]
["TCMDC-124514",20,74.09615629,"Cn1c2ccccc2nc1Sc3c4ccsc4ncn3","n"]
["TCMDC-125247",20,65.96834868,"Cc1ccc(cc1)n2c(nnc2Sc3c4ccsc4ncn3)N5CCCC5","n"]
["TCMDC-124553",20,60.59997322,"CCc1cc2c(s1)ncnc2Sc3[nH]c4ccccc4n3","n"]
["TCMDC-123835",20,57.62001157,"Cc1c(sc2c1c(ncn2)Sc3[nH]c4ccccc4n3)C","n"]
["TCMDC-124602",20,29.95804196,"c1ccn2c(c1)cnc2Sc3c4ccsc4ncn3","n"]
["TCMDC-125258",20,10.99210823,"COCCn1c2ccccc2nc1Sc3c4ccsc4ncn3","n"]
["TCMDC-123558",20,5.306450818,"Cc1c(sc2c1c(nc(n2)C)SCC(=O)N3CCCC3=O)C","n"]
["TCMDC-123475",21,null,"CC(=NNC(=S)NC)c1ccccn1","y"]
["TCMDC-137907",21,null,"CC(=NNC(=S)NCCCOC)c1ccccn1","y"]
["TCMDC-137895",21,null,"CC(=NNC(=S)NCCc1ccccn1)c2ccccn2","y"]
["TCMDC-137906",21,99.5989458,"CC(=NNC(=S)NCc1ccco1)c2ccccn2","n"]
["TCMDC-124270",21,79.29041697,"CC(=NNC(=S)NCCc1ccccc1)c2ccccn2","n"]
["TCMDC-137900",21,55.54494221,"CC(=NNC(=S)NCc1cc(c(c(c1)OC)OC)OC)c2ccccn2","n"]
["TCMDC-137783",21,15.80857771,"CC(=NNC(=S)NC(C)(C)C)c1ccccn1","n"]
["TCMDC-124278",21,2.359346642,"CC(=NNC(=S)Nc1ccccc1Cl)c2ccccn2","n"]
["TCMDC-137894",21,-31.87706543,"CC(=NNC(=S)NC(c1ccccc1)c2ccccc2)c3ccccn3","n"]
["TCMDC-136642",22,null,"COc1ccc(cc1)Nc2nccc(n2)c3ccc4ccnc(c4c3)NCCCCN","y"]
["TCMDC-136539",22,29.83193277,"CNc1cc(nc(n1)N)c2ccc3ccnc(c3c2)N.C(=O)O","n"]
["TCMDC-134544",22,25.59994811,"Cc1ccc(cc1)c2cnc(c3c2ccc(c3)c4ccnc(n4)N)N","n"]
["TCMDC-134547",22,15.82791211,"CC(Cc1ccc(cc1)c2cnc(c3c2ccc(c3)c4ccnc(n4)N)N)C#N","n"]
["TCMDC-134546",22,12.62809703,"CCc1ccc(cc1)c2cnc(c3c2ccc(c3)c4ccnc(n4)N)N","n"]
["TCMDC-135552",22,9.814874959,"COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)c(ncc4c5ccsc5)N","n"]
["TCMDC-134545",22,-1.87680462,"c1cc(cc(c1)F)c2cnc(c3c2ccc(c3)c4ccnc(n4)N)N","n"]
["TCMDC-136735",22,-3.626754146,"c1cc(cnc1)CNc2nccc(n2)c3ccc4ccnc(c4c3)N","n"]
["TCMDC-136382",22,-22.88953914,"c1ccc(cc1)/C=C/c2cnc(c3c2ccc(c3)c4ccnc(n4)N)N","n"]
["TCMDC-124791",23,null,"Cc1ccc2c(c1)n(c(n2)C)C3CCN(CC3)C(=O)Cc4cccc(c4)OC","y"]
["TCMDC-124790",23,null,"Cc1ccc(c(c1)CC(=O)N2CCC(CC2)n3c(nc4c3cc(cc4)F)C)C","y"]
