Drug_ID,Drug,Y
CHEMBL2325714,CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc(N)c3)n2)CC1,1.35
CHEMBL256985,CCN1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1,1.14
CHEMBL298384,COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O,2.6
CHEMBL205807,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3c[nH]c4ccccc34)sc21,2.35
CHEMBL1652621,Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12,2.36
CHEMBL211866,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1,1.38
CHEMBL149979,Nc1nc(-c2ccccc2)nc2c1nc(O)n2Cc1ccccc1,4.16
CHEMBL2104888,O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@H](O)[C@H](O)C1)c1cc2cc(Cl)ccc2[nH]1,2.8
CHEMBL1222381,O=C(NC1CC1)c1cc(-c2cccs2)on1,2.54
CHEMBL1645493,CNC(=O)c1ccc2c(=O)cc(-c3cccnc3)[nH]c2c1,1.01
CHEMBL324519,Oc1nc2ccccc2c(O)c1-c1ccccc1,0.73
CHEMBL2335121,CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1,1.18
CHEMBL211677,Cc1ccc2c(c1)c(-c1cc(C)nc3ccccc13)c(C)n2CC(=O)O,2.88
CHEMBL1644,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,-0.86
CHEMBL271013,C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12,3.12
CHEMBL1909282,O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1,-0.22
CHEMBL2018953,O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1,2.27
CHEMBL2177167,CCN(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,2.0
CHEMBL121889,CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C#N)cn4)CC3)c(F)c2)C(=O)O1,1.98
CHEMBL517712,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,-0.66
CHEMBL11,CN(C)CCCN1c2ccccc2CCc2ccccc21,2.49
CHEMBL17,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,0.92
CHEMBL1405928,c1ccc(CSc2nc3cccnc3[nH]2)cc1,3.22
CHEMBL1201236,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,-0.7
CHEMBL1201,CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,3.16
CHEMBL520925,COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1OC,3.6
CHEMBL1230668,CN(C)c1cccc2c(S(=O)(=O)N(C)CC(=O)O)cccc12,-1.45
CHEMBL1934420,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCN(C)CC2)cc1,0.8
CHEMBL1940108,COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1,3.11
CHEMBL932,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,3.97
CHEMBL1940286,COc1ccc(CNC(=O)c2ccc(Oc3ccc(C#C[C@]4(O)CN5CCC4CC5)cc3)cc2)nc1,3.1
CHEMBL271703,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12,2.89
CHEMBL585367,Cc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1,2.47
CHEMBL2140607,CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21,0.6
CHEMBL1703687,O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1,3.4
CHEMBL1623092,NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,2.69
CHEMBL2346972,Fc1ccc(CN2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1,2.8
CHEMBL1431736,CC(NC(=O)c1cc(O)nc2ccccc12)c1ccccc1,2.2
CHEMBL561368,CC(C)NC(=O)c1cnc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c(Cl)c1,3.57
CHEMBL402934,Clc1ccc2c(c1Nc1ccnc(Nc3ccccc3)n1)OCO2,3.9
CHEMBL515605,CNC1=Nc2ncccc2C(c2ccco2)=NC1c1ccns1,1.44
CHEMBL550904,CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1,3.61
CHEMBL2171169,CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,2.2
CHEMBL182266,CN(C(=O)c1ccncc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,2.8
CHEMBL1760039,COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC,3.41
CHEMBL2011932,COc1ccc(-c2nc3c(NCCCNC(=O)C4(CN)CC4)c(Br)cnc3[nH]2)cc1,1.9
CHEMBL237616,O=C(COc1ccccc1)N1CCOCC1,0.75
CHEMBL281266,O=C1NC(=O)C(Cc2ccc3ccccc3c2)S1,2.41
CHEMBL289959,c1ccc(Nc2ncnc3ccccc23)cc1,2.94
CHEMBL379738,O=C(CS(=O)(=O)c1ccccc1)c1ccccc1,1.86
CHEMBL1951902,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C(C)=O)CC2)CC1,0.9
CHEMBL49,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,2.19
CHEMBL47633,Nc1nc(-c2ccccc2)ns1,2.2
CHEMBL1242565,C[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,1.66
CHEMBL2164684,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4cc(F)ccc4c3C2)CC1,2.99
CHEMBL421236,C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21,3.6
CHEMBL1272,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,2.31
CHEMBL1944694,COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,0.8
CHEMBL2172001,Cc1nnc(C)c2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12,1.93
CHEMBL575492,COc1ccccc1Nc1cc(Oc2cc(C)c(C)nc2-c2ccccn2)ccn1,3.37
CHEMBL1916278,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)c(C)nn2-c2ccccc2)cc1,0.16
CHEMBL157101,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,3.7
CHEMBL230641,CC(C)c1ccccc1Nc1nc(SCc2cccs2)n[nH]1,4.21
CHEMBL1945298,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3cccc(CNCCc4ccccc4F)c3)c2s1,1.86
CHEMBL393384,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ccc1Cl,1.83
CHEMBL628,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,0.22
CHEMBL455651,CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1F,3.31
CHEMBL2207654,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12,3.02
CHEMBL1829254,CCC(c1nc2ccsc2c(=O)n1Cc1cccnc1)N(CCCN)C(=O)c1ccc(C)cc1,0.01
CHEMBL250516,COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)nc2c1,2.46
CHEMBL1762178,CC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1,2.93
CHEMBL1221607,NC1=NC(c2cccs2)Nc2cccc(F)c21,0.91
CHEMBL1630130,O=C(CCN1CCCCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c12,2.9
CHEMBL1092926,Fc1cc(-c2cccc3ncc(-c4cnn(C5CCNCC5)c4)nc23)cc(F)c1CN1CCOCC1,1.86
CHEMBL315985,NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21,0.79
CHEMBL2172007,C[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1,2.35
CHEMBL2335898,C[C@@H](NC(=O)C1CCCCN1C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.34
CHEMBL193093,NC(=O)c1sc(-c2ccsc2)cc1N,2.23
CHEMBL216769,COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN1CCC(CO)CC1,2.11
CHEMBL258176,Cc1cc(CN2CCN(C(C)C)CC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1,1.44
CHEMBL1083637,CCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1,3.29
CHEMBL484901,NC(Cc1c[nH]c2ccccc12)C(=O)O,-1.17
CHEMBL62993,O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2C1=O,2.7
CHEMBL2069421,COc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OCC(F)(F)F)nc2)CO3)cn1,4.3
CHEMBL2030798,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc2)n1,-0.31
CHEMBL2208426,CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)s1,2.86
CHEMBL190812,C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccccc1,2.91
CHEMBL51583,O=C1C(=O)c2cc(-c3ccsc3)ccc2-c2ccccc21,3.1
CHEMBL2144380,COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1OC,3.16
CHEMBL517534,O=C(Nc1nccs1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,2.55
CHEMBL1595582,COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1,4.05
CHEMBL1950725,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCCCC1,0.81
CHEMBL1306424,Cc1ccnc(NCc2ccc(Cl)cc2)c1,3.6
CHEMBL1290078,Cc1nc(C(=O)N2CCCC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1,0.64
CHEMBL403672,COc1cc(Nc2ncnc(Nc3c(Cl)ccc4c3OCO4)n2)cc(OC)c1OC,3.01
CHEMBL1233652,O=C(O)CCC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1,1.95
CHEMBL1917462,Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)nccc2n1CC(=O)O,0.92
CHEMBL2164668,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3oc4ccccc4c3C2)CC1,3.01
CHEMBL183425,CN1CCN(CCCOc2ccc(-c3cc(-c4ccc(F)cc4)no3)cc2)CC1,3.81
CHEMBL2048866,N[C@@H]1CCCN(c2c(Cl)cccc2/C=C2\SC(=O)NC2=O)C1,1.97
CHEMBL1609158,CCCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,3.37
CHEMBL1381135,COc1cnc(-c2ccccn2)nc1N(C)C,1.9
CHEMBL2059864,Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1,3.19
CHEMBL1689117,O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0.99
CHEMBL1455,CN(C)c1nc(N(C)C)nc(N(C)C)n1,2.44
CHEMBL129982,Nc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1,3.45
CHEMBL187368,O=c1c2ccccc2oc2cccc(O)c12,3.8
CHEMBL715,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,2.19
CHEMBL325681,COc1cccc(-c2cc(O)c3cc(NC(C)=O)ccc3n2)c1,2.41
CHEMBL1818381,O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CC[N+](=O)[O-])CC3)c(F)cc2c1=O,0.22
CHEMBL2325696,C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1,2.8
CHEMBL495383,O=C(Nc1cccc(CCO)c1)c1cc2cc(Cl)ccc2[nH]1,3.83
CHEMBL387125,CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2c1c(=O)n(C)c(=O)n2CC(C)C,2.23
CHEMBL322019,C#CCN(c1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1)c1cc(Cl)ccc1Cl,3.2
CHEMBL2036572,O=C(Nc1ccc(N2CCOCC2)cn1)c1nnc(Nc2ccccc2F)o1,2.4
CHEMBL1084863,NS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1,2.86
CHEMBL1934416,COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1,0.61
CHEMBL1762543,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(OC3CCOCC3)cc(N3CCOCC3)c2)n1,3.7
CHEMBL1575541,CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1,2.15
CHEMBL409494,Nc1ccccc1NC(=O)c1ccc(C2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1,2.76
CHEMBL1778865,COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1,1.8
CHEMBL2011441,COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1,0.99
CHEMBL376055,CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c(O)c(O)c1O,0.75
CHEMBL1778635,N#Cc1ccc(F)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1,-0.16
CHEMBL181,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,1.05
CHEMBL118755,O=c1[nH]n(Cc2ccncc2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,-0.16
CHEMBL1762157,CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N2CCOCC2)c1,3.73
CHEMBL1599839,Oc1nc2ccccc2nc1NCc1ccccc1,3.3
CHEMBL2031160,O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)cc1)C(=O)O)c1c(Cl)cccc1Cl,0.33
CHEMBL2207671,CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,2.63
CHEMBL383235,CC[C@@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12,2.99
CHEMBL498,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,-0.33
CHEMBL1419,CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,3.6
CHEMBL1957374,CCc1ccccc1-c1ccc(-c2nc3ccncc3c(O)c2C#N)cc1,3.5
CHEMBL1459468,COc1ccccc1C(=O)Nc1nc2ccccc2[nH]1,2.9
CHEMBL91023,CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCCC(O)(c3ccc(Cl)c(Cl)c3)C2)cc1,3.93
CHEMBL226855,O=c1[nH]n(Cc2cccs2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,1.52
CHEMBL1682825,O=C1CCOc2nc(CCc3ccccc3)ccc21,2.5
CHEMBL476518,Cc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C,3.51
CHEMBL13863,CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(O)nc(O)nc2c1=O)C(=O)C(F)(F)F,1.88
CHEMBL2207607,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CCc1nn[nH]n1,-0.34
CHEMBL2347762,O=C1C2=Nc3ccccc3CN2c2ccccc21,2.71
CHEMBL48616,Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2ccncc2)c1,4.3
CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,1.78
CHEMBL169186,COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1,2.05
CHEMBL1778653,CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(N)=O)c(C)c1,2.77
CHEMBL1669156,COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1,2.3
CHEMBL575448,C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,3.16
CHEMBL290548,COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1,1.88
CHEMBL380648,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1,0.1
CHEMBL550496,O=C(O)CNCCNc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1,1.94
CHEMBL2349309,CC(C)C[C@H](CO)Nc1nc(SCc2ccncc2)nc2nc(N)sc12,2.9
CHEMBL20210,CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1,2.8
CHEMBL379787,O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1,3.3
CHEMBL437765,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,1.19
CHEMBL214637,CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1,2.19
CHEMBL2110360,CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC,3.13
CHEMBL1270772,CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c3OCC4)n2)c1,3.0
CHEMBL2335875,COCCNC(=O)c1cccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)c1,3.21
CHEMBL1950854,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(OC)cc2)C1)C(C)(C)C,1.45
CHEMBL2017259,N#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)cc1,2.2
CHEMBL1807825,CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,0.41
CHEMBL2059380,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cc(-c4n[nH]c(=O)o4)cnc3OC)cnc2[nH]1,2.91
CHEMBL1289926,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,3.8
CHEMBL436968,CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12,3.68
CHEMBL2331749,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4ccc(Cl)cc4)c3)C2)c(=O)[nH]c1=O,2.12
CHEMBL1643200,Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,2.41
CHEMBL1598315,CNC(=O)c1snnc1-c1ccccc1,1.23
CHEMBL213494,Cc1ccc2c(c1)c(-c1ccnc3c(S(C)(=O)=O)cccc13)c(C)n2CC(=O)O,-0.34
CHEMBL1625198,Clc1ccc(C2=CSC3=NCCN23)cc1Cl,1.54
CHEMBL11403,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.12
CHEMBL1822878,Oc1ccc(Br)c2ccccc12,4.3
CHEMBL2177602,CCc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1,0.9
CHEMBL276218,O=C1CCCCCN1,-0.08
CHEMBL1779013,COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1,3.2
CHEMBL2325983,NC1(C(=O)NC(c2ccc(Cl)cc2)C2CC2)CCN(c2ncnc3[nH]ccc23)CC1,3.4
CHEMBL2179281,CCCCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,1.69
CHEMBL57531,Nc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1,2.06
CHEMBL44326,Oc1cccc(-c2nc3ccc(O)cc3s2)c1,3.7
CHEMBL1230122,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,2.76
CHEMBL1940307,CNS(=O)(=O)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,2.03
CHEMBL487273,NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1CCCNC1,1.27
CHEMBL341175,CN(C)C(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2cc(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,2.52
CHEMBL92840,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)cc1)C(F)(F)F,2.15
CHEMBL2346967,N#Cc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1,2.9
CHEMBL2164675,CN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)NCC#N)CC1,-0.1
CHEMBL1945041,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4Cl)c3)c2s1,1.85
CHEMBL1779003,COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1,2.29
CHEMBL2158782,Cc1cc(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc1Cl,2.54
CHEMBL1369407,CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,3.17
CHEMBL2325989,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccccn1,1.3
CHEMBL1289349,O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2)CC1,2.74
CHEMBL621,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,2.67
CHEMBL422648,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,0.47
CHEMBL325093,O=S(=O)(CCOCc1cccc2ccccc12)NCCCNCCc1ccc(O)c2nc(O)sc12,1.69
CHEMBL2158792,Cc1cc(OC2CCN(CC3CCN([C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc1Cl,2.08
CHEMBL474200,CNC1=Nc2ncccc2C(c2ccccc2)=NC1c1cccs1,2.68
CHEMBL1908856,COc1ccc(NC(=O)c2ccc(-c3ccncc3)c(C)c2)cc1N1CCN(C)CC1,2.56
CHEMBL179242,O=c1cc(N2CCOCC2)nc2c3ccccc3ccn12,2.78
CHEMBL1303766,CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1,-0.2
CHEMBL1727809,O=C(NCCCCc1ccccc1)c1ccccc1,3.8
CHEMBL2086694,C[C@@H]1CN(c2noc(C(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1,2.85
CHEMBL1539253,Cc1ccnc(NCc2c(O)ccc3ccccc23)c1,4.24
CHEMBL163,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,4.3
CHEMBL248380,CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(N[C@H](C)C(=O)O)c2C#N)cc1,2.5
CHEMBL941,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,2.5
CHEMBL1809195,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1,2.9
CHEMBL2326693,OCCN1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1,2.37
CHEMBL1778365,COC[C@H](C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,0.95
CHEMBL1762530,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,2.94
CHEMBL74380,COC1/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C\C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O,0.7
CHEMBL173809,CC(C)C(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1,3.6
CHEMBL97,C=CC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12,2.16
CHEMBL413742,CCCCC(CC)CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc1OC)cn2C,3.66
CHEMBL1718354,Cc1cccc(NC(=O)NCC(c2cccnc2)N2CCOCC2)c1,2.0
CHEMBL296572,COc1cccc(-c2c[nH]c(-c3ccccc3)n2)c1,3.8
CHEMBL6800,COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,1.9
CHEMBL573735,COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC,3.21
CHEMBL465955,C[C@@H]1CN(CC2(C(N)=O)CC2)CCN1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1,1.03
CHEMBL1235242,N[C@@H](Cc1ccc(F)cc1)C(=O)O,-1.06
CHEMBL419763,Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1,4.13
CHEMBL2326470,Nc1nc2cc3c(cc2s1)CCN(Cc1cnc[nH]1)CC3,-0.12
CHEMBL1417095,O=c1c2ccccc2nc2n1CCO2,0.6
CHEMBL87543,CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1,2.3
CHEMBL1257599,CNc1ncnc2c(CNc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3C)cccc12,4.0
CHEMBL232656,C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O,1.91
CHEMBL1951894,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1,3.21
CHEMBL192894,COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1,3.37
CHEMBL592374,Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl,1.96
CHEMBL1095,CCN1C(=O)NC(c2ccccc2)C1=O,1.0
CHEMBL1343931,Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1,1.8
CHEMBL552512,O=C(CC1CCCCCC1)Nc1cccc2c(=O)n([C@H]3CCNC3)ccc12,1.15
CHEMBL250961,Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1,4.0
CHEMBL1689118,CC1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1,0.31
CHEMBL1079590,CC(C)Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1,3.72
CHEMBL1055,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,0.97
CHEMBL644,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,2.95
CHEMBL2062577,CC(=O)N(C)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1,2.9
CHEMBL1783119,COc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1,3.5
CHEMBL1946616,CN1CCN(C(=O)c2ccc(C(=C3CCN(Cc4cscn4)CC3)c3cccc4cccnc34)cc2)CC1,1.98
CHEMBL1917456,Cc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O,-0.98
CHEMBL2207603,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)CCC(=O)O,-0.53
CHEMBL2178372,Cc1nc(C)c(-c2ccc(C34CCC(CC(=O)O)(CC3)CC4)cc2)nc1C(N)=O,1.6
CHEMBL2062579,CS(=O)(=O)Cc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1,2.49
CHEMBL426576,CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C#N)c3)c(F)c2)C(=O)O1,1.51
CHEMBL2031563,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(F)cc2[nH]cnc12,0.29
CHEMBL1290185,Cc1nc(C(=O)N2CCCC3(CCN(Cc4ccccc4)CC3)C2)cs1,0.24
CHEMBL1457701,O=c1cc(O)oc2c1c(=O)n(Cc1ccccc1)c1ccccc21,1.97
CHEMBL105984,CCC[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,2.27
CHEMBL447183,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1,0.79
CHEMBL322722,Cc1ccc(CCCOCCS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)s1,2.41
CHEMBL1809061,COc1cc(N2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,2.4
CHEMBL639,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,2.46
CHEMBL477785,Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(=O)(=O)CCN(C)C)CC4)cc3)n2)n1C(C)C,2.52
CHEMBL496483,Brc1cnc(NCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1,4.11
CHEMBL2164748,COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1,0.9
CHEMBL1824608,O=C(Nc1ccccc1)c1ccc(OCCCN2CCCC2)cc1OCc1cccc(F)c1,3.67
CHEMBL254165,Nc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1,2.51
CHEMBL1683035,COc1cc2nnc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1,2.36
CHEMBL1201212,COc1ccc(OC)c(C(O)CNC(=O)CN)c1,-0.71
CHEMBL211631,COc1cccc2c(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)ccnc12,0.49
CHEMBL1224139,NC(=O)c1cc(F)cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,2.14
CHEMBL1784338,Cc1cc(CCC2CCN(S(=O)(=O)CC3(N(O)C=O)CCOCC3)CC2)c(C)cn1,1.43
CHEMBL250132,C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,3.22
CHEMBL402311,O=C(N[C@@H](Cc1ccc(N2CCN(c3ccccc3)CC2)cc1)C(=O)O)c1c(Cl)cccc1Cl,0.08
CHEMBL282694,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)NCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.57
CHEMBL479447,COc1cc2c(Nc3ccc(F)cc3F)c(C(N)=O)cnc2cc1NCCN(C)C,1.71
CHEMBL1500992,O=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1,3.2
CHEMBL210884,COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1,2.26
CHEMBL1783286,COc1ncc(C)cc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12,3.4
CHEMBL433936,COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC,2.64
CHEMBL2059865,Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,3.01
CHEMBL2048873,N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccncc2)C1,1.56
CHEMBL1762549,COCCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C,2.8
CHEMBL101253,Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,3.7
CHEMBL443,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,-0.56
CHEMBL1163803,CCN(C(=O)NCc1c(F)cccc1F)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,4.3
CHEMBL2030957,O=C(N[C@@H](Cc1cccc(OCCCNc2ccccn2)c1)C(=O)O)c1c(Cl)cccc1Cl,0.16
CHEMBL1271394,CN(c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12,3.21
CHEMBL11098,CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.47
CHEMBL1123,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,3.72
CHEMBL179190,O=C1O[C@@H](Cn2nncc2F)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1,3.54
CHEMBL445162,CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,3.13
CHEMBL516601,COc1cc2ncc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC,3.34
CHEMBL2088094,CCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)n[nH]1,3.63
CHEMBL198497,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1,2.09
CHEMBL589,CCCN(CCC)CCc1cccc2c1CC(=O)N2,0.76
CHEMBL1981679,CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1,0.64
CHEMBL1214185,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,1.8
CHEMBL303165,COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc1,2.5
CHEMBL2349335,CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12,4.2
CHEMBL1491421,CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccccc1)C3=O,1.9
CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,3.6
CHEMBL2171049,Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4)CC3)CC2)cc1,1.6
CHEMBL2325699,CS(=O)(=O)C1(c2cc(N3CC4CCC(C3)O4)nc(-c3cccc4[nH]ccc34)n2)CC1,2.6
CHEMBL1164729,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,0.94
CHEMBL2335897,C[C@@H](NC(=O)[C@H]1CCCCN1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.15
CHEMBL1397672,Cc1[nH]c2nc(NCc3cccc(Br)c3)nn2c(=O)c1Cc1ccccc1,3.68
CHEMBL440405,CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,1.5
CHEMBL2068817,COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1,3.0
CHEMBL1807820,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3cccc4ccccc34)c2s1,3.12
CHEMBL2153183,CCCSc1nc(N[C@H]2CC[C@H](C(=O)O)CC2)ccc1C(=O)NC1CCCCC1,2.02
CHEMBL170984,COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCC1CCN(C)CC1,1.83
CHEMBL2086674,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cn2)cn1,3.0
CHEMBL1524929,COc1ccccc1C(=O)Nc1nc2ccccc2s1,3.61
CHEMBL1770476,CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1,4.31
CHEMBL128514,CNC(=O)c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1,3.5
CHEMBL10975,CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.02
CHEMBL189963,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,0.8
CHEMBL479847,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1OC,2.95
CHEMBL1824369,N#Cc1ccccc1COc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1,2.34
CHEMBL2164672,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCCC1,0.9
CHEMBL1600099,O=C1CN(C(=O)c2ccccc2)C(c2ccccc2)c2cc(Cl)ccc2N1,3.31
CHEMBL1214827,CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,2.5
CHEMBL398295,CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1,3.97
CHEMBL1449167,Nc1n[nH]c(Nc2ccccc2)n1,1.06
CHEMBL2349339,CCC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12,3.8
CHEMBL782,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0.44
CHEMBL1951182,COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(=O)CCC(=O)O,-0.72
CHEMBL1489611,Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1,3.0
CHEMBL2152918,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cncc(Br)c3)cc1C21N=C(C)C(N)=N1,3.4
CHEMBL1682957,CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.81
CHEMBL1682972,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1cccnc1,2.2
CHEMBL327151,O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1,3.4
CHEMBL81642,COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21,2.2
CHEMBL1650731,C[C@H](Nc1ncc(F)c(Nc2cc(N(C)C)[nH]n2)n1)c1ncc(F)cn1,1.98
CHEMBL98350,O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,2.9
CHEMBL1113,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,2.28
CHEMBL2062563,CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1,3.29
CHEMBL1835904,CCOC(=O)c1ccc(COCC2CCN(c3ccc(C)nn3)CC2)cc1,2.68
CHEMBL2030799,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(=O)O)cc2)n1,-0.04
CHEMBL2153189,CCCSc1nc(N2CCC(C(=O)O)CC2)ccc1C(=O)NC1CCCCC1,1.6
CHEMBL2094541,COc1cc(OC)nc(-n2ncc(Cl)c(Cl)c2=O)n1,1.4
CHEMBL1778612,O=C(O)COc1ccc([N+](=O)[O-])cc1-c1ccccc1,-0.69
CHEMBL2177611,CCCSc1c(C(=O)NC2CCCCC2)cnn1[C@H]1CC[C@@H](C(=O)O)CC1,1.39
CHEMBL2089280,Cc1ccc(-c2cccc([S@]3(=O)=NC(=O)[C@H](C)N3)c2)cc1,1.6
CHEMBL2110732,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,4.1
CHEMBL1477,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,1.72
CHEMBL93,CC(c1cc2ccccc2s1)N(O)C(N)=O,2.05
CHEMBL475386,CNC1=Nc2ncccc2C(c2ncco2)=NC1c1cccs1,1.14
CHEMBL2158785,Cc1c(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(C#N)c1Cl,2.19
CHEMBL1442864,Cc1cc2c(C)cc(=O)oc2c2c1NCCC2,2.9
CHEMBL279416,Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncc2)cc1,0.3
CHEMBL229948,O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1Cl,2.49
CHEMBL81,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,4.13
CHEMBL2035039,NC1(c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)CCC1,1.6
CHEMBL1288103,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(Cl)c(F)c3)sc12,2.76
CHEMBL1374738,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,-0.12
CHEMBL284237,C[C@]12N[C@H](Cc3ccccc31)c1ccccc12,1.6
CHEMBL1807854,C[C@H]1O[C@@H](n2cnc3c(N)nc(Oc4ccccc4)nc32)[C@H](O)[C@@H]1O,1.05
CHEMBL108,NC(=O)N1c2ccccc2C=Cc2ccccc21,1.65
CHEMBL2036747,O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccccc1,1.02
CHEMBL2036760,O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1,4.06
CHEMBL182074,CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1,2.89
CHEMBL2321991,OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,0.61
CHEMBL1741132,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=N1,1.35
CHEMBL384536,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3c[nH]c4ncccc34)sc21,2.04
CHEMBL1944692,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4F)cc3)c2s1,1.3
CHEMBL1944691,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccc4F)c3)c2s1,1.06
CHEMBL1567398,Cc1[nH]c2nc(NCc3cccc(Cl)c3)nn2c(=O)c1Cc1ccccc1,3.6
CHEMBL2010833,CN(C(=O)Cc1ccc(S(C)(=O)=O)c(F)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,3.0
CHEMBL1201391,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,1.55
CHEMBL549620,O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)ccc2nc(CN3CCN(CCO)CC3)ccc12,2.93
CHEMBL526098,Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)n1,2.42
CHEMBL2158534,CC1(c2nc(N3CCOCC3)ncc2C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)CC1,2.0
CHEMBL1371,O=c1[nH]c2cc(Cl)ccc2o1,2.16
CHEMBL2078873,NC(=O)Nc1cc(-c2cccc(F)c2F)sc1C(=O)N[C@H]1CCCNC1,1.32
CHEMBL6412,COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,1.74
CHEMBL1950856,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(Br)cc2)C1)C(C)(C)C,2.92
CHEMBL130902,COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(c2ccc(O)cc2[S+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1,3.5
CHEMBL387658,CC(C#Cc1ccccc1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,1.4
CHEMBL1363,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0.42
CHEMBL808,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,2.54
CHEMBL1199945,COCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1,3.4
CHEMBL1527495,O=S(=O)(Nc1cccc2[nH]ncc12)c1cccs1,1.7
CHEMBL1809200,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(OC)cccn23)n1,3.5
CHEMBL2325990,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(S(C)(=O)=O)cc1,1.0
CHEMBL1916281,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1,1.21
CHEMBL2335904,C[C@@H](NC1=CC(=O)CC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.2
CHEMBL1807855,Nc1nc(OCc2nccs2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O,0.47
CHEMBL1715893,CC1CC(CN)CC(CO)C1,-1.4
CHEMBL1784354,CC(C)(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O,1.07
CHEMBL2158780,Cc1cc(Cl)ccc1OC1CCN(CC2CCN([C@@H](Cc3ccc(F)cc3)C(=O)O)CC2)CC1,2.53
CHEMBL1778617,O=C(O)COc1ccc(-c2nccs2)cc1-c1ccccc1,-0.16
CHEMBL180966,CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O,2.86
CHEMBL837,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.6
CHEMBL1950720,CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1,2.47
CHEMBL1669161,C=CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1,3.0
CHEMBL1337984,Nc1ccc2nc(-c3ccc(O)cc3)sc2c1,3.1
CHEMBL366255,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.83
CHEMBL1448843,O=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,1.6
CHEMBL2335887,COCCC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.78
CHEMBL515311,Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H](C)O)CC4)cc3)n2)n1C(C)C,2.15
CHEMBL183843,COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1OC,3.67
CHEMBL298019,CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1,4.42
CHEMBL51,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,2.9
CHEMBL2171038,Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.71
CHEMBL1689122,CC1CN(S(=O)(=O)c2ccccc2)CCN1Cc1cc(Cl)ccc1OCC(=O)O,0.69
CHEMBL1682836,CN1CCOc2cc(COC3CCCCC3)cnc21,3.1
CHEMBL2208423,N#Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,3.48
CHEMBL92484,CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1,1.57
CHEMBL1172929,C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1,1.69
CHEMBL2177157,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2F)CC1,2.66
CHEMBL1946016,CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccccn2)cc1,3.28
CHEMBL2036751,CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.94
CHEMBL188369,C[C@@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccccc1,3.14
CHEMBL325475,CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21,3.75
CHEMBL2325736,CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.2
CHEMBL478241,Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)n1C(C)C,3.31
CHEMBL182682,COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC,3.4
CHEMBL404687,O=C(O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1,1.65
CHEMBL1320527,Cc1occc(=O)c1OCc1ccc(F)cc1,1.91
CHEMBL1778646,CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(Cl)c1,-0.43
CHEMBL2036737,CC(C)(C(=O)Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccc(Cl)cc1,2.96
CHEMBL103771,C/N=C(\S)n1nc(-c2ccc(Cl)cc2)nc1N,4.12
CHEMBL1481866,NC(=O)c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1,1.7
CHEMBL304784,CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,2.6
CHEMBL16293,c1ccc2ccccc2c1,3.29
CHEMBL232433,C[S+]([O-])CCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21,3.17
CHEMBL1790041,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,-0.95
CHEMBL255536,COc1ccc(CC(=O)NC(N/C(=N/C#N)Nc2ccccc2C)C(C)(C)C)cc1OC,2.48
CHEMBL451286,C[C@@](N)(Cc1ccccc1)c1ccccc1,1.7
CHEMBL2086650,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(S(C)(=O)=O)cc3)cn2)CC1,3.27
CHEMBL1213118,CN1CCN(c2nc3ccccc3cc2Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc32)CC1,3.09
CHEMBL356894,Nc1ncnc2[nH]ccc12,1.78
CHEMBL1455477,COc1ccccc1CNc1cc(C)ccn1,3.28
CHEMBL443809,CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21,2.7
CHEMBL2364624,O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1,3.8
CHEMBL2325994,NC1(C(=O)NC(CCCN2CCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1.3
CHEMBL98760,CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2c1,2.78
CHEMBL301928,COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12,2.0
CHEMBL1916535,O=C1COc2ccccc2N1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1,1.04
CHEMBL1940316,O=C(NC1CCS(=O)(=O)C1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,1.64
CHEMBL23,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,1.99
CHEMBL1835906,CCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)CCO2)cc1,2.7
CHEMBL1180237,CCC(c1cccnc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O,0.7
CHEMBL567161,CCNc1nc(C#N)nc(Nc2ccccc2)n1,3.11
CHEMBL1219,COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C,-0.69
CHEMBL90846,O=C(Nc1nccs1)c1ccccc1,2.43
CHEMBL1933593,C[C@H]1O[C@@H](n2cnc3c(N)nc(OC(C4CC4)C(F)(F)F)nc32)[C@H](O)[C@@H]1O,1.83
CHEMBL1385161,CC(=O)Nc1nc(N)n(-c2ccccc2)n1,-0.2
CHEMBL1951907,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC)CC2)CC1,1.63
CHEMBL194102,O=C(O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1,2.7
CHEMBL317378,CN(C)CC(O)COc1ccc(Nc2cc(N(CCC#N)c3cc(Cl)ccc3Cl)ncn2)cc1,2.1
CHEMBL300791,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1,3.3
CHEMBL2180015,CC#Cc1ccnc(-c2cc(C3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1,3.6
CHEMBL2207281,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12,2.06
CHEMBL421,O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,-0.58
CHEMBL2046684,O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(Cl)c1,3.64
CHEMBL8232,COc1cccc(Oc2cncnc2O)c1,0.59
CHEMBL1777848,O=c1oc2c(O)cccc2cc1-c1ccc(O)cc1,2.8
CHEMBL219861,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3ccnc4ccccc34)sc21,2.14
CHEMBL1288102,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3F)sc12,1.97
CHEMBL84597,CC(C)n1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21,3.97
CHEMBL404108,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,1.02
CHEMBL201800,Nc1nc2nc(SCc3ccccc3)nc(N)c2s1,3.1
CHEMBL223166,COc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,0.9
CHEMBL2182002,Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1,2.6
CHEMBL376291,O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,3.1
CHEMBL2068760,CN1CCC[C@H]1c1ccccn1,0.44
CHEMBL2003130,O=c1[nH]c(-c2ccccc2)nc2cc(Cl)ccc12,3.31
CHEMBL292303,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,-0.92
CHEMBL2153175,CCCSc1ncccc1C(=O)N(C)C1CCCCC1,3.36
CHEMBL1916544,COc1ncc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1,-0.14
CHEMBL315157,CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1,3.04
CHEMBL319165,CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1,3.4
CHEMBL1916283,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1,1.2
CHEMBL1934426,Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C,1.23
CHEMBL564607,O=C(O)c1ccc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)cc1,2.48
CHEMBL2313078,O=C(Nc1ccc(F)cc1F)c1cc(Cl)ccc1O,3.6
CHEMBL249927,O=C(CO)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,3.71
CHEMBL573108,CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br,2.32
CHEMBL2031556,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc2[nH]cnc12,-0.05
CHEMBL231835,O=C(N[C@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.3
CHEMBL2018969,COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1,2.09
CHEMBL1645496,O=c1cc(-c2cccnc2)[nH]c2cc(C(O)c3ccccc3)ccc12,2.27
CHEMBL517859,CN1CCN(C(=O)c2cc(-c3ccccc3)sc2NC(N)=O)CC1,2.17
CHEMBL833,Clc1ccccc1CN1CCc2sccc2C1,3.46
CHEMBL179993,CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.7
CHEMBL29609,Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1,3.63
CHEMBL1631467,CCCNC(=O)c1nnc2c(-c3cncc(C(=O)N4CCC4)c3)cccc2c1N,2.79
CHEMBL1477036,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,2.93
CHEMBL167059,CCCc1c(OCc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O,2.1
CHEMBL1340633,COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O,1.8