["TCMDC-124793",23,84.62584263,"Cc1ccc2c(c1)n(c(n2)C)C3CCN(CC3)C(=O)Cc4ccc(c(c4)F)F","n"]
["TCMDC-124792",23,80.70437151,"Cc1nc2ccc(cc2n1C3CCN(CC3)C(=O)Cc4cccc(c4)OC)F","n"]
["TCMDC-124789",23,80.51010587,"Cc1ccc2c(c1)n(c(n2)C)C3CCN(CC3)C(=O)Cc4cc(cc(c4)C)C","n"]
["TCMDC-124795",23,76.44960436,"Cc1ccc2c(c1)n(c(n2)C)C3CCN(CC3)C(=O)Cc4ccccc4C","n"]
["TCMDC-124794",23,73.02441511,"Cc1nc2ccc(cc2n1C3CCN(CC3)C(=O)Cc4ccc(c(c4)F)F)F","n"]
["TCMDC-124796",23,44.07186406,"Cc1ccc2c(c1)n(c(n2)C)C3CCN(CC3)C(=O)C4(CC4)c5ccccc5","n"]
["TCMDC-125531",24,null,"CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC","y"]
["TCMDC-125849",24,null,"CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)OC)OC)OC)OC.Cl","y"]
["TCMDC-131825",24,null,"CCC1=C(CC2c3cc(c(cc3CCN2C1)OC)OC)CC4c5cc(c(cc5CCN4)OC)OC","y"]
["TCMDC-131829",24,88.81933141,"CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(c(c5CCN4)I)O)OC)OC)OC.Br","n"]
["TCMDC-131802",24,83.04709862,"CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(c(c5CCN4)Cl)O)OC)OC)OC","n"]
["TCMDC-131803",24,73.47124642,"CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(c(c5CCN4)Br)OC)OC)OC)OC","n"]
["TCMDC-137627",24,69.0085922,"CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1CC4=NCCc5c4[nH]c6c5cc(cc6)OCc7ccccc7)OC)OC.Br","n"]
["TCMDC-133343",25,null,"COc1cc(ccc1O)c2cc(cnc2N)c3ccc(cc3)S(=O)(=O)C","y"]
["TCMDC-133351",25,null,"COc1ccc(cn1)c2cc(cnc2N)c3ccc(cc3)S(=O)(=O)C","y"]
["TCMDC-133347",25,65.53846154,"CS(=O)(=O)c1ccc(cc1)c2cc(c(nc2)N)c3cccc(c3)O","n"]
["TCMDC-133342",25,35.59168413,"COCc1cccc(c1)c2cc(cnc2N)c3ccc(cc3)S(=O)(=O)C","n"]
["TCMDC-133352",25,33.58348968,"CS(=O)(=O)c1ccc(cc1)c2cc(c(nc2)N)c3cccc(c3)CO","n"]
["TCMDC-133348",25,24.96010802,"CS(=O)(=O)c1ccc(cc1)c2cc(c(nc2)N)c3ccc(cc3)O","n"]
["TCMDC-124917",26,null,"CCc1c(c2nc(cc(n2n1)Nc3ccncc3)C)c4ccccc4","y"]
["TCMDC-124478",26,null,"Cc1cc(n2c(n1)c(c(n2)C)c3ccc(cc3)Cl)Nc4ccncc4","y"]
["TCMDC-124918",26,null,"Cc1cc(n2c(n1)c(c(n2)C)c3ccccc3Cl)Nc4ccncc4","y"]
["TCMDC-124390",26,12.48500247,"Cc1ccc(cc1)c2cc3nc4c(c(n3n2)NCCCn5ccnc5)CCC4","n"]
["TCMDC-124388",26,-20.82715788,"COc1cccc(c1)c2cc3nc4c(c(n3n2)NCCCn5ccnc5)CCCC4","n"]