CHEMBL2164744,COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1,0.77
CHEMBL2207285,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NC3CC3)ccc12,3.67
CHEMBL1784357,O=CN(O)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1,0.85
CHEMBL1478592,Cc1c(C(=O)Nc2ccccc2)sc2ncnc(O)c12,2.13
CHEMBL112880,COc1cc(OC)cc(-c2ccc(NC(=O)OCc3ccccc3)c(=O)n2CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1,2.26
CHEMBL422,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,4.31
CHEMBL2325704,CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1,2.2
CHEMBL142703,N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,-0.48
CHEMBL1778629,CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1,-0.66
CHEMBL1688537,CCc1c(C)nc2sc(C(N)=O)c(N)c2c1C,2.62
CHEMBL259081,O=c1nc(NCc2ccccc2)sn1Cc1ccccc1,3.01
CHEMBL184721,Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,3.2
CHEMBL430381,OCC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12,3.11
CHEMBL562690,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OC2CCNCC2)ncc1Cl,1.56
CHEMBL1631473,CC1CN(C(=O)c2nnc3c(-c4ncccn4)cccc3c2N)C1,1.21
CHEMBL550777,NC1CCN(c2nccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2Cl)CC1,1.19
CHEMBL301359,c1ccc2ncncc2c1,1.0
CHEMBL2207284,CNS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,2.77
CHEMBL2035025,NC1(c2ccc(-c3ncc4nccn4c3-c3ccccc3)cc2)CCC1,1.3
CHEMBL552513,O=C(Cc1ccc(F)c(C(F)(F)F)c1)Nc1cccc2c(=O)n([C@@H]3CNC[C@H]3O)ccc12,1.33
CHEMBL1170,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,3.3
CHEMBL184,Nc1nc(O)c2ncn(COCCO)c2n1,-1.42
CHEMBL561,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,-1.1
CHEMBL1829422,CCC(c1nc2ccoc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1,1.37
CHEMBL193757,CC(C)Oc1cc(OCCc2cccnc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,0.81
CHEMBL1289110,CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O,1.33
CHEMBL484663,O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12,3.3
CHEMBL2207665,Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O,2.76
CHEMBL586906,C=CC12CCN(CC1)C(C(O)c1ccnc3ccc(OC)cc13)C2,2.08
CHEMBL311862,COc1cc(-c2nn[nH]n2)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21,2.7
CHEMBL26456,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCNCC1,1.1
CHEMBL57758,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCC1,3.28
CHEMBL578675,COc1cnc(-c2ccccn2)nc1NC(C)C,2.01
CHEMBL1612749,Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1,3.25
CHEMBL397688,O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.56
CHEMBL2088091,Cc1cc(CNc2ncc(Br)c(Nc3cc(C)[nH]n3)n2)on1,2.92
CHEMBL319136,CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1,3.6
CHEMBL423,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0.63
CHEMBL401193,Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN2CCN(CC(=O)N(C)C)CC2)c1,4.13
CHEMBL1209430,O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCC(c1ccccc1)N1CCCCCC1,3.23
CHEMBL325245,COc1cc2ncnc(NCc3ccccc3)c2cc1OC,3.29
CHEMBL2335883,CN(C)CCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,1.4
CHEMBL1329874,Clc1ccc(-c2nnc3cccc(Cl)n23)c(Cl)c1,2.88
CHEMBL2177614,CCCSc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccc(C(=O)O)cc1,0.59
CHEMBL2048500,CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1,2.42
CHEMBL2165066,N#Cc1ccc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2c1,0.66
CHEMBL1809044,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.65
CHEMBL214376,CC(C)Oc1cc(OCCCN2CCCC2)cc2ncnc(Nc3c(Cl)ccc4c3OCO4)c12,3.1
CHEMBL1209655,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1cc(Cl)cc(Cl)c1,3.36
CHEMBL1289785,O=C(CCCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,3.93
CHEMBL473622,COc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)c1,3.04
CHEMBL640,CCN(CC)CCNC(=O)c1ccc(N)cc1,-0.92
CHEMBL1796297,O=C(NCc1ccncc1)c1ccc(Oc2ccc(C#C[C@@]3(O)CN4CCC3CC4)cc2)cc1,2.31
CHEMBL2087846,Cn1cncc1-c1c2c(=O)n(CC#CCO)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,2.55
CHEMBL1542764,CSc1ncccc1C(=O)Nc1nccs1,1.43
CHEMBL242818,Cc1cc(O)ccc1N1C(=O)c2ccc(O)cc2C1=O,2.0
CHEMBL2059860,Cc1ccc(-c2c[nH]cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.81
CHEMBL2023802,CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC,3.29
CHEMBL551813,CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O,1.46
CHEMBL1824038,CCS(=O)(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,-0.11
CHEMBL1703518,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1,3.9
CHEMBL433282,O=C1C(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc21,2.42
CHEMBL107,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,0.82
CHEMBL1835909,CCOC(=O)c1ccc(OCC2CCN(c3ccc(C)nn3)C2)cc1,3.44
CHEMBL440464,CN1CCCC1c1cccnc1,0.5
CHEMBL254370,CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,2.14
CHEMBL95,Nc1c2c(nc3ccccc13)CCCC2,0.38
CHEMBL1231206,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,3.6
CHEMBL1951904,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(Cc3ccccc3)CC2)CC1,2.41
CHEMBL1682950,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccsc2)nc2ccccc12)c1ccccc1,2.66
CHEMBL1411716,CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1,3.49
CHEMBL1199988,Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccccc2o1,1.85
CHEMBL1384203,CC(NCC(O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2,3.53
CHEMBL63560,C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,2.87
CHEMBL459353,COc1ccc(N(C(=O)c2occc2CO)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,1.37
CHEMBL377136,O=C(Nc1ccccn1)c1ccccc1,2.2
CHEMBL214849,CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC,1.28
CHEMBL2325984,NC1(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,4.1
CHEMBL387545,COc1cc(N2CCN(C)CC2)c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(N(C)C)c2c1,3.3
CHEMBL93354,N#C[C@@H]1CCCN1C(=O)CNCCNc1ccc(Cl)cn1,0.99
CHEMBL64,NNC(=O)c1ccncc1,-0.57
CHEMBL26894,O=S(=O)(Nc1nccs1)c1ccc(O)cc1,0.36
CHEMBL129529,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,1.93
CHEMBL2331843,CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl,2.0
CHEMBL467148,Cn1cc(S(C)(=O)=O)nc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,2.64
CHEMBL10,C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,3.34
CHEMBL1907763,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1,2.9
CHEMBL1770298,Cc1ccc(C(NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1,4.05
CHEMBL109614,C[C@@H](COCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12)c1ccccc1,2.32
CHEMBL2314504,Cn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2ccccc21,2.99
CHEMBL1223955,NC(=O)c1cccc([S+]([O-])[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.1
CHEMBL1412343,Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1,2.7
CHEMBL1779005,COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1,2.06
CHEMBL62,CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1,2.5
CHEMBL2086679,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3F)cn2)CC1,3.6
CHEMBL1916532,COc1ccc2ncc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1,1.46
CHEMBL1868114,COCCNc1nc(NCc2ccccc2F)c2sccc2n1,3.4
CHEMBL13486,O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12,1.88
CHEMBL1945037,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCCc4ccccc4)c3)c2s1,1.11
CHEMBL1313164,Cc1nc(CSc2ccc(Cl)cc2)cc(N2CCOCC2)n1,3.38
CHEMBL2086659,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2)cn1,3.5
CHEMBL337962,CNC(=O)c1cccc(NC(=O)Nc2cccc(C#N)c2)c1CN1CCC(Cc2ccc(F)cc2)CC1,3.97
CHEMBL484304,COc1ccccc1CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0.87
CHEMBL1089,NNCCc1ccccc1,-0.01
CHEMBL477786,Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3)n2)n1C(C)C,1.69
CHEMBL2088098,Cc1cc(CNc2nccc(Nc3cc(C)[nH]n3)n2)on1,1.86
CHEMBL299672,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCC1,3.13
CHEMBL35,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,-0.9
CHEMBL1916273,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC(C)C)c(C)nn2-c2ccccc2)cc1,0.46
CHEMBL1945297,CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12,2.41
CHEMBL1197102,NC1CCc2cc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)cc2C1,2.6
CHEMBL340978,CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1,1.3
CHEMBL368473,Cn1c(=O)c2nc(-c3cccnc3)[nH]c2n(C)c1=O,0.7
CHEMBL73048,C[C@@](O)(C(=O)Nc1ccc(S(C)(=O)=O)cc1Cl)C(F)(F)F,2.08
CHEMBL295467,CNCCC(Oc1ccccc1OC)c1ccccc1,0.22
CHEMBL1618762,c1ccc(CCNCc2ccccc2)cc1,1.65
CHEMBL1426965,FC(F)(F)c1nnc2ccc(N3CCCCCC3)nn12,3.29
CHEMBL1650728,COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)n[nH]1,2.6
CHEMBL533,CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,1.2
CHEMBL1778622,CCSc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1,1.54
CHEMBL1778634,CN(c1ccc(-c2cc(F)ccc2OCC(=O)O)c(Cl)c1)S(C)(=O)=O,-1.17
CHEMBL207235,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1C[C@H](OC)C[C@@H]1C(N)=O,3.09
CHEMBL2111158,CC(C)NCC(O)COc1nccs1,-0.97
CHEMBL1682832,COC(=O)N1CCOc2cc(COc3ccccc3)cnc21,2.5
CHEMBL2023489,COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1,3.5
CHEMBL211265,Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1,2.46
CHEMBL1715438,CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1,1.1
CHEMBL2035040,NC(=O)c1cnc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)c1,1.3
CHEMBL212521,CC[C@H](N)C(=O)N[C@H](C#N)Cc1ccc(-c2ccccc2)cc1,2.6
CHEMBL2207664,Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl,3.14
CHEMBL509406,Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C,2.41
CHEMBL106,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0.48
CHEMBL235753,Cn1c(N)nc(CCc2cccc(-c3cccnc3)c2)cc1=O,2.5
CHEMBL494505,CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,1.22
CHEMBL450470,COc1ccc(N(C(C)=O)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1,2.81
CHEMBL2172782,CC(C)Cc1ccc(C(C)C(=O)NS(C)(=O)=O)cc1,0.78
CHEMBL654,CN1CCN2c3ncccc3Cc3ccccc3C2C1,2.82
CHEMBL2088115,C#CCn1c(=O)c2c(-c3nc(C#N)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.4
CHEMBL2086652,CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)nn2)CC1,2.8
CHEMBL473417,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1,2.84
CHEMBL1951898,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1,2.86
CHEMBL2332936,CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2,2.1
CHEMBL1087398,C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ccc(F)cn1,3.45
CHEMBL2087856,C#CCn1c(=O)c2c(-c3cc(C#N)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.96
CHEMBL1289466,O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2Cl)CC1,2.63
CHEMBL1914480,COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1,0.83
CHEMBL1951899,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1,1.8
CHEMBL153064,CC(=O)c1cc2ccc(O)cc2oc1=O,0.87
CHEMBL11348,CCn1c(=O)c2nc(-c3ccccc3)[nH]c2n(CC)c1=O,3.3
CHEMBL2035031,NC1(c2ccc(-c3ncc4cccnc4c3-c3ccccc3)cc2)CCC1,1.7
CHEMBL1807826,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(C(F)(F)F)c3)c2s1,1.21
CHEMBL1752,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,-1.25
CHEMBL61236,Nc1ccc2ccccc2n1,1.7
CHEMBL1829409,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(OC)cc1,1.39
CHEMBL2153184,CCCSc1nc(NC[C@H]2CC[C@H](C(=O)O)CC2)ccc1C(=O)NC1CCCCC1,2.61
CHEMBL452021,CN(C)CCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,1.16
CHEMBL510101,COc1ccc(CNCc2ccc(-c3cc(C(N)=O)c(NC(N)=O)s3)cc2)cc1,2.55
CHEMBL576068,Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)cnc2C)n[nH]1,1.73
CHEMBL1567984,O=C(O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,0.3
CHEMBL2089276,Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1,1.3
CHEMBL2177159,COCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1,2.26
CHEMBL128,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,-0.96
CHEMBL2179287,Cc1cn(C2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)c(=O)[nH]c1=O,3.04
CHEMBL251290,COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5ccccc45)C3)nc2c1,2.53
CHEMBL1649771,Nc1ncc(-c2ccc(F)cc2)[nH]1,1.39
CHEMBL2158051,CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,1.82
CHEMBL2107366,Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C,2.9
CHEMBL1934267,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)C)cc1,0.97
CHEMBL191553,CC(=O)Nc1ccc(CNc2[nH]nc3ccnc(Oc4ccccc4)c23)cc1,3.03
CHEMBL2036779,CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,2.1
CHEMBL1565348,CCCc1c(C(=O)Nc2cc(C)on2)cnn1-c1ccccc1,3.7
CHEMBL455468,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)n2)n1C(C)C,1.87
CHEMBL2035037,Cn1cnc2c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)ccc21,2.5
CHEMBL2088096,COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)n[nH]2)cc(OC)c1,3.1
CHEMBL596271,Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21,3.54
CHEMBL447983,C[C@](N)(Cc1ccccc1)c1ccccc1,1.7
CHEMBL438,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,-0.51
CHEMBL1950849,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2cccc(F)c2)C1)C1CCCCC1,2.64
CHEMBL479,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,3.76
CHEMBL2036567,O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc(Nc2ccccc2F)o1,3.05
CHEMBL2152076,Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2cccc(Cl)c2)n1,2.5
CHEMBL93404,COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cl,2.7
CHEMBL515854,COCCS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1,2.56
CHEMBL495727,O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1,2.3
CHEMBL66761,O=c1[nH]nc(Cc2ccccc2)c2ccccc12,2.8
CHEMBL578235,Cc1cc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(-c2ccccn2)nc1C,2.34
CHEMBL66089,Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12,3.2
CHEMBL480200,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1C(=O)Nc1cccnc1,3.01
CHEMBL1278,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,0.48
CHEMBL2152252,CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3F)c2)cnc1N,2.8
CHEMBL2030402,O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Cl)cc12,2.01
CHEMBL85752,CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc21,4.36
CHEMBL2059376,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)NC)c3)cnc2[nH]1,2.21
CHEMBL1068,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,1.28
CHEMBL2164682,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1,2.66
CHEMBL36,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,2.31
CHEMBL481312,CC(=O)N(C)c1ccccc1,1.1
CHEMBL2031466,Cc1ccc(C(=O)NC(C)C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,1.56
CHEMBL1934271,CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1,1.88
CHEMBL524165,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCOC2)CC1,0.8
CHEMBL1946024,CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccc(NC(=O)OC)cc2)cc1,4.01
CHEMBL1027,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,1.49
CHEMBL1224217,NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)nc1,1.25
CHEMBL272105,COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O,2.49
CHEMBL333685,O=C(Nc1ccc(O)cc1)c1ccc(O)cc1,1.5
CHEMBL167151,CCCc1c(OCCCCSCC(=O)O)ccc(C(C)=O)c1O,1.3
CHEMBL102047,CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1,1.58
CHEMBL1950727,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCCCC1,2.01
CHEMBL558752,Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,3.45
CHEMBL167176,CCCc1c(OCc2ccc(/C=C/c3nn[nH]n3)cc2)ccc(C(C)=O)c1O,3.3
CHEMBL750,N=S(=O)(O)Cc1noc2ccccc12,0.55
CHEMBL1784346,Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCC(F)(F)CC2)CC1,2.1
CHEMBL324465,CN1CCC(C#N)(c2cccc3ccccc23)CC1,2.73
CHEMBL1950850,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C1CCCCC1,2.39
CHEMBL1778633,Cc1cc(N(C)S(C)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)O,-0.59
CHEMBL1762534,COc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)n1,3.37
CHEMBL33,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,-0.35
CHEMBL393348,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(C2CCNCC2)ccc1Cl,1.58
CHEMBL1610495,CNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c(Br)[nH]1,3.1
CHEMBL256348,NS(=O)(=O)c1ccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc1,2.7
CHEMBL234950,O=C(NC1Cc2ccccc2N(CCCO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.49
CHEMBL1184584,N=C(N)Nc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1,0.7
CHEMBL1213085,Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc32)nc2cccc(C)c2c1=O,3.55
CHEMBL212731,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)CC1,2.9
CHEMBL2086688,C[C@@H]1CN(C(=O)OCC(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1,2.3
CHEMBL1857945,CN(C)CCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12,4.5
CHEMBL49722,O=C(COc1ccc(OCCNCC(O)COc2ccccc2)cc1)NCCO,0.42
CHEMBL142653,Cc1cc2[nH]c(=O)c(O)cc(=O)c2cc1C,1.99
CHEMBL1917422,Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1Cc1nnn[nH]1,3.25
CHEMBL341324,CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1,1.67
CHEMBL2164741,N#Cc1ccc2ccc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@@H](O)C3)c2c1,0.45
CHEMBL2028019,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,3.6
CHEMBL1232567,Oc1ccnc2ccccc12,0.8
CHEMBL2325719,Cc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)cc(C2(S(C)(=O)=O)CC2)n1,1.7
CHEMBL454648,Cc1ncc(-c2nc(Nc3ccc(C(=O)N(C)C)c(F)c3)ncc2F)n1C(C)C,3.14
CHEMBL2062774,CCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12,4.23
CHEMBL570015,COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1,2.69
CHEMBL2035018,NC1(c2ccc(-c3nn4cccc4cc3-c3ccccc3)cc2)CCC1,3.3
CHEMBL255130,COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC,1.42
CHEMBL385049,COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCC[C@@H]1CO,1.96
CHEMBL878,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,1.64
CHEMBL2010843,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2nc3c(s2)CCCC3)CC1,2.5
CHEMBL2325707,CN1CCC(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)(S(C)(=O)=O)CC1,1.9
CHEMBL186665,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OCCCN(C)C)n1,1.3
CHEMBL142715,c1ccc(-c2ccc(COc3ccc4c(c3)CCC(CCN3CCCCC3)C4)cc2)cc1,3.3
CHEMBL1807832,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOCCCNCCc3cccc(Cl)c3)c2s1,0.83
CHEMBL1834385,Nc1nccc(-c2ccccc2)n1,2.0
CHEMBL126048,Oc1c2ncc3ccccc3c2nn1-c1ccccc1,0.8
CHEMBL133996,C=CCc1cc(NC(C)=O)ccc1OCCCNC(C)C,-0.01
CHEMBL322122,CC(C)C(=O)NCCNCC(O)COc1ccc(O)cc1,-0.15
CHEMBL415,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,3.36
CHEMBL1800660,CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,2.51
CHEMBL369684,C[Si](C)(C)C#Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1,1.26
CHEMBL2171277,Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1,3.9
CHEMBL2059373,O=C(O)c1cncc(-c2cnc3[nH]c(C(=O)NC4CC4)cc3c2-n2ccc(C(F)(F)F)n2)c1,-0.98
CHEMBL295135,O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C1\CCN(c2ccccc2)C1=O,1.85
CHEMBL1940107,COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC,2.36
CHEMBL186174,Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nn[nH]n2)cc1,2.74
CHEMBL110855,CCN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12,2.45
CHEMBL2071098,CC1(C)COCc2sc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)nc21,2.4
CHEMBL2031237,Cc1ccc(NC(=O)c2cncs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.11
CHEMBL401874,CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21,4.3
CHEMBL1287979,COc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1,1.82
CHEMBL149434,CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1,2.1
CHEMBL2011906,CNc1c(Br)cnc2[nH]c(-c3ccc(O)cc3)nc12,2.47
CHEMBL380947,CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12,3.37
CHEMBL2177610,CCCSc1c(C(=O)NC2CCCCC2)cnn1C,2.99
CHEMBL2104196,NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,1.7
CHEMBL2030960,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2C)n1,0.34
CHEMBL186720,CN(C)CCOc1ccccc1Cc1ccccc1,2.53
CHEMBL2164740,N#Cc1ccc2ccc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1,0.46
CHEMBL2036775,CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,2.77
CHEMBL2035032,NC1(c2ccc(-c3c(-c4ccccc4)ccc4ccnn34)cc2)CCC1,2.9
CHEMBL1721722,Oc1ncnc2onc(-c3ccc(F)cc3)c12,1.97
CHEMBL403812,Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCC3)cc2F)cc1,1.69
CHEMBL2177603,CC(C)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1,1.15
CHEMBL1302214,Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0.98
CHEMBL268263,NCC(O)(c1ccccc1)c1ccccc1,0.9
CHEMBL1307677,CC(=O)c1noc(C)c1C(=O)Nc1nccs1,1.94
CHEMBL1258166,NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1,0.07
CHEMBL2030800,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(=O)O)cc2)n1,-0.42
CHEMBL436511,CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1,3.21
CHEMBL479445,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN(C)C,1.91
CHEMBL1950728,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1)C1CCCCC1,2.6
CHEMBL14121,COc1ccc(Cn2c(=O)[nH]c3c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c4ccccc4)cc3c2=O)cc1,2.93
CHEMBL2335906,C[C@@H](NC1=CC(=O)CNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.49
CHEMBL1951912,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1,1.44
CHEMBL480818,CC[C@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.89
CHEMBL1468264,COc1cc(OC)c2nc(C)c3c(c2c1)N(c1ccc(O)cc1)CC3,1.5
CHEMBL514201,C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1,3.6
CHEMBL1550191,O=C1NC(c2ccc(Br)cc2)Nc2ccccc21,2.68
CHEMBL2036752,CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.86
CHEMBL17157,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,3.99
CHEMBL277863,COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,2.05
CHEMBL2059378,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(-c4n[nH]c(=O)o4)c3)cnc2[nH]1,1.65
CHEMBL214350,Cc1ccc2c(c1)c(-c1ccnc3c(C(F)(F)F)cccc13)c(C)n2CC(=O)O,1.27
CHEMBL92401,CC(C)NNC(=O)c1ccncc1,0.33
CHEMBL324343,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccccc2C(=O)O)c1=O)C(=O)C(F)(F)F,1.14
CHEMBL47875,Oc1ccc(-c2nc3ccccc3s2)cc1,4.1
CHEMBL1592130,c1ccc(-c2nnc(-c3ccccc3)s2)cc1,4.2
CHEMBL184243,COc1cccc(C(=O)NCCCOc2cccc3ccc(N)nc23)c1,2.46
CHEMBL598191,N=C(N)c1cc2c(OCc3ccccc3)cccc2s1,1.16
CHEMBL381434,CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,1.6
CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,2.69
CHEMBL2010845,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F,3.3
CHEMBL100913,Oc1ccc(-c2ccc(C3(O)CN4CCC3CC4)cc2)cc1,0.95
CHEMBL1599290,Nc1nc2ccccc2n1C(=O)c1ccccc1,1.56
CHEMBL112924,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cc[n+]([O-])cc2)c1=O)C(=O)C(F)(F)F,1.13
CHEMBL1870384,COc1ccc(C=NN=Cc2ccc(OC)c(OC)c2)cc1OC,3.38
CHEMBL99689,CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1,1.2
CHEMBL1084762,O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1,2.53
CHEMBL452273,COCCNCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,0.87
CHEMBL2208435,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cnnc2ccccc12,3.28
CHEMBL109405,C1=C(c2cc3ccccc3o2)C2CCN1CC2,2.59
CHEMBL437501,CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NCC#N,3.24
CHEMBL2179667,Cc1cccc(Oc2cc(CN3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2C(=O)O)c1,-0.82
CHEMBL1739708,COc1ccc(-c2nc(N)s[n+]2-c2ccccc2)cc1,2.19
CHEMBL1829257,CCC(c1nc2ccsc2c(=O)n1Cc1cscn1)N(CCCN)C(=O)c1ccc(C)cc1,0.02
CHEMBL256117,Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCCC3)s2)cc1,2.82
CHEMBL1875368,O=C(Cc1cccc2ccccc12)Nc1ccccc1,3.9
CHEMBL1209736,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccc(Br)cc1,3.21
CHEMBL1682962,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Cl)ccc12)c1ccccc1,3.07
CHEMBL271012,C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2[nH]c(=O)sc12,3.0
CHEMBL71917,CC(C)OC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(CN(C)Cc3ccccc3)c2c1=O,3.5
CHEMBL2012863,Nc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12,2.48
CHEMBL218573,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)CO3)c(Cc3ccccc3C(F)(F)F)sc21,3.15
CHEMBL1347379,Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1,3.79
CHEMBL514690,Cc1ncc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)n1C(C)C,2.88
CHEMBL1480987,CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,2.31
CHEMBL546,C=CCOc1ccccc1OCC(O)CNC(C)C,0.2
CHEMBL205092,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3c[nH]c4ncccc34)sc21,1.71
CHEMBL2163590,CCOc1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)C3,3.1
CHEMBL2087850,CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,2.87
CHEMBL226781,O=c1[nH]n(CC#Cc2ccccc2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,1.78
CHEMBL362962,O=C1O[C@]2(CN3CCC2CC3)CN1c1cccs1,0.9
CHEMBL2057372,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCOCC4)nn3c2)c1,0.96
CHEMBL2158840,O=C(O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.68
CHEMBL108249,O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1ccc(F)cc1,1.57
CHEMBL179701,C=CCCCCCCCCC(=O)N[C@H]1CCC(=O)NC1=O,2.64
CHEMBL1783281,CCCNC(=O)c1nnc2c(-c3cc(C)ccc3OC)cccc2c1N,3.99
CHEMBL1689130,C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1cccc(Cl)c1,0.78
CHEMBL226959,COC(=O)c1ccc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1,1.17
CHEMBL1739063,O=C(N[C@@H](c1ccccc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl,2.61
CHEMBL429682,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12,0.92
CHEMBL2333993,COc1cc2ncnc(Nc3ccncc3)c2cc1OC,2.22
CHEMBL190458,Cc1c(CCC(=O)O)c(=O)oc2c(C)c(O)ccc12,-0.3
CHEMBL471578,N#Cc1nc(Nc2ccccc2)c(N)c(N2CCOCC2)n1,2.72
CHEMBL173706,CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1,-0.35
CHEMBL1916287,Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2cccnc2)c1C(=O)N[C@@H](C)C(C)(C)C,0.4
CHEMBL514384,COCCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1,2.75
CHEMBL177611,O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1,0.6
CHEMBL896,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,3.08
CHEMBL2179274,CCC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,0.5
CHEMBL472,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,2.23
CHEMBL1868126,COc1cccc2sc(NC(=O)c3ccccc3)nc12,3.96
CHEMBL477772,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,3.3
CHEMBL1464754,O=C(NC1CCCCC1)N1CCN(c2ccccc2Cl)CC1,3.78
CHEMBL1362558,Cn1sc(NC(=O)c2cccc(Cl)c2)nc1=O,0.87
CHEMBL2335866,COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4OC)ccc3n2)cc1,3.14
CHEMBL2164377,O=C(NCc1ccc(OC(F)(F)F)cc1)C1c2ccccc2C(=O)N1CC1CC(F)(F)C1,3.9
CHEMBL1689115,O=C(O)COc1ccc(Cl)cc1CN1CCCN(S(=O)(=O)Cc2ccccc2)CC1,1.01
CHEMBL2325995,NC1(C(=O)NC(CCCN2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.7
CHEMBL1084546,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,2.63
CHEMBL16073,CCOc1ccc(NC(C)=O)cc1,1.5
CHEMBL75435,C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1,-0.06
CHEMBL1778652,CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)O)c(C)c1,0.76
CHEMBL549,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,1.56
CHEMBL2036773,CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,2.68
CHEMBL139347,Nc1nc(N)nc(-c2cccc(C(F)(F)F)c2)n1,2.4
CHEMBL2179668,Cc1cn([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(F)c4)c3)C2)c(=O)[nH]c1=O,-1.03
CHEMBL1525826,COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,-0.65
CHEMBL2087858,Cn1cc(C#N)cc1-c1c2c(=O)n(CC#N)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.33
CHEMBL279200,c1ccc2c(OCC3=NCCN3)cccc2c1,0.68
CHEMBL2362258,O=[N+]([O-])c1ccc(C=NO)o1,1.31
CHEMBL365472,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(OC(C)C)cc1,3.1
CHEMBL524266,Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.51
CHEMBL383669,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCCC3)c(Cc3ccccc3C(F)(F)F)sc21,3.8
CHEMBL443684,CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1,0.64
CHEMBL416,COc1c2occc2cc2ccc(=O)oc12,1.97
CHEMBL1907830,O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O,2.4
CHEMBL355236,CCCc1c(OCc2ccc(-c3nn[nH]n3)cc2OC)ccc(C(C)=O)c1O,2.8
CHEMBL1332736,O=C(Oc1ccccc1)N1CCOCC1,1.3
CHEMBL1683032,CCOc1cc2nnc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1,3.02
CHEMBL2336318,COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(-n4ccnc4)nc3n2)cc1CO,2.6
CHEMBL201799,CCCCCSc1nc(O)c2sc(N)nc2n1,2.86
CHEMBL1778621,CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1,-0.87
CHEMBL72548,CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,2.7
CHEMBL1762536,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCC3)cc(N3CCOCC3)c2)n1,3.8
CHEMBL487066,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NC4CC4)cc3)n2)n1C(C)C,3.06
CHEMBL191974,Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1,4.0
CHEMBL550,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,-0.37
CHEMBL1922094,Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,1.9
CHEMBL832,O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,-0.51
CHEMBL402208,Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1,1.18
CHEMBL1779001,COc1ccc(-c2cncc(CNC3CCCC3)n2)c(OC)c1,2.14
CHEMBL2208437,CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,1.21
CHEMBL2036568,O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nnc(Nc2ccccc2F)o1,3.6
CHEMBL2035038,NC1(c2ccc(-c3nc4ccccc4c(=O)n3-c3ccccc3)cc2)CCC1,1.5
CHEMBL519779,COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC,3.4
CHEMBL269538,COc1ccc2c(c1)[nH]c1c(C)nccc12,2.9
CHEMBL452274,CN(CCO)Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,0.97
CHEMBL1288960,Cc1nnc(N)s1,-0.4
CHEMBL1294,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,2.21
CHEMBL2031225,COc1cccc(C(=O)Nc2ccc(C)c(-n3cnc4ccc(N5CCN(C)CC5)cc4c3=O)c2)c1,3.08
CHEMBL304087,COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1,3.6
CHEMBL87563,CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,2.41
CHEMBL12952,COc1ccc2cc(C(C)C(=O)O)ccc2c1,0.23
CHEMBL402728,Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(=O)[nH]c3n2)cs1,1.73
CHEMBL1807822,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3cccc4ccccc34)c2s1,2.28
CHEMBL1209509,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1cccnc1,2.1
CHEMBL1927039,N#Cc1ccc(Nc2nccc(NC3CC3)n2)cc1,3.01
CHEMBL2031221,Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.69
CHEMBL1399152,O=[N+]([O-])c1ccc2c(c1)nc1n2CCCCC1,2.58
CHEMBL253969,NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1,2.5
CHEMBL385563,Clc1ccc2c(c1Nc1ncnc3cc(OCCN4CCCC4)cc(OC4CCOCC4)c13)OCO2,2.6
CHEMBL320876,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O,0.91
CHEMBL403702,Cc1cnc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2n1,3.5
CHEMBL1824373,N#Cc1cccc(COc2cc(OCCCN3CCCC3)ccc2C(=O)Nc2cccc(O)c2)c1,2.41
CHEMBL1944652,CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccc3cccnc23)cc1,3.86
CHEMBL1778866,COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1,2.23
CHEMBL2207660,Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]nc3C(F)(F)F)CC2)c1Cl,3.66
CHEMBL515515,CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1,1.4
CHEMBL2036774,O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1,3.32
CHEMBL1778870,CCNCc1cncc(-c2ccc(F)cc2OC)n1,1.18
CHEMBL1934417,COCCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1,0.78
CHEMBL207100,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3cncc4ccccc34)sc21,1.74
CHEMBL1088751,CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,2.8
CHEMBL1459983,COc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1,3.7
CHEMBL427851,Cc1oc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2,1.03
CHEMBL2137932,CC(O)(C(=O)c1ccccc1)c1ccccc1,2.92
CHEMBL110999,CN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12,2.44
CHEMBL233034,O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NO,2.4
CHEMBL2017291,COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12,3.15
CHEMBL2158470,CCCSc1nc(N2CCOCC2)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2,3.2
CHEMBL1916260,CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1,0.69
CHEMBL1224288,Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,2.3
CHEMBL264961,CNC(=O)c1ccc(CN2CCC(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1,1.99
CHEMBL1257698,NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1,2.0
CHEMBL2036587,O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccccc2)o1,2.9
CHEMBL561652,C[C@@H](CO)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1,2.63
CHEMBL73189,Cc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1,2.7
CHEMBL426658,Clc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1,4.3
CHEMBL114500,COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1,1.73
CHEMBL1224138,NC(=O)c1cncc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1,1.1
CHEMBL304354,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccccc2)c1=O)C(=O)C(F)(F)F,2.26
CHEMBL131842,O=c1[nH][nH]c(=O)c2c(O)c3c(Cl)cc(Cl)cc3nc12,0.89
CHEMBL2177906,NC1=NC(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)c2cccc(F)c21,3.4
CHEMBL2035021,NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1,2.8
CHEMBL1269858,CN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12,3.23
CHEMBL2062565,CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1,2.69
CHEMBL1940279,O=C(NCc1ccnc2ccccc12)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,3.88
CHEMBL87277,Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1,3.97
CHEMBL1465276,O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCc2ccccc2C1,3.7
CHEMBL1513816,CCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,3.14
CHEMBL1345333,c1ccc(Nc2[nH]nnc2-c2ccccc2)cc1,3.37
CHEMBL1493,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,3.42
CHEMBL21342,c1ccc(C2Cc3ccccc3CN2)cc1,1.9
CHEMBL2153188,CCCSc1nc(N2CCCC(C(=O)O)C2)ccc1C(=O)NC1CCCCC1,1.72
CHEMBL1184124,CC(C)CC(c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O,1.83
CHEMBL1078178,N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,2.37
CHEMBL1917461,Cc1ccc2c(n1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,0.35
CHEMBL380979,O=[N+]([O-])c1ccc2[nH]c(-c3ccccn3)nc2c1,2.8
CHEMBL2349321,CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12,4.2
CHEMBL1082812,N#Cc1c(-c2ccccc2)nc(SCCc2ccccc2)[nH]c1=O,1.71
CHEMBL1090089,Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,1.5
CHEMBL2036581,COc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1,3.2
CHEMBL1485846,Oc1nc(-c2ccccc2)c(-c2ccccc2)o1,3.42
CHEMBL1669157,O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1O,2.4
CHEMBL207687,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O,3.42
CHEMBL1917426,Cc1c(Sc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O,1.84
CHEMBL215275,CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC,2.12
CHEMBL2086668,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCC2CCN(S(C)(=O)=O)CC2)cn1,3.5
CHEMBL1299863,CCc1c(C)nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1O,3.78
CHEMBL1980161,Nc1n[nH]c2c(Cl)cccc12,1.7
CHEMBL2335886,COCCOc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.1
CHEMBL382565,NC(=O)c1cc(-c2ccccc2)sc1N,2.7
CHEMBL462385,Cc1ncc(-c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F)n1C(C)C,2.26
CHEMBL267936,CNC1(C)C2CCC(C2)C1(C)C,-0.84
CHEMBL20,CC(=O)Nc1nnc(S(N)(=O)=O)s1,-0.78
CHEMBL242341,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,3.05
CHEMBL49739,NC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,0.63
CHEMBL1777822,Cc1ccc(C#N)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)O,0.15
CHEMBL1481,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,1.73
CHEMBL2017974,Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1,2.7
CHEMBL1076211,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,1.65
CHEMBL1938681,O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCNCC2)cc1,3.0
CHEMBL101311,CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,2.9
CHEMBL2165060,COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@@H](OC)C3)c2c1,1.25
CHEMBL287961,Nc1n[nH]c(N)c1Cc1ccc2c(c1)OCO2,0.47
CHEMBL451,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,2.41
CHEMBL487274,Cc1cc2n[nH]c(=O)n2c2ccccc12,2.35