["TCMDC-124389",26,-21.28565347,"COc1ccc(cc1)c2cc3nc4c(c(n3n2)NCCCn5ccnc5)CCCC4","n"]
["TCMDC-124542",27,null,"Cc1c(sc2c1c(ncn2)Sc3nnc(s3)N)C","y"]
["TCMDC-123993",27,80.66775041,"CCc1cc2c(s1)ncnc2Sc3nnc(s3)N","n"]
["TCMDC-125043",27,65.39844218,"Cc1ccc(cc1)Nc2nnc(s2)SCC(=O)Nc3ccc(cc3)CN4CCCC4","n"]
["TCMDC-124565",27,57.51719835,"COc1cccc(c1)Nc2nnc(s2)SCC(=O)NNC(=O)c3ccccn3","n"]
["TCMDC-123611",27,2.083746775,"Cc1cc(c(n1C(C)COC)C)C(=O)CSc2nnc(s2)Nc3ccccc3","n"]
["TCMDC-125446",27,0.048123195,"Cc1cc(cc(c1CSc2nnc(s2)NC(=O)C)C)C(C)(C)C","n"]
["TCMDC-123792",28,null,"Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)Br)NC(=O)Cc3ccccc3F","y"]
["TCMDC-123775",28,71.45756692,"Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)OC)NC(=O)Nc3ccc(cc3F)F","n"]
["TCMDC-124506",28,65.50720621,"Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F","n"]
["TCMDC-123774",28,47.0554846,"Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3F)F","n"]
["TCMDC-124576",28,44.22117517,"Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)Br)NC(=O)Nc3ccc(cc3F)F","n"]
["TCMDC-124575",28,19.24467658,"Cn1c(c(c(n1)C(F)(F)F)c2cccc(c2)C(F)(F)F)NC(=O)Nc3cccc(c3)OC","n"]
["TCMDC-132071",29,null,"COc1cc2c(c(c1OC)Cl)CCN(CC2c3ccccc3)C(=O)C(F)(F)F","y"]
["TCMDC-141978",29,49.98554078,"c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)OC(=O)c4ccc(cc4)O)OC(=O)c5ccc(cc5)O)OC(=O)c6ccc(cc6)O.Cl","n"]
["TCMDC-132074",29,48.85881492,"COc1cc2c(c(c1OC)Cl)CCN(CC2c3ccc(cc3)C(=O)N)Cc4ccccc4","n"]
["TCMDC-132075",29,32.92578088,"COc1cc2c(c(c1OC)Cl)CCN(CC2c3ccc(cc3)NC(=O)C(F)(F)F)Cc4ccccc4","n"]
["TCMDC-141979",29,17.32477384,"c1ccc(cc1)COc2c(cc3c(c2Cl)CCNCC3c4ccc(cc4)O)O.Cl","n"]
["TCMDC-141981",29,-77.13813615,"CC(C)(C)CCOC(=O)N1CCc2c(cc(c(c2Cl)O)O)C(C1)c3ccc(cc3)O","n"]
["TCMDC-137442",30,null,"CCCOc1ccc2c(c1)CCN=C2/C=C/C=C/C.Br","y"]
["TCMDC-137448",30,86.79417122,"CCCOc1cc2c(cc1OCCC)C(=NC(C2)C)C=Cc3ccc(cc3Cl)Cl.Cl","n"]
["TCMDC-137450",30,76.63578183,"CCCCOc1cc2c(cc1OCC)C(=NCC2)C=Cc3ccc(cc3Cl)Cl.Cl","n"]