CHEMBL2036590,O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccc(F)c(F)c2)o1,2.9
CHEMBL1180288,O=c1[nH]n(C(c2ccncc2)C2CC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12,0.7
CHEMBL1895117,Cc1cnc(NS(=O)(=O)c2ccccc2)c(C)n1,-0.03
CHEMBL1164033,CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Cl,2.99
CHEMBL2331738,Cc1cn([C@H]2CCCN(S(=O)(=O)c3cccc(Oc4ccccc4)c3)C2)c(=O)[nH]c1=O,2.32
CHEMBL1162395,COc1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1,2.2
CHEMBL335759,C1CCc2c(c3c(N4CCCC4)nc(N4CCCC4)nc3n2CCN2CCOCC2)C1,3.6
CHEMBL216749,COc1cc2c(NC(=O)Nc3c(Cl)cccc3Cl)ncnc2cc1OCC1CCN(C)CC1,2.7
CHEMBL379082,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1,2.37
CHEMBL249697,Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1,0.88
CHEMBL289832,O=[N+]([O-])c1c(Cl)c(Cl)cc2nc(O)c(O)nc12,0.21
CHEMBL1086377,CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1,3.05
CHEMBL2158793,Cc1cc(F)ccc1OC1CCN(CC2CCN([C@@](C)(Cc3ccc(F)cc3)C(=O)O)CC2)CC1,2.0
CHEMBL2314383,CC(C)c1ccc(Sc2cnc(O)c(C(=O)NCc3ccccc3)c2)cc1,3.7
CHEMBL1650736,COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)n[nH]1,2.64
CHEMBL219098,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Oc3cccc4ccccc34)sc21,2.87
CHEMBL14690,N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1,1.13
CHEMBL1835913,CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cn1,2.63
CHEMBL467028,O=c1oc2ccc(O)cc2cc1-c1ccccc1,3.12
CHEMBL1604571,CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O,-0.2
CHEMBL213029,COc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12,1.68
CHEMBL1975242,O=C(Nc1nc2c(=O)[nH]cnc2s1)c1ccccc1,1.94
CHEMBL2171035,O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.59
CHEMBL1081627,N#Cc1ccc(-c2csc(Nc3ccc(O)cc3)n2)cc1,4.1
CHEMBL2207663,Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1,2.37
CHEMBL2349329,CC(C)C[C@H](CO)Nc1nc(SCc2cccc(C#N)c2)nc2nc(N)sc12,3.9
CHEMBL146095,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,3.5
CHEMBL2207600,COc1cc(OC)c(S(=O)(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)cc1NC(=O)CCC(=O)O,0.06
CHEMBL51478,COc1ccnc(CSc2nc3ccccc3[nH]2)c1,2.89
CHEMBL1957266,Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2,3.82
CHEMBL1951075,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)NCC(=O)O,-1.02
CHEMBL2158835,O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.5
CHEMBL457016,COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1,2.8
CHEMBL1441229,Cc1cc(C)n(-c2cccc(Cl)c2C#N)n1,3.0
CHEMBL2035017,NC1(c2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CCC1,3.6
CHEMBL1574150,O=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)[nH]1,4.36
CHEMBL1923433,Cc1[nH]c(C(=O)NC2CCN(c3ncc(C(=O)O)s3)CC2)c(Cl)c1Cl,0.02
CHEMBL1682808,Cn1cnc2cc(OC(=O)c3ccccc3)cnc21,2.4
CHEMBL93173,COc1cc2ncnc(NCc3cccc(C)c3)c2cc1OC,3.5
CHEMBL1148,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,0.3
CHEMBL235619,CCCCCc1cc(=O)[nH]c(N)n1,1.62
CHEMBL1373,NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1,1.12
CHEMBL1809222,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(Cl)ccn23)n1,4.2
CHEMBL1764,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,2.99
CHEMBL2107729,O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1,3.02
CHEMBL2178950,Cc1ncc(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](C(=O)O)CC2)cc1,0.22
CHEMBL517544,COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2cc1OC,3.5
CHEMBL73303,NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,2.7
CHEMBL1800657,CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,2.23
CHEMBL92172,O=C(Nc1nccs1)c1cccnc1,2.25
CHEMBL375166,Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C,1.07
CHEMBL2177110,CCCSc1c(C(=O)NC2CCCCC2)cnn1-c1cccc(C(=O)O)c1,0.7
CHEMBL611,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,0.9
CHEMBL387675,CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C,-0.94
CHEMBL2179291,COc1ccc(Oc2cccc(CN3CCCC(n4cc(C)c(=O)[nH]c4=O)C3)c2)cc1,3.17
CHEMBL2335888,CC(=O)N(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.88
CHEMBL1800659,CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,3.0
CHEMBL31815,C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1,3.7
CHEMBL2107486,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12,2.1
CHEMBL8,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,-0.96
CHEMBL400883,COc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)cc(C)c2c1,2.41
CHEMBL511115,COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1,0.76
CHEMBL2171042,Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.84
CHEMBL130590,Cc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2,4.28
CHEMBL1689126,C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccccc1,0.18
CHEMBL1604278,Cc1cc(N)n(-c2ccccc2)n1,1.25
CHEMBL1682822,O=C1CCOc2nc(C#CC3CCCC3)ccc21,3.0
CHEMBL1398535,N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F,1.7
CHEMBL180656,CN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.7
CHEMBL1173655,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,3.7
CHEMBL456381,Oc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1,3.7
CHEMBL560739,COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC,3.56
CHEMBL1499,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1.4
CHEMBL1682961,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(F)ccc12)c1ccccc1,3.62
CHEMBL22183,Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1,2.6
CHEMBL643,CC(CN1c2ccccc2Sc2ccccc21)N(C)C,2.67
CHEMBL275043,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F,2.41
CHEMBL27759,Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,1.26
CHEMBL497854,Cc1cc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)on1,3.43
CHEMBL1257457,NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1,1.92
CHEMBL2012881,O=c1[nH]nc2cc(CO)c3ccc(-c4ccc[nH]4)cc3n12,2.19
CHEMBL2178946,Cc1nc(C)c(-c2ccc([C@H]3CC[C@@H](CC(=O)O)CC3)c(Cl)c2)nc1C(N)=O,1.7
CHEMBL32066,CNC(=O)c1cccc(S(=O)(=O)Nc2ncc(C)nc2OC)c1-c1ccc(CC(C)C)cc1,1.68
CHEMBL1466,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,1.22
CHEMBL214848,CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC,1.94
CHEMBL2177606,O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C2CCCC2)cc1,1.72
CHEMBL723,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,3.27
CHEMBL1951181,COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCC(CO)CC2)cc1NC(C)=O,1.03
CHEMBL75200,O=c1ccnc2ccccn12,0.2
CHEMBL1835908,CCOC(=O)c1ccc(CCN2CCN(c3ccc(C)nn3)CC2)cc1,2.58
CHEMBL559696,O=c1[nH]cnc2scc(-c3cccs3)c12,2.18
CHEMBL1289575,CC1(c2ccc(Cl)cc2)CCN(C(=O)COCc2ccncc2)CC1,2.79
CHEMBL1779045,Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1,2.24
CHEMBL480370,CCNC1=Nc2ccccc2C(c2ccccc2)=NC1c1cccs1,3.98
CHEMBL7568,CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,2.17
CHEMBL1236772,CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1,2.91
CHEMBL181502,CN(C(=O)C1CCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.2
CHEMBL1762521,CN(c1ccccc1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,3.47
CHEMBL550902,O=C(O)c1cncc(-c2ccc(Cl)c(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)c1,0.85
CHEMBL2011924,CNc1c(Cl)cnc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc12,2.63
CHEMBL1269076,CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O,3.36
CHEMBL2010848,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)C[C@@H]1F,2.1
CHEMBL1511829,Nc1ncnc2oc(-c3ccoc3)c(-c3ccco3)c12,3.1
CHEMBL6966,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,2.61
CHEMBL593300,Cn1c(CN2CCN(c3ccccc3)CC2)nc2ccccc21,3.11
CHEMBL53966,O=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,3.21
CHEMBL441550,CC(C)n1c(=O)n(C)c(=O)c2c(C(=O)N3CCS(=O)(=O)C3)c(Cc3ccccc3C(F)(F)F)sc21,2.55
CHEMBL1688458,O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1,2.47
CHEMBL339851,O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1,3.07
CHEMBL568011,COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC,3.83
CHEMBL2147475,COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](OP(=O)(O)O)C1CC1,-0.04
CHEMBL51257,CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,2.81
CHEMBL47361,Oc1ccc2nc(-c3ccccc3)sc2c1,3.99
CHEMBL1824041,N#Cc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.23
CHEMBL1957840,O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12,3.3
CHEMBL2335905,C[C@@H](NC1=CC(=O)NCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.02
CHEMBL1194759,CCCC1CCCCC(N)=N1,1.1
CHEMBL181326,O=C(NCC(=O)N(CCO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1,3.37
CHEMBL169901,N=C(N)N1CCc2ccccc2C1,-1.01
CHEMBL51776,COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc1-2,2.67
CHEMBL1916264,CCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1,0.65
CHEMBL1783275,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC(C)C)nnc23)c1,3.77
CHEMBL193610,Cc1ccc(-c2c[nH]nn2)cc1,2.58
CHEMBL339898,CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(F)(F)F)c2)cc1,1.9
CHEMBL1682793,O=c1ccnc2cc(C#Cc3ccccc3)ccn12,2.9
CHEMBL1223526,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12,3.29
CHEMBL521851,CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,3.3
CHEMBL347645,NC(=O)Cc1ccccc1,0.3
CHEMBL2325729,NC1(C(=O)N[C@@H](CCN2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.4
CHEMBL371064,CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,1.33
CHEMBL389911,COC(=O)c1cccc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1,1.1
CHEMBL1824042,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(Cl)cc54)CC3)nc2N1,1.33
CHEMBL1682833,CS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc21,2.4
CHEMBL508129,CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1,2.69
CHEMBL87388,COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1,3.52
CHEMBL1809192,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1,3.0
CHEMBL383696,CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCCC3)c(Cc3ccccc3C(F)(F)F)sc21,4.21
CHEMBL274642,NC1=NN(c2cccc(C(F)(F)F)c2)CC1,2.55
CHEMBL2071095,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ncccc4s3)CC2)CC1,1.4
CHEMBL2062566,CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CC2,3.3
CHEMBL1556667,CSc1ncccc1C(=O)NCc1ccc(C)cc1,2.71
CHEMBL273449,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)OCC(F)(F)F)c1=O)C(=O)C(F)(F)F,2.37
CHEMBL119489,CN(C)c1cccc2c(S(N)(=O)=O)cccc12,1.95
CHEMBL1078983,COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO,3.25
CHEMBL1478435,CC1(C)CC(=O)c2c(nc3ccccc3c2N)C1,3.0
CHEMBL563784,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ncc1Cl,2.09
CHEMBL2164747,COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](O)C3)c2c1,0.37
CHEMBL2171036,COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,1.39
CHEMBL1682829,CN1CCOc2cc(OC(=O)c3ccccc3)cnc21,3.3
CHEMBL9967,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,-0.49
CHEMBL726,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,3.8
CHEMBL1779008,COc1cc(F)ccc1-c1cncc(CNC(C)C)c1,1.5
CHEMBL1606366,Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc2nonc2c1,3.35
CHEMBL1917445,Cc1ccc2c(c1)c([S+]([O-])c1ccc(Cl)cc1)c(C)n2CC(=O)O,0.05
CHEMBL226906,Cc1ccsc1Cn1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,1.15
CHEMBL1427554,Cc1ccc(-c2csc3ncnc(O)c23)cc1,2.59
CHEMBL2098183,COc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1,3.2
CHEMBL53841,CCCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12,0.98
CHEMBL2011912,CNc1c(Br)cnc2[nH]c(-c3ccnc(N)c3)nc12,2.83
CHEMBL2312487,CCOC(=O)c1coc2ccccc2c1=O,1.81
CHEMBL66953,O=c1c(O)cccc2cc(O)c(O)c(O)c12,2.03
CHEMBL1957038,Oc1ccc(C2=Cc3ccc(O)cc3OC2)cc1,3.8
CHEMBL181610,Nc1nc(N)c(C(=O)Nc2ccccn2)nc1Cl,2.67
CHEMBL56261,CC(C)CCCC(C)/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12,1.58
CHEMBL440335,[O-]c1c2c(nn1-c1ccc(Cl)cc1)c1ccccc1c[n+]2Cc1ccccc1,4.5
CHEMBL457888,Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN4CCOCC4)cc3)n2)n1C(C)C,2.43
CHEMBL2336320,COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(N)=O,2.82
CHEMBL434063,CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,2.15
CHEMBL59956,NC(=O)c1ccccc1OCc1ccccc1,2.5
CHEMBL1539037,COc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1,1.4
CHEMBL2059379,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cnc(OC)c(-c4n[nH]c(=O)o4)c3)cnc2[nH]1,2.32
CHEMBL122695,CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cnccn4)CC3)c(F)c2)C(=O)O1,1.49
CHEMBL1437065,NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0.81
CHEMBL2208432,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)n1c(=O)[nH]c2ccccc21,4.46
CHEMBL301018,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,3.67
CHEMBL191802,CSc1ccc(OCc2ccccc2)c(/C=C/c2ccc(C(=O)O)cn2)c1,2.45
CHEMBL1934269,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2CC(F)(F)F)cc1,0.93
CHEMBL1209429,O=S(=O)(Cc1ccccc1)NCC(c1ccccc1)N1CCCCCC1,2.83
CHEMBL216053,COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN(CCO)CC(C)C,3.61
CHEMBL1175,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,2.09
CHEMBL1541257,c1cc2c(cc1-c1cnc3n1CCC3)OCCO2,2.33
CHEMBL2163581,CS(=O)(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)CC3,1.5
CHEMBL2069623,Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1,3.17
CHEMBL2087854,C#CC(C)n1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.59
CHEMBL184817,O=C(O)CCn1c2ccccc2c2ccccc21,0.6
CHEMBL2087851,Cn1cncc1-c1c2c(=O)n(C3CC3)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.53
CHEMBL2321999,Clc1ccc([C@H]2CC=CCNC2)cc1Cl,1.95
CHEMBL2206790,COCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1,3.6
CHEMBL341226,COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C,4.21
CHEMBL934,CC(C)(C(=O)c1cccnc1)c1cccnc1,1.45
CHEMBL100391,CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1,2.25
CHEMBL86795,c1ccc2[nH]ncc2c1,1.9
CHEMBL2062583,CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCCO,2.48
CHEMBL567,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,3.6
CHEMBL1628691,Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl,3.62
CHEMBL1945299,COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,0.91
CHEMBL2087865,Cn1cc(C#N)cc1-c1c2c(=O)n(CCO)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.0
CHEMBL2179280,CCC(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,1.68
CHEMBL124660,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,2.6
CHEMBL1778630,O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccccc1-c1ccccc1,1.38
CHEMBL1741329,Cc1ccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc2c1,2.87
CHEMBL1319232,Cc1ccc(-n2[nH]c(=O)c3cccnc32)cc1,2.1
CHEMBL75880,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,3.02
CHEMBL553,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,3.35
CHEMBL2171040,COc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,0.89
CHEMBL427486,CC(=O)NC[C@H]1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1,0.7
CHEMBL1389370,CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3,3.3
CHEMBL179877,CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,2.4
CHEMBL1950729,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCCCC1,0.87
CHEMBL2048868,COc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1,1.27
CHEMBL366205,O=C(C(=O)c1cc(Br)ccc1O)c1cc(Br)ccc1O,3.85
CHEMBL1916271,CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1,1.46
CHEMBL280713,O=C(O)c1ccccc1Cn1nnc(-c2cccc(OCc3ccc4ccccc4n3)c2)n1,2.1
CHEMBL1650723,COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,2.53
CHEMBL2036745,O=C(O)C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cc2)CC1,2.48
CHEMBL1939418,Nc1nc(Nc2ccc(F)c(Cl)c2)c2nc[nH]c2n1,2.75
CHEMBL1502799,FC(F)c1nc2ccccc2[nH]1,2.02
CHEMBL2207282,NS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,2.17
CHEMBL1916267,CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,1.52
CHEMBL86276,Nc1nc(-c2ccccc2)nn1Cc1ccccc1,1.91
CHEMBL252956,O=C1CCCc2nc(C#Cc3ccccc3)ccc21,3.53
CHEMBL464081,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2,3.8
CHEMBL2335907,COc1cc(-c2ccncc2)cc2cnc(Nc3ccc([C@@H](C)NC(C)=O)cc3)nc12,2.73
CHEMBL1809204,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(F)ccn23)n1,3.7
CHEMBL151445,OCC(O)CN1CCN(c2ccccc2)CC1,0.4
CHEMBL249790,OCCO[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,4.17
CHEMBL254361,Nc1ccccc1NC(=O)c1ccccn1,1.0
CHEMBL1388277,CSc1ncccc1C(=O)NCCc1ccc(Cl)cc1,3.31
CHEMBL258177,CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C#N)c2)CC1,1.28
CHEMBL1081913,CC(C)(C)OC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1,3.0
CHEMBL108200,COc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1,3.1
CHEMBL1829270,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1,1.38
CHEMBL23588,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,2.01
CHEMBL1547746,CCn1c2ccccc2c2cc(NC(=O)C(C)C)ccc21,4.2
CHEMBL1950860,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C,2.85
CHEMBL2071097,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4c(s3)COCC4)CC2)CC1,1.42
CHEMBL1350196,Cc1c(CCC(=O)O)c(=O)oc2cc(O)ccc12,-0.7
CHEMBL1630742,NCCCCCc1c[nH]c2ccc(F)cc12,0.6
CHEMBL1770475,CSCCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1,4.24
CHEMBL1831130,COc1ccc2nc(C)cc(N3CC(CNC(=O)C4CC4)OC3=O)c2c1,1.55
CHEMBL1916266,CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1,0.27
CHEMBL2086667,CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2c1ncc(OCc2ccc(S(C)(=O)=O)cc2)cn1,3.4
CHEMBL474830,CC(C)CNc1nc(C#N)nc(N2CC(O)C2)c1N,2.0
CHEMBL38182,N#Cc1ccc(NC(=O)Nc2ccccc2Br)c2nn[nH]c12,1.64
CHEMBL2170837,CCn1c(C)c(C(=O)O)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCC(O)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1,4.2
CHEMBL167597,CCCc1c(OCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O,3.1
CHEMBL2158821,O=C(O)[C@@H](c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.14
CHEMBL306262,CCCCCC[C@H]1OC(=O)CNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]1C,3.2
CHEMBL300982,CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1,3.07
CHEMBL1669154,O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CC1,3.3
CHEMBL515839,Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CC4CCCO4)cc3)n2)n1C(C)C,2.82
CHEMBL2335892,COCCC(=O)NC(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.98
CHEMBL338579,COc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2,4.43
CHEMBL204825,O=C(c1cccc(Cc2nnc(O)c3ccccc23)c1)N1CCOCC1,1.0
CHEMBL2163360,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ncccc4c3C2)CC1,2.13
CHEMBL1560828,CCc1cccc2c(C#N)cn(CC(=O)NCCOC)c12,1.95
CHEMBL186422,O=c1ccc2ccccc2[nH]1,1.32
CHEMBL2011926,COc1ccc(-c2nc3c(NCC4CCNCC4)c(Br)cnc3[nH]2)cc1,1.36
CHEMBL468970,Clc1ccc2c(c1Nc1ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n1)OCO2,3.25
CHEMBL1807827,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3)c2s1,0.98
CHEMBL184189,COCCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1,2.74
CHEMBL2062575,CC(=O)Nc1ccc2ccn(-c3cc(NCCCN(C)C)n4ncc(C#N)c4n3)c2c1,1.62
CHEMBL480601,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2,3.84
CHEMBL213854,Cc1ccc2c(c1)c(-c1ccnc3c(F)cccc13)c(C)n2CC(=O)O,0.53
CHEMBL108246,Cc1ccccc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12,2.84
CHEMBL1933594,C[C@H]1O[C@@H](n2cnc3c(N)nc(OCC4CC(F)(F)C4(F)F)nc32)[C@H](O)[C@@H]1O,1.42
CHEMBL95925,CN(C)CC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)C1,2.88
CHEMBL128088,Cc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,2.22
CHEMBL492671,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCO2)CC1,0.9
CHEMBL1456596,c1ccc(CN(Cc2ccccc2)c2nn[nH]n2)cc1,1.37
CHEMBL474829,CC(C)CNc1nc(C#N)nc(NC2CCS(=O)(=O)C2)c1N,2.3
CHEMBL1198335,COc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1,3.9
CHEMBL2036569,Cc1cc(NC(=O)c2nnc(Nc3ccccc3F)o2)ccc1N1CCOCC1,4.0
CHEMBL1917427,Cc1c(F)ccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,2.23
CHEMBL235821,Nc1nc(CCc2ccccc2)cc(=O)[nH]1,1.4
CHEMBL550637,Cc1ccc(C(=O)N2CC3CNCC(C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2,2.12
CHEMBL397192,O=C(NC1Cc2ccccc2N(CC(=O)N2CCC(O)CC2)C1=O)c1cc2cc(Cl)sc2[nH]1,2.86
CHEMBL1809198,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(F)cccn23)n1,3.5
CHEMBL470915,N#Cc1nc(NC2CC3CCC2C3)c(N)c(N2CCOCC2)n1,3.53
CHEMBL11032,CC(C)C(NC(=O)Cn1c(-c2cccnc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.15
CHEMBL521262,COc1cc2c(Nc3cccc(Cl)c3Cl)c(C(N)=O)cnc2cc1NCCN(C)C,3.41
CHEMBL2031467,CCNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1,1.47
CHEMBL1312643,O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccccc1,1.34
CHEMBL1256487,NC(=O)c1cccc(OC2CCN(CC3CC3)CC2)c1,0.49
CHEMBL2010835,CC(=O)Nc1ccc(CC(=O)N(C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1,2.9
CHEMBL2331746,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4ccccc4)c3)C2)c(=O)[nH]c1=O,1.49
CHEMBL1378202,CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1,2.2
CHEMBL165372,O=[N+]([O-])c1ccc2[nH]ncc2c1,2.2
CHEMBL1689125,C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@@H](C)N1C(=O)Cc1ccccc1,0.7
CHEMBL1422545,COc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0.87
CHEMBL1946029,CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1,2.3
CHEMBL1076330,Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1,2.69
CHEMBL143181,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F,2.98
CHEMBL39058,COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cccnc12,2.09
CHEMBL587723,CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1,3.97
CHEMBL1809194,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Br)c(-c2cnc3ccccn23)n1,3.7
CHEMBL329785,Nc1nc2ccccc2s1,2.0
CHEMBL1221551,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC=CC3)c(Cc3ccccc3C(F)(F)F)sc21,3.53
CHEMBL184012,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,3.47
CHEMBL369311,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.0
CHEMBL2094354,Nc1ccc2c(c1)C(=O)C(=O)c1cc(N)ccc1-2,1.72
CHEMBL2158816,O=C(O)C(c1ccccc1)N1CCCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,2.6
CHEMBL480057,COc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC,3.4
CHEMBL1070,COc1ccc2cc(CCC(C)=O)ccc2c1,3.06
CHEMBL1364,Cc1ncc(CO)c(CO)c1O,-0.58
CHEMBL1439795,O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1,1.3
CHEMBL224769,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2c(C)nc3ccc(Br)cn23)n1,3.52
CHEMBL1429296,COc1ccccc1CN1C(=O)c2ccccc2C1C(=O)NC1CCC(C)CC1,3.74
CHEMBL2153302,CCCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1,2.81
CHEMBL481563,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2ncccc2c1,3.87
CHEMBL1809050,COc1cc(OC2CCNCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,1.8
CHEMBL2207658,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F,3.34
CHEMBL344319,Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccccc21,1.05
CHEMBL1425658,c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1,3.65
CHEMBL1809055,COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.4
CHEMBL441225,COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1,1.5
CHEMBL1507581,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0.24
CHEMBL199147,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,3.21
CHEMBL481400,CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(F)cc4F)c3c2)CC1,2.3
CHEMBL177756,O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,0.0
CHEMBL1949859,O=c1[nH]cnc2cc(F)c(F)cc12,1.5
CHEMBL21640,c1ccc(CC2NCCc3ccccc32)cc1,1.89
CHEMBL272705,C[C@H](CO)Nc1nc(SCc2ccco2)nc2[nH]c(=O)sc12,2.21
CHEMBL2,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,1.9
CHEMBL255044,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,2.22
CHEMBL172066,Cc1sc(N)nc1-c1ccccc1,2.75
CHEMBL2031559,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(F)(F)F)cc2[nH]cnc12,1.1
CHEMBL1409708,CN(C)c1ccnc2sc(C(N)=O)c(N)c12,1.7
CHEMBL2164683,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(F)cccc4c3C2)CC1,3.03
CHEMBL505521,CNC1=Nc2ncccc2C(c2ccco2)=NC1c1cccs1,1.85
CHEMBL1809223,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(N4CCCC4)ccn23)n1,3.5
CHEMBL96076,COc1ccc(CN2CCc3c([nH]c4ccccc34)C2)cc1OC,3.1
CHEMBL143305,Cc1cc(CCCOc2c(Cl)cc(C3=NCCO3)cc2Cl)on1,3.72
CHEMBL481230,COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCCN(C)CCO,3.2
CHEMBL1888044,FC(F)(F)c1nnc2ccc(N3CCCC3)nn12,2.41
CHEMBL1730736,C#CC(C)(C)NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],3.0
CHEMBL281066,CCC(CC)CNC(=O)c1ccc2c(c1)c(Cc1ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc1OC)cn2C,2.7
CHEMBL2023481,COc1cc(Oc2ccnc3ccc(F)cc23)ccc1CC(=O)Nc1noc(C)c1C,4.06
CHEMBL17357,NCCc1ccc(O)c2nc(O)sc12,0.33
CHEMBL2171021,Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1Cl,3.33
CHEMBL2031234,Cc1ccc(NC(=O)c2cccnc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,1.5
CHEMBL36643,COC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cn1,2.43
CHEMBL1916286,Cc1nn(-c2ccccc2)c(NS(=O)(=O)C2CCCCC2)c1C(=O)N[C@@H](C)C(C)(C)C,1.75
CHEMBL1625467,Nc1ccc(N=Nc2ccccc2)c(N)n1,3.22
CHEMBL460102,Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)ncc2F)n1C(C)C,2.16
CHEMBL119247,CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21,3.2
CHEMBL1223817,CN(C)C(=O)N[C@H]1CC[C@H](CN2[C@H]3CC[C@@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)CC1,-0.07
CHEMBL2164746,COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2c1,0.39
CHEMBL487622,CNC(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1,0.7
CHEMBL564885,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(NCC2CCNCC2)c1Cl,0.6
CHEMBL1824040,CC(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.37
CHEMBL188504,COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2Cl)cc1,3.59
CHEMBL1381233,O=C(Nc1ccncc1)c1cccc2ccccc12,3.1
CHEMBL250540,COc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc2c1,2.43
CHEMBL1372682,O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12,3.83
CHEMBL2030449,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NS(C)(=O)=O)cc2)n1,0.85
CHEMBL351231,C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,3.51
CHEMBL1762542,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(C(=O)N3CCOCC3)cc(N3CCOCC3)c2)n1,2.2
CHEMBL1824375,O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccnc1,1.59
CHEMBL2070948,CC(C)(C#N)c1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1,1.9
CHEMBL360227,CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F,2.4
CHEMBL1829423,CCC(c1nc2ccn(C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1,1.8
CHEMBL207028,NC(=O)c1sc(-c2ccccc2)cc1N,2.33
CHEMBL167471,CCCc1c(OCc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)ccc(C(C)=O)c1O,2.95
CHEMBL182380,CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,2.86
CHEMBL399510,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,0.54
CHEMBL415521,CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1,1.2
CHEMBL135386,CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1,3.8
CHEMBL2325622,CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)C1,1.0
CHEMBL563545,O=C1/C(=N\O)c2ccccc2N1Cc1ccccc1[N+](=O)[O-],2.07
CHEMBL31741,O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1,2.96
CHEMBL2086660,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2)cn1,3.6
CHEMBL150245,Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1,2.04
CHEMBL224267,COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)nc2c(N3CCN(C)CC3)cc(F)cc12,3.85
CHEMBL396724,O=C(N[C@H]1Cc2ccccc2N(C[C@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.27
CHEMBL2153303,CCCNc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1,2.33
CHEMBL1289232,Cc1cc(Cl)ccc1N1CCN(C(=O)COCc2ccncc2)CC1,3.22
CHEMBL1800656,CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,1.92
CHEMBL1079486,CC(=O)NC1CC(C)N(C(=O)c2ccccc2)c2ccccc21,2.0
CHEMBL372361,CSc1ccc(OCc2ccccc2)c(C(=O)Nc2ccc(C(=O)O)cn2)c1,1.6
CHEMBL1223455,Cc1cc2n[nH]c(=O)n2c2cc(-c3cccc(CO)c3)ccc12,3.36
CHEMBL1669155,CC1(COc2cc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)ccc2NC(=O)CN2CCOCC2)COC1,2.2
CHEMBL2346969,Fc1cccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F,3.6
CHEMBL562698,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl,1.77
CHEMBL1614705,O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1,1.79
CHEMBL48966,c1ccc2[nH]c(CCc3nc4ccccc4[nH]3)nc2c1,3.3
CHEMBL371888,COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC,3.6
CHEMBL2335881,COCCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,1.86
CHEMBL517,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,-0.54
CHEMBL448474,CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,3.16
CHEMBL2011937,COc1ccc(-c2nc3c(NCCCNC(=O)c4ccccc4)c(Br)cnc3[nH]2)cc1,0.25
CHEMBL1630120,COCCN1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c23)CC1,3.2
CHEMBL257659,Cc1cnc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2n1,3.55
CHEMBL2179669,Cc1cn([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(C(F)(F)F)c4)c3)C2)c(=O)[nH]c1=O,-0.38
CHEMBL2179275,Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,0.91
CHEMBL1944695,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccc4)cc3)c2s1,1.11
CHEMBL572823,COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC,3.19
CHEMBL406,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,1.83
CHEMBL1891338,COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1OC,3.7
CHEMBL2177758,Nc1nnc(CCSCCc2nnc(N)s2)s1,-0.1
CHEMBL1770471,CSCCC(NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1,3.69
CHEMBL93124,CNc1ccc(-c2nc3ccc(O)cc3s2)cc1,3.5
CHEMBL2086478,C=CC(=O)Nc1ccc(C)cc1,2.25
CHEMBL2335894,COCCC(=O)N[C@@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.05
CHEMBL1956112,CN1CCC[C@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21,0.37
CHEMBL1773,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,0.67
CHEMBL1322390,COc1ccc2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2c1,3.57
CHEMBL381724,COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1,2.7
CHEMBL2325732,CC(=O)NCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.4
CHEMBL2036588,O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2cccc(F)c2)o1,3.2
CHEMBL2031464,Cc1ccc(C(=O)NC2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.25
CHEMBL2325695,COc1cc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c2c1,2.4
CHEMBL135400,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,1.1
CHEMBL50161,COC(=O)CCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O,2.96
CHEMBL2207659,Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]nc2C(F)(F)F)CC1,3.02
CHEMBL560493,NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(/C(N)=N/O)ccc3c2)cc1,-0.85
CHEMBL1576727,COc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1,2.92
CHEMBL404957,CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1,1.11
CHEMBL2031238,Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.43
CHEMBL104298,Oc1nc2cc(Cl)cc(Cl)c2c(O)c1-c1ccccc1,1.6
CHEMBL2036763,O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1,2.74
CHEMBL1916536,COc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CS2,1.78
CHEMBL138649,O=c1cc(-c2ccccc2)oc2ccc(O)cc12,3.6
CHEMBL1669170,O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1,3.4
CHEMBL567508,NC(=O)c1c(N)sc2c1CCCC2,1.84
CHEMBL1472189,COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1,2.9
CHEMBL259515,Cn1sc(NC(=O)c2ccccc2)nc1=O,1.13
CHEMBL38576,CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,3.42
CHEMBL381055,O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1,3.73
CHEMBL2338020,CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl,2.3
CHEMBL894,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,2.12
CHEMBL407960,COc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1,4.25
CHEMBL1209820,CCCS(=O)(=O)c1ccc(C(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCCCC2)cc1,3.32
CHEMBL2030006,O=c1cc(-c2ccc(O)cc2)[nH]c2ccccc12,2.34
CHEMBL256115,CCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1,1.75
CHEMBL1789155,N#Cc1ccc(Cl)cc1S[C@H](CCN)c1ccccc1,1.26
CHEMBL405790,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Br,4.15
CHEMBL2144138,NC(=O)C1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1,0.4
CHEMBL1631889,C(#Cc1n[nH]c2ccccc12)c1ccccc1,4.31
CHEMBL350563,CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1,4.0
CHEMBL1917447,Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O,-0.16
CHEMBL1089168,O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1,3.8
CHEMBL1545637,O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1,3.49
CHEMBL564366,Cc1ccc2nc(CCNCCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2,1.18
CHEMBL914,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,0.42
CHEMBL1382733,Cn1c(-c2ccc(O)nc2)nc2ccccc21,1.2
CHEMBL306380,Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,4.1
CHEMBL1951079,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CCC(=O)O,-0.87
CHEMBL507142,CNC(=O)c1ccc(Nc2nccc(-c3cnc(C4CC4)n3C(C)C)n2)cc1,2.77
CHEMBL2012857,Nc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12,3.18
CHEMBL250389,COC1CCN(C(=O)C2CCN(CCc3c(-c4cc(C)cc(C)c4)[nH]c4sc(C(C)(C)C(=O)N5C6CCC5CC6)cc34)CC2)CC1,4.09
CHEMBL8953,COc1cc(C(=O)c2cc(Cl)ccc2N)cc(OC)c1OC,3.38
CHEMBL1612837,CC(C)(C)c1ccc(C2=NC(=O)C(CC(=O)O)S2)cc1,-0.1
CHEMBL1270279,Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(N5CCOCC5)cc(N5CCOCC5)c4)n3)c12,2.78
CHEMBL59925,Cc1cc(C)nc(N)c1,0.85
CHEMBL2158822,O=C(O)c1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.83
CHEMBL1762,Cc1cccc(C)c1NC(=O)C(C)N,-0.15
CHEMBL324875,Cc1ccc(CCOCCNS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)cc1,2.07
CHEMBL1818341,CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1,1.9
CHEMBL1101,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,2.49
CHEMBL2349324,CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12,4.5
CHEMBL1945044,COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1,0.91
CHEMBL71044,CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,1.9
CHEMBL700,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,-0.01
CHEMBL1934419,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCS(=O)(=O)CC2)cc1,0.25
CHEMBL488,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,0.6
CHEMBL198114,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1,1.84
CHEMBL1576801,Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1,3.43
CHEMBL1933592,C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCC(F)(F)CC4)nc32)[C@H](O)[C@@H]1O,1.42
CHEMBL2059859,Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,3.24
CHEMBL2360367,CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,3.27
CHEMBL572878,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1,3.47
CHEMBL1701081,Cn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21,2.81
CHEMBL27006,FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1,3.6
CHEMBL190747,COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1,3.52
CHEMBL2335903,C[C@@H](NC1=CC(=O)CCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.17
CHEMBL1368601,O=C(O)c1ccc2cccc(O)c2n1,3.3
CHEMBL1308863,Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C)n1,2.96
CHEMBL1897032,OC(CN1CCOCC1)c1ccccc1,1.0
CHEMBL2151324,CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1,2.97
CHEMBL1689133,C[C@H](Oc1ccc(Cl)cc1CN1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C1)C(=O)O,1.66
CHEMBL2078812,NC(=O)Nc1sc(-c2cc(F)cc(F)c2)cc1C(=O)N[C@H]1CCCNC1,2.18
CHEMBL2011916,CNc1c(Br)cnc2[nH]c(-c3ccc(OCCCN4CCOCC4)cc3)nc12,2.96
CHEMBL193,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],3.29
CHEMBL2164676,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1,1.75
CHEMBL1934418,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCSCC2)cc1,1.29
CHEMBL306835,C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NCCCO)cc1Cl)C(F)(F)F,2.1
CHEMBL1407985,N=C(N)Nc1nc2ccccc2o1,1.91
CHEMBL1916269,CCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1,0.36
CHEMBL2347404,Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2Cl)c1,3.2
CHEMBL1946019,CCN(C)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2NC(C)=O)cc1,2.79
CHEMBL198150,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1,1.73
CHEMBL255244,CCN1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(C)c2)CC1,1.2