["TCMDC-141993",30,35.87333719,"COc1cc2c(cc1OC)C(=NCC2)C(=O)c3ccccc3.Cl","n"]
["TCMDC-137522",30,-9.659090909,"c1ccc(cc1)C2=NCCc3c2c(ccc3Cl)O","n"]
["TCMDC-137453",31,null,"c1ccc(cc1)CCCNC(=N)c2cccc(n2)C(=N)NCCCc3ccccc3.Cl","y"]
["TCMDC-137455",31,116.1813447,"CC(CNC(=N)c1cccc(n1)C(=N)NCC(C)Oc2cccc(c2)C3CCCCC3)Oc4cccc(c4)C5CCCCC5.Cl","n"]
["TCMDC-137452",31,115.6131629,"c1cc(nc(c1)C(=N)NCCCCC2CCCCC2)C(=N)NCCCCC3CCCCC3.Cl","n"]
["TCMDC-137456",31,113.6749968,"c1ccc(cc1)C2CC2CNC(=N)c3cccc(n3)C(=N)NCC4CC4c5ccccc5","n"]
["TCMDC-124805",32,null,"c1cc(ccc1CC2CCN(CC2)C(=O)c3ccc(o3)N(=O)=O)C(F)(F)F","y"]
["TCMDC-124798",32,106.6285068,"CC(C)(C)c1ccc2c(c1)n(c(=O)o2)C3CCN(CC3)C(=O)c4ccc(o4)N(=O)=O","n"]
["TCMDC-124787",32,93.46867298,"Cc1ccc2c(c1)c(cn2C)C3CCN(CC3)C(=O)c4ccc(o4)N(=O)=O","n"]
["TCMDC-124804",32,44.32508174,"c1ccc2c(c1)c(cn2Cc3cccc(c3)F)C4CCN(CC4)C(=O)c5ccc(o5)N(=O)=O","n"]
["TCMDC-139222",33,null,"CCN(CC)Cc1cc(ccc1O)Nc2c3ccc(cc3nc4c2c(ccc4)OC)Cl.Cl","y"]
["TCMDC-142278",33,57.85844392,"CC(C)NCc1cc(ccc1O)Nc2c3ccc(cc3nc4c2cc(cc4)OC)Cl","n"]
["TCMDC-142013",33,-78.52549529,"COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)Nc4ccc(c(c4)CN5CC6CCC(C5)CC6)O.Cl","n"]
["TCMDC-136560",34,null,"CCn1c2c(cn1)c(c(c(n2)C)CNC(=O)c3ccnn3C)NC4CCOCC4","y"]
["TCMDC-136620",34,94.40559441,"CCc1c(c(c2cnn(c2n1)CC)NC3CCOCC3)CNC(=O)N4CCOCC4","n"]
["TCMDC-136386",34,-4406.466395,"CCc1c(c(c2cnn(c2n1)CC)NC3CCOCC3)CNC(=O)c4ccoc4C","n"]
["TCMDC-125114",35,null,"Cc1c(c2ccccc2[nH]1)C(=O)C(C)Sc3[nH]c(nn3)c4ccccc4Br","y"]
["TCMDC-123710",35,82.48785448,"c1ccc2c(c1)c(c[nH]2)C(=O)CSc3[nH]c(nn3)c4ccccc4Br","n"]
["TCMDC-125133",36,null,"CC(C)[C@@H](C(=O)Nc1cccc(c1)OC)n2c(=O)c3ccccc3[nH]c2=O","y"]
["TCMDC-125004",37,null,"CCOc1ccc2c(c1)c(c3ccc(cc3n2)NC(=O)c4ccco4)N","y"]
["TCMDC-134315",38,null,"Cc1c2cc(ccc2[nH]n1)c3ccc4c(c3)c(ccn4)N5CCC(CC5)N.Cl","y"]
["TCMDC-123886",39,null,"c1ccc2c(c1)cc(nc2NC(=O)c3cccc(c3)Cl)c4ccccn4","y"]
["TCMDC-124011",40,null,"c1cc(ccc1c2c3ccc(cc3s(=O)c2Cl)Cl)Cl","y"]
["TCMDC-142295",41,null,"c1ccc2c(c1)c(cc(n2)C=Cc3ccc(o3)N(=O)=O)N","y"]
["TCMDC-142246",42,null,"c1ccc(c(=O)c(c1)Br)Br","y"]