CHEMBL243001,Cc1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,2.4
CHEMBL580,O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,2.38
CHEMBL2321992,OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1,0.62
CHEMBL185328,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(Cl)n1,3.1
CHEMBL325873,CC(C)C(NC(=O)Cn1c(-c2cccc(C(=O)O)c2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,1.2
CHEMBL189181,CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)cc1,4.28
CHEMBL1824363,O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccc1,3.07
CHEMBL1643194,Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,2.62
CHEMBL1287853,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,2.11
CHEMBL1956129,C[C@@](CCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)NO)S(C)(=O)=O,2.4
CHEMBL1807829,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3cccc(Cl)c3Cl)c2s1,2.2
CHEMBL1881943,NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1,2.36
CHEMBL1940315,O=C(NC1CCCS(=O)(=O)C1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,1.4
CHEMBL169473,COc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1,3.1
CHEMBL2314198,O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12,2.75
CHEMBL317281,CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1,1.48
CHEMBL1346348,O=C(c1scc2c1CCCC2)N1CCCCC1,3.16
CHEMBL1462105,O=C(NNc1cccc(Cl)c1)c1cccnc1Cl,1.87
CHEMBL238620,COc1ccc(C(=O)CS(=O)(=O)c2ccccc2)cc1,1.96
CHEMBL480618,COc1cc2c(Nc3ccc(F)cc3F)c(C(N)=O)cnc2cc1N1CCN(C)CC1,1.75
CHEMBL1652588,C#CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.16
CHEMBL1555870,NC(=O)c1sc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1,2.39
CHEMBL442956,O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1,0.78
CHEMBL99737,Nc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1,1.6
CHEMBL1700458,COc1ccc(C=C2SC(=O)NC2=O)cc1OC,1.17
CHEMBL1933588,C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCOC4)nc32)[C@H](O)[C@@H]1O,-0.06
CHEMBL1087399,C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ncc(F)cn1,2.26
CHEMBL1212983,Cc1cc(C)c2c(N)c(C(=O)NCc3ccccc3)sc2n1,3.41
CHEMBL2042558,O=[N+]([O-])c1cccc2ccc(C(Cl)(Cl)Cl)nc12,3.7
CHEMBL1807823,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCNCCc3ccccc3)c2s1,0.12
CHEMBL2068881,COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(C)n1,3.92
CHEMBL385240,COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4)c23)c1,3.6
CHEMBL272842,O=C(O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(CO)c(Cl)c3)CC2)CC1,0.8
CHEMBL1681799,CN1CCOc2cc(COc3ccccc3)cnc21,3.3
CHEMBL2325710,O=S(=O)(C1CCNCC1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1,1.1
CHEMBL514980,CN(CCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)s1)Cc1ccccc1,3.46
CHEMBL442137,CC12NC(Cc3ccccc31)c1ccccc12,1.7
CHEMBL1824045,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(-c6ccco6)cc54)CC3)nc2N1,2.19
CHEMBL2326624,COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1,1.61
CHEMBL384304,COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,2.08
CHEMBL370152,O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1,2.96
CHEMBL1682826,O=C1CCOc2nc(OCc3ccccc3)ccc21,3.1
CHEMBL1223952,NC(=O)c1cccc(C[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.19
CHEMBL1200558,CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1,-0.46
CHEMBL13902,COC(Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c(-c3ccccc3)cc2c1=O)OC,1.56
CHEMBL511782,COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,2.55
CHEMBL1461445,Cc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C,2.89
CHEMBL1807816,Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O,1.5
CHEMBL1682821,O=C(Oc1ccc2c(c1)OCCC2=O)c1ccccc1,3.6
CHEMBL127907,COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,2.6
CHEMBL555033,O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(NCCCO)ccc12,3.29
CHEMBL2036733,Cc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)c1,3.42
CHEMBL1947157,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4c(Cl)cccc4Cl)c3)c2s1,3.15
CHEMBL2086686,C[C@@H]1CN(C(=O)OC(C)(C)C#N)CCN1c1ncc(OCc2ccncc2C#N)cn1,2.3
CHEMBL1945294,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CN4CCCC4)c3)c2s1,-0.28
CHEMBL2312933,CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1,2.6
CHEMBL1778623,CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1,0.67
CHEMBL408194,COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C,2.55
CHEMBL1364572,NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N,2.91
CHEMBL446519,N#Cc1nc(NC2CCOC2)c(N)c(N2CCOCC2)n1,1.6
CHEMBL509881,Cc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C,2.7
CHEMBL1950852,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2OC)C1)C(C)(C)C,1.61
CHEMBL1087898,Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1,1.91
CHEMBL2171033,O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.5
CHEMBL1956334,CC(=O)c1ncccc1NC(=O)[C@H]1CC[C@H](N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1,3.01
CHEMBL1916275,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1,1.69
CHEMBL2086657,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(S(C)(=O)=O)cc3)nn2)CC1,2.93
CHEMBL186542,COc1cc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc(OC)c1OC,2.54
CHEMBL2325706,CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CCNCC1,0.7
CHEMBL1917430,Cc1c(Sc2ccc(Cl)cc2)c2ccc(S(C)(=O)=O)cc2n1CC(=O)O,0.79
CHEMBL2178949,Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@@H](C(=O)O)CC2)nc1C(N)=O,1.2
CHEMBL586702,FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1,3.04
CHEMBL339670,N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12,1.26
CHEMBL228761,O=C1C2CCC(N2)C(=O)N1Cc1ccccc1,2.21
CHEMBL271939,O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21,2.4
CHEMBL1438072,O=S(=O)(Nc1cccnc1)c1ccccc1,0.84
CHEMBL394527,O=C(N[C@@H]1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.27
CHEMBL336546,O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F,1.8
CHEMBL226804,CC(c1cc2ccccc2o1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,2.1
CHEMBL515001,Cc1ncc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1C(C)C,3.01
CHEMBL2024524,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)CC1,2.81
CHEMBL32,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,-0.18
CHEMBL1461377,O=C(c1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1,3.15
CHEMBL2011910,CNc1c(Br)cnc2[nH]c(-c3cccc(N)c3)nc12,2.96
CHEMBL284954,CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1,2.79
CHEMBL2035023,NC1(c2ccc(-c3nn4ccc(=O)nc4cc3-c3ccccc3)cc2)CCC1,0.2
CHEMBL1916261,CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,0.46
CHEMBL5,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,-0.1
CHEMBL1428115,CC(CC(=O)NCc1ccccc1)C1CCCO1,2.1
CHEMBL365903,NC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12,2.3
CHEMBL1835911,CCOC(=O)c1ccc(COC2CN(c3ccc(C)nn3)C2)cc1,2.5
CHEMBL1310086,COc1ccccc1Cn1c(C)nc2ccccc21,3.47
CHEMBL1950847,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(C)(C)C,0.78
CHEMBL141157,C#CC[C@@H](C(=O)N[C@H](/C=C/C(=O)OCC)C[C@@H]1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O,1.75
CHEMBL264026,CC[S+]([O-])c1ncccc1C1(O)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1,2.0
CHEMBL1823817,COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O,1.46
CHEMBL2348651,CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCN(C(C)=O)CC4)c3)ncc2C#N)s1,3.2
CHEMBL2086689,C[C@@H]1CN(c2ncc(F)cn2)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.4
CHEMBL1909734,Clc1ccccc1-c1cnn[nH]1,2.68
CHEMBL523058,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccn2)CC1,2.55
CHEMBL2036743,O=C(O)Cc1ccc(-c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cc2)cc1,1.5
CHEMBL1213376,COc1ccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)cc1OC,2.41
CHEMBL336399,O=C(O)c1cc2ccccc2n1Cc1ccccc1,0.78
CHEMBL2035029,NC1(c2ccc(-c3ncc4cnccc4c3-c3ccccc3)cc2)CCC1,2.2
CHEMBL855,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,1.88
CHEMBL1008,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,3.66
CHEMBL1605804,Cc1ccnc2nc(C(=O)Nc3nccs3)nn12,0.31
CHEMBL1762548,Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)C(C)C,3.9
CHEMBL1917425,Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)cccc2n1CC(=O)O,2.15
CHEMBL1236962,COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,2.5
CHEMBL2338347,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc([C@H](O)CO)cn2)cc1Cl,2.58
CHEMBL1824029,CC(O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.25
CHEMBL1607077,O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1,3.26
CHEMBL388474,O=C1c2ccccc2C(=O)N1c1ccc(O)cc1,2.0
CHEMBL1923434,Cc1[nH]c(C(=O)NC2CCN(c3nc(C(=O)O)cs3)CC2)c(Cl)c1Cl,0.14
CHEMBL78535,CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1,2.14
CHEMBL1270670,CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1,3.7
CHEMBL455428,CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1F,2.95
CHEMBL188705,COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)c1,3.71
CHEMBL1420171,Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2C,1.74
CHEMBL1800658,CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,2.33
CHEMBL44793,O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1,1.52
CHEMBL288470,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,0.78
CHEMBL441083,Cc1cccc(Nc2ncnc3ccccc23)c1,3.21
CHEMBL2087861,CCn1c(=O)c2c(-c3cc(C#N)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,4.13
CHEMBL1951908,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1,3.39
CHEMBL479446,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1,2.68
CHEMBL40,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,0.05
CHEMBL2035033,NC1(c2ccc(-c3c(-c4ccccc4)ccn4ccnc34)cc2)CCC1,2.0
CHEMBL1088752,Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1,3.5
CHEMBL490,Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,1.78
CHEMBL585,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,1.16
CHEMBL1458292,CCCCCc1ccc(-c2nnc(N)s2)cc1,4.13
CHEMBL600780,NNc1nc2ccccc2[nH]c1=O,0.44
CHEMBL1645108,Nc1nc2ccc(-c3cccc(O)c3)cc2s1,3.1
CHEMBL1270569,CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c3OCO4)n2)c1,2.83
CHEMBL565755,CCOc1ccc2nc(N)sc2c1,2.4
CHEMBL2035020,NC1(c2ccc(-c3nn4ccccc4c3-c3ccccc3)cc2)CCC1,3.2
CHEMBL404327,C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c12)C(=O)N1CCOCC1,2.81
CHEMBL2152906,CC#Cc1ccnc(-c2cccc([C@@]3(c4cc(C)c(=O)n(CC)c4)N=C(N)c4c(F)cccc43)c2)c1,4.4
CHEMBL954,CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,4.09
CHEMBL1835903,CCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)C2)cc1,3.22
CHEMBL1917459,CCS(=O)(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O,-0.29
CHEMBL113905,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccn2)c1=O)C(=O)C(F)(F)F,1.91
CHEMBL2089383,C=CC(=O)Nc1ccc(OC)cc1,1.68
CHEMBL1762546,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)n1,2.9
CHEMBL210887,O=C(Nc1nc2ccccc2n1CCCO)c1cccc([N+](=O)[O-])c1,3.0
CHEMBL1164165,O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12,2.5
CHEMBL1401353,Cc1cccc(NS(=O)(=O)c2cccc3nonc23)c1,3.0
CHEMBL1952147,NS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1,2.19
CHEMBL1917428,Cc1c(Sc2ccc(Cl)cc2)c2c(C#N)c(Cl)ccc2n1CC(=O)O,1.6
CHEMBL2178943,Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)c(Cl)c2)nc1C(N)=O,1.8
CHEMBL476993,Cc1ncc(-c2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3)ncc2F)n1C(C)C,2.19
CHEMBL517943,Fc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,4.28
CHEMBL2171990,CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N)CC2)cc1,0.67
CHEMBL130936,O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1,1.79
CHEMBL13923,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N)c1=O)C(=O)C(F)(F)F,1.74
CHEMBL327693,C[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl)C(F)(F)F,2.62
CHEMBL31,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,-0.82
CHEMBL1951076,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)COC(C)=O,2.07
CHEMBL441093,CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1,2.88
CHEMBL2087622,Cc1cc(C#N)oc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,4.34
CHEMBL480825,COc1cc2ncc(C(N)=O)c(Nc3cc(F)ccc3F)c2cc1OC,2.9
CHEMBL1418512,CC(C)N(c1nnc(N)s1)C(C)C,1.49
CHEMBL415247,CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1,2.39
CHEMBL89363,Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)O,1.2
CHEMBL366947,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2,2.48
CHEMBL1650725,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1,1.75
CHEMBL1487890,COc1cc(-c2nnc(S)n2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC,2.27
CHEMBL257600,Cn1cc(C#N)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.67
CHEMBL91863,Cc1ccccc1Nc1ncnc2ccccc12,2.85
CHEMBL2208429,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c2ccccc12,2.95
CHEMBL1720835,c1ccc(-c2cn3ccccc3n2)cc1,2.9
CHEMBL1683036,COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1,2.36
CHEMBL1645495,O=c1cc(-c2cccnc2)[nH]c2cc(Cc3ccccc3)ccc12,3.46
CHEMBL1682834,CC(=O)N1CCOc2cc(COc3ccccc3)cnc21,2.8
CHEMBL1668935,CS(=O)(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,2.7
CHEMBL113,Cn1c(=O)c2c(ncn2C)n(C)c1=O,-0.03
CHEMBL1907764,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1,3.05
CHEMBL260091,C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO,2.03
CHEMBL362902,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OCC(C)(C)CN(C)C)n1,2.2
CHEMBL62136,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,4.5
CHEMBL567175,Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314,2.7
CHEMBL556716,CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)cc1,2.9
CHEMBL2036777,CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.92
CHEMBL290663,O=C(NCCCN1CCCCC1)C(c1ccccc1)c1ccccc1,1.33
CHEMBL551707,O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc2nc(N3CCC[C@H](NCCc4nnn[nH]4)C3)ccc12,3.08
CHEMBL358816,O=c1ccc(=O)c2ccccc2[nH]1,1.02
CHEMBL574413,Cc1cc(Oc2ccnc(Nc3cccc(N4CCOCC4)c3)c2)c(-c2ccccn2)nc1C,3.27
CHEMBL110941,Cc1cc(C)cc(CCOCCS(=O)(=O)NCCNCCc2ccc(O)c3nc(O)sc23)c1,2.45
CHEMBL445102,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,2.25
CHEMBL1630123,CN1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c23)CC1,2.6
CHEMBL1373037,Nc1nccc(/C=C/c2ccc(Cl)cc2)n1,3.5
CHEMBL2207805,O=C(NCc1ccco1)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1,4.0
CHEMBL50149,O=C1C(=O)c2cccc([N+](=O)[O-])c2-c2ccccc21,2.6
CHEMBL79537,COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1ccc2ccc(C(=O)NCC3CCCC3)cc21,1.93
CHEMBL196585,Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1,3.86
CHEMBL402501,C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1,2.4
CHEMBL1916263,CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1,2.51
CHEMBL216981,CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1,2.32
CHEMBL402548,CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1,2.0
CHEMBL2179284,Cc1cn([C@H]2CCCN([C@H](CC3CCCCC3)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,1.83
CHEMBL561339,CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(O)c1,0.77
CHEMBL861,CCC1(c2ccccc2)NC(=O)N(C)C1=O,1.59
CHEMBL1287892,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)c(F)c3)sc12,2.17
CHEMBL2062580,CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C,2.94
CHEMBL607,CCOC(=O)C1(c2ccccc2)CCN(C)CC1,1.4
CHEMBL1946617,O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCC(O)CC1,1.89
CHEMBL441479,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl,4.37
CHEMBL1255781,O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12,2.0
CHEMBL245180,CNc1nc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2s1,3.7
CHEMBL1223873,NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.61
CHEMBL469790,COc1cc(-n2nnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1N1CC[C@@H](O)C1,3.15
CHEMBL340983,COc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1,4.39
CHEMBL1917457,CC(=O)Nc1cccc2c1c(Oc1ccc(Cl)cc1)c(C)n2CC(=O)O,-1.41
CHEMBL1950864,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1C[C@@H]2CC[C@H]1N(CCc1ccccc1)C2)C1CCCCC1,1.64
CHEMBL2326476,Nc1nc2cc3c(cc2s1)CCN(Cc1ccccc1)CC3,2.66
CHEMBL305406,Clc1cccc(Cl)c1/C(=C/n1cncn1)OC1CCCCCC1,4.1
CHEMBL1870155,O=C(NC1CCCCC1)c1cccnc1Sc1ccccc1,3.01
CHEMBL1809202,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(CO)cccn23)n1,3.1
CHEMBL2335870,COCCNC(=O)c1ccc(Nc2ncc3cc(-c4cccnc4)ccc3n2)cc1,3.11
CHEMBL2059862,Cc1ccc(-c2ncc(C)n2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.67
CHEMBL2170989,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O,1.9
CHEMBL184347,COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2Br)cc1OC,3.49
CHEMBL1762538,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCOCC3)cc(N3CCOCC3)c2)n1,3.3
CHEMBL1631470,CCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N,2.07
CHEMBL1463345,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1,3.2
CHEMBL13976,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C,1.75
CHEMBL204887,CC(C)Cn1c(=O)n(C)c(=O)c2c(SCCCO)c(Cc3ccccc3C(F)(F)F)sc21,4.05
CHEMBL2325743,C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.67
CHEMBL320777,O=S(=O)(CCCOCCNc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12,1.98
CHEMBL1290746,Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccccc2F)c1N,2.6
CHEMBL86,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,0.34
CHEMBL33227,COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12,3.58
CHEMBL1682944,CC[C@H](NC(=O)c1c(CS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.25
CHEMBL1568309,CC(=O)Nc1ccccc1C,1.0
CHEMBL471757,CC(C)(C)CNc1nc(C#N)nc(N2CCOCC2)c1N,3.08
CHEMBL180368,C[C@H]1CCCN1CCc1cc2cc(-c3ccc(C#N)cc3)ccc2o1,3.25
CHEMBL563,CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,0.85
CHEMBL133501,O=CN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1,2.01
CHEMBL487067,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NCCO)cc3)n2)n1C(C)C,2.09
CHEMBL2178940,Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](Cc4nnn[nH]4)CC3)cc2)nc1C(N)=O,1.4
CHEMBL1197051,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,0.56
CHEMBL387265,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(S(C)(=O)=O)CC1,2.82
CHEMBL211456,CN[C@@H](C)[C@H](O)c1ccccc1,-1.15
CHEMBL373250,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,2.4
CHEMBL2087084,CC(C)c1noc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)n1,3.1
CHEMBL578723,COc1ccc2nc3ccccc3c(N)c2c1,1.0
CHEMBL2321985,N#Cc1ccc2cccc(O)c2n1,1.81
CHEMBL1916083,CNC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,-0.54
CHEMBL1351138,CC(C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O,1.55
CHEMBL1650726,Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,1.82
CHEMBL44722,CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,4.18
CHEMBL2331740,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)O)c(Oc4ccc(Cl)c(Cl)c4)c3)C2)c(=O)[nH]c1=O,-0.87
CHEMBL1916279,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCC(C)(C)C)c(C)nn2-c2ccccc2)cc1,1.46
CHEMBL218490,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,0.27
CHEMBL1682938,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.17
CHEMBL2163582,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)CC1,3.59
CHEMBL81624,COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1ncc2ccc(NC(=O)CC3CCCC3)cc21,1.6
CHEMBL170307,CC(=O)NCc1ccc(CN2CCN(c3ccccc3)CC2)cc1,1.78
CHEMBL1201173,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,3.25
CHEMBL2030446,C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc3[nH]ccc3c2)n1,2.38
CHEMBL249789,OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccc(F)c(F)c4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,3.99
CHEMBL2164688,COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)CC3,2.4
CHEMBL53366,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,1.79
CHEMBL519301,Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1,1.2
CHEMBL397237,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12,3.29
CHEMBL287726,C[C@@H]1C2CCCC1(c1cccc(O)c1)CCN2C,0.52
CHEMBL1760962,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)n1,1.24
CHEMBL1682947,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1,3.14
CHEMBL485618,CCn1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOC)cc3)n2)cnc1C,2.44
CHEMBL1917436,CC(=O)Nc1ccc2c(c1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,0.2
CHEMBL1531981,Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)O)c1,1.63
CHEMBL1571558,Nc1[nH]ncc1S(=O)(=O)c1ccccc1,1.1
CHEMBL1083642,O=C(O)CO[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1,1.38
CHEMBL275742,CC(C)NC[C@@H](O)COc1cccc2ccccc12,1.13
CHEMBL390191,Cc1nc(CSc2nc(N[C@H](C)CO)c3sc(N)nc3n2)cs1,1.73
CHEMBL1886566,COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c(OC)c1,2.38
CHEMBL2158832,O=C(O)c1cccc(CN2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.26
CHEMBL1809058,COc1cc(N2CC3CNCC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,2.3
CHEMBL503732,CNC1=Nc2ncccc2C(c2cccs2)=NC1c1cccs1,2.63
CHEMBL163711,CC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(F)(F)F,3.07
CHEMBL115125,Cc1cc(NC(=O)c2ccccc2)n[nH]1,1.75
CHEMBL1075,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,3.1
CHEMBL2336327,COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CNCCO,1.31
CHEMBL1778628,N#Cc1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1,0.05
CHEMBL2170975,CC(C)(C)OC(=O)NCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,1.2
CHEMBL1770464,Cc1nc(C(=O)[C@H](C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)O,2.03
CHEMBL184011,COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1,3.17
CHEMBL2086676,Cc1cc(COc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)ccn1,3.7
CHEMBL2158815,O=C(O)C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.23
CHEMBL488937,Cc1c(N)cccc1Cn1ccc(OCCc2cccs2)cc1=O,2.78
CHEMBL1570112,CCn1c2ccccc2c2cc(NC(C)=O)ccc21,3.5
CHEMBL1222443,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12,2.07
CHEMBL2088118,C=CCn1c(=O)c2c(-c3nc(C#N)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.92
CHEMBL2070943,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)CC1,2.4
CHEMBL511,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,1.39
CHEMBL2147033,O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cnccc5c4)cc3)CC2)CN1C1CC1,3.32
CHEMBL132293,O=C([C@@H](O)CO)N1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1,1.09
CHEMBL322271,O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1cccc(Cl)c1,1.92
CHEMBL218006,C[C@H](NC1=NC(=O)[C@@](C)(C(F)(F)F)S1)c1ccccc1F,3.1
CHEMBL191413,CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1,0.51
CHEMBL1241982,COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(C)=O)CC4)nn3)c2c1,1.3
CHEMBL126519,CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc12,2.6
CHEMBL2023483,COc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1,3.78
CHEMBL13589,Nc1ncnc(Nc2ccccc2)n1,1.4
CHEMBL562308,O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(NCCNCCO)ccc12,1.79
CHEMBL1431859,NC(=O)c1cccnc1Oc1ccccc1,1.13
CHEMBL2151325,CCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1,2.55
CHEMBL2177612,CCCSc1c(C(=O)NC2CCCCC2)cnn1[C@H]1CC[C@H](C(=O)O)CC1,1.03
CHEMBL2089279,C[C@@H]1N[S@](=O)(c2cccc(-c3cccc(C#N)c3)c2)=NC1=O,0.4
CHEMBL2153187,CCCSc1nc(N2CCCCC2C(=O)O)ccc1C(=O)NC1CCCCC1,1.36
CHEMBL180184,CCN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,4.0
CHEMBL1448915,Cc1ccccc1C(=O)N1CCN(c2ccccn2)CC1,2.18
CHEMBL2165057,COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](OC)C3)c2c1,0.51
CHEMBL1807870,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3ccccc3Cl)c2s1,0.99
CHEMBL1683037,COc1cc2nnc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1,2.57
CHEMBL606371,Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(=O)O)c(C)c1,0.49
CHEMBL1796300,O=C(NCc1ccncn1)c1ccc(Oc2ccc(CCC3(O)CN4CCC3CC4)cc2)cc1,0.76
CHEMBL550438,CC1CCC(CC(=O)Nc2cccc3ncccc23)CC1,3.56
CHEMBL554332,O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)NC(c1ccc(F)cc1)c1ccc(=O)[nH]c1,3.04
CHEMBL2036746,O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc(Nc2ccccc2)o1,3.15
CHEMBL556667,O=C(Nc1cccc(Cl)c1)c1ccccn1,3.4
CHEMBL1916545,COc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1,1.16
CHEMBL1718800,c1ccc2[nH]c(CCCc3nc4ccccc4[nH]3)nc2c1,3.5
CHEMBL1778644,CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(F)c1,-0.92
CHEMBL300846,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12,2.0
CHEMBL478407,Cc1ncc(-c2ccnc(Nc3ccc(F)cc3)n2)n1C(C)C,3.62
CHEMBL1762541,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(CN3CCOCC3)cc(N3CCOCC3)c2)n1,3.0
CHEMBL1312599,O=S(=O)(Nc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1)c1ccccc1,4.38
CHEMBL151592,Cc1cccc(C(N)=O)c1NC(=O)c1ccccc1,1.09
CHEMBL1916543,COc1ncc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1,0.2
CHEMBL1682940,CC[C@H](NC(=O)c1c(S(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.17
CHEMBL467803,Cc1oc(S(C)(=O)=O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1cn(C)c2ccc(Cl)cc12,4.48
CHEMBL400964,CN1Cc2c(N)cccc2[C@@H](c2ccccc2)C1,2.11
CHEMBL186526,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,2.65
CHEMBL655,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,3.4
CHEMBL2036757,O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1,3.57
CHEMBL1890087,CC(C)Nc1nc(NCc2ccccc2)c2sccc2n1,3.9
CHEMBL2179282,CCC(C)(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,1.97
CHEMBL378730,Cc1ccc2c(c1)c(-c1ccnc3c(Cl)cccc13)c(C)n2CC(=O)O,1.27
CHEMBL424620,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2cccc(C(=O)O)c2)c1=O)C(=O)C(F)(F)F,0.68
CHEMBL261454,c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,2.57
CHEMBL2030443,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc(CO)c2)n1,1.0
CHEMBL1829424,CCC(c1nc2sccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1,2.06
CHEMBL191003,Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,1.87
CHEMBL2062162,Clc1ccccc1CNC[C@H]1CC[C@H](CNCc2ccccc2Cl)CC1,2.74
CHEMBL2059004,Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1,0.9
CHEMBL822,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,2.83
CHEMBL1088913,NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21,0.83
CHEMBL205245,Cc1nc(Cl)c(Cl)n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C,1.61
CHEMBL2335878,CN(C)CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.29
CHEMBL516,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,3.06
CHEMBL789,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,0.97
CHEMBL2361579,Cc1cc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2cc1C,2.8
CHEMBL2012204,Cc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)NO)no1,2.88
CHEMBL563471,Cn1cc(-c2cccc(C[C@H](NC(=O)c3cc(C(C)(C)C)nn3C)C(=O)NCC#N)c2)cn1,2.6
CHEMBL2031235,Cc1ccc(NC(=O)c2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,1.75
CHEMBL2086675,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3)cn2)CC1,3.4
CHEMBL2178735,Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1,3.44
CHEMBL2164685,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4cccc(F)c4c3C2)CC1,3.2
CHEMBL2163591,CS(=O)(=O)c1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)C3,1.7
CHEMBL235763,NC1=NC(c2ccc(Cl)c(Cl)c2)CC(=O)N1,1.46
CHEMBL741,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,1.38
CHEMBL2062555,N#Cc1cnn2c(N)cc(-c3cccs3)nc12,2.3
CHEMBL1891277,Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1,3.6
CHEMBL32800,CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,-0.06
CHEMBL2036739,O=C(Nc1ccc(N2CCOCC2)cc1)c1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)o1,3.72
CHEMBL380673,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCC3)c(Cc3ccccc3C(F)(F)F)sc21,3.46
CHEMBL450208,COc1cc2ncc(C(N)=O)c(Nc3ccccc3Cl)c2cc1OC,2.89
CHEMBL257006,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(N)nc12,3.22
CHEMBL2177390,CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,1.3
CHEMBL1762551,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1,3.9
CHEMBL2172000,Cc1nn(C)c2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12,2.7
CHEMBL1682823,O=C1CCOc2nc(C#CC3CCCCC3)ccc21,3.3
CHEMBL2024676,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1,3.15
CHEMBL2158817,O=C(O)C(c1ccccc1)N1CCO[C@@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,1.71
CHEMBL202314,O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCNCC2)cc1,-0.04
CHEMBL2153181,CCCSc1ncccc1C(=O)N1CCCC1c1ccncc1,1.95
CHEMBL277474,Cc1cc(=O)n(-c2ccccc2)n1C,0.11
CHEMBL1538857,Cc1cc(Nc2ccccc2)n(CCC#N)n1,2.3
CHEMBL28636,COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F,2.8
CHEMBL1721725,Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1,2.33
CHEMBL481611,CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1,2.9
CHEMBL2158774,Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,3.01
CHEMBL455427,Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)c(F)c3)n2)n1C(C)C,2.8
CHEMBL551765,O=C(NCC1CCCCCC1)c1cc(-c2cccnc2N2CCC(C(=O)O)CC2)ccc1Cl,2.53
CHEMBL380936,Nc1nc(NCc2ccccc2)nc2c1nc(O)n2Cc1ccccc1,3.69
CHEMBL2059000,CCCSc1nc2ccc(NC(=O)CCC(=O)O)cc2s1,0.5
CHEMBL260374,S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,2.3
CHEMBL1096435,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,3.86
CHEMBL1180257,CCC(c1ccncc1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,0.6
CHEMBL300664,O=C1C(=O)c2cc(-c3ccccc3F)ccc2-c2ccccc21,2.92
CHEMBL2010847,CO[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1,3.0
CHEMBL2030393,O=c1[nH]c([C@@H]2CCCN2)nc2c1oc1ccc(Br)cc12,2.19
CHEMBL277522,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,0.58
CHEMBL437526,CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12,1.16
CHEMBL2207225,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)Cc1ccnc(F)c1,2.49
CHEMBL1903477,NC(=O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1,1.37
CHEMBL597424,O=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1,2.84
CHEMBL2326690,C1=CCC(c2cc3ccccc3o2)CNC1,1.94
CHEMBL451462,Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2F)n1C(C)C,2.49
CHEMBL2071614,CC(C)(O)c1ccc(Nc2nc3ccc(C#N)cc3[nH]2)cc1,2.73
CHEMBL1626156,OCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1,2.98
CHEMBL2158783,Cc1c(Cl)ccc(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)c1Cl,3.15
CHEMBL2177165,Nc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C(=O)Nc1cccnc1,2.83
CHEMBL436826,CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1,4.25
CHEMBL1201256,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,0.74
CHEMBL367556,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1,0.66
CHEMBL2070947,CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)CC3)sc2c1,1.49
CHEMBL208118,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O,3.44
CHEMBL2208436,N#Cc1cccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1,3.09
CHEMBL2059861,Cc1ccc(-c2nccn2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.83
CHEMBL377309,CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCCCC3)c(Cc3ccccc3C(F)(F)F)sc21,4.14
CHEMBL74399,CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1,3.66
CHEMBL1945040,COc1ccccc1CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,0.15
CHEMBL512901,CCCc1nc2c(N)nc3ccccc3c2s1,4.09
CHEMBL2171017,COc1ccc(C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl,3.74
CHEMBL551170,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl,2.1
CHEMBL63323,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,1.0
CHEMBL602365,Cc1nc(NC(=N)N)nc2ccccc12,-0.49
CHEMBL11334,CC(C)c1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(=O)C(F)(F)F)C(C)C,2.63
CHEMBL1610669,CC(C)CCOc1ccc(N)cc1,2.67
CHEMBL157063,O=C(Nc1ccccc1)Nc1ccccc1C(=O)O,-0.12
CHEMBL1072,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,-0.3
CHEMBL482192,COc1cc2ncc(C(N)=O)c(Nc3cccc(F)c3F)c2cc1OC,2.82
CHEMBL1200147,Nc1ncc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cc1-c1nc2ccccc2o1,3.2
CHEMBL558,Cc1cccc(C)c1OCC(C)N,0.62
CHEMBL1944689,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4c(Cl)cccc4Cl)cc3)c2s1,2.3
CHEMBL277148,Oc1cc(-c2ccccc2)nc2ccccc12,2.54
CHEMBL2011928,COc1ccc(-c2nc3c(NCCCNC(C)=O)c(Br)cnc3[nH]2)cc1,3.28
CHEMBL1789148,CCC(CCNC)Oc1cc(Cl)ccc1C#N,0.38
CHEMBL233035,O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NCCO,3.05
CHEMBL11009,Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCCCc2ccncc2)c1,3.3
CHEMBL577241,Oc1ccc(CCc2ccc(O)cc2)cc1,3.3
CHEMBL1950724,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1)C1CCCCC1,0.82
CHEMBL1287891,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccncc3)sc12,0.77
CHEMBL1881806,NC(=O)c1nnn(-c2ccccc2)c1N,0.74
CHEMBL155103,CCOC(=O)c1cc2ccc(O)cc2oc1=O,1.2
CHEMBL1575409,COc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1,2.5
CHEMBL64941,Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1,3.8
CHEMBL1778650,CCC(Oc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)CC)cc1C)C(=O)O,0.31
CHEMBL203567,Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1,1.91
CHEMBL486232,CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,3.4
CHEMBL456,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,0.02
CHEMBL54429,O=C(Cc1ccc(OCc2ccccc2)cc1)NO,1.92
CHEMBL1223951,NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.76
CHEMBL1240967,CC(C)(Cc1cccc(CC(=O)NCc2cccc(-c3ccc(O)cc3)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1,1.91
CHEMBL190270,N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,3.82
CHEMBL469230,Cn1cc(S(C)(=O)=O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.18
CHEMBL168552,NS(=O)(=O)c1nc2ccccc2s1,1.35
CHEMBL1945293,COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,-0.54
CHEMBL336923,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)C(F)(F)F,3.12
CHEMBL1945292,COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,0.01
CHEMBL1689124,CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c1ccccc1,1.02
CHEMBL2331742,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,-1.28
CHEMBL13030,CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12,0.17
CHEMBL1241,CN(C)CCN(Cc1ccccc1)c1ccccn1,1.28
CHEMBL2036762,Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl,3.37
CHEMBL25236,COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1,3.53
CHEMBL502684,c1ccc(OCC2CNCCO2)cc1,0.2
CHEMBL273575,CN1Cc2c(N)cccc2C(c2ccccc2)C1,2.08
CHEMBL1835919,Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2,-0.5
CHEMBL2086670,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(C#N)cc2)cn1,2.89
CHEMBL2017459,CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1,3.3
CHEMBL417727,Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,2.23
CHEMBL1232461,CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,2.46
CHEMBL1892375,O=C(Nc1ccccc1)c1cc(Cl)ccc1O,2.9
CHEMBL206200,COCCNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1,2.18
CHEMBL1428,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,3.8
CHEMBL2070944,Cc1sc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)nc1C(F)(F)F,2.87
CHEMBL1190521,CCOC(=O)C1(c2cccc(O)c2)CCCN(CC2CC2)C1,1.89
CHEMBL181858,C=CCN(C(=O)NCc1ccc(OC)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.6
CHEMBL1917442,Cc1ccc2c(c1)c(Sc1ccccc1Cl)c(C)n2CC(=O)O,1.71
CHEMBL2105728,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,1.99
CHEMBL1529080,Cn1sc(=O)c2cc(S(=O)(=O)NC3CC3)ccc21,1.3
CHEMBL254359,Nc1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1,1.2
CHEMBL358325,Cc1sc(N2CCN(C)CC2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,2.58
CHEMBL50347,COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,2.9
CHEMBL2325738,NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.5
CHEMBL488238,CNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O,3.19
CHEMBL1789187,N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1,-0.49
CHEMBL2331750,Cc1cc(Oc2cc(S(=O)(=O)N3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2O)ccc1Cl,2.4
CHEMBL2218940,N#C/C(=C(\N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F,3.4
CHEMBL217620,CC(C)N(C(=O)C(c1cccnc1)C(CNC(=O)NCc1ccccc1F)c1ccccc1)C(C)C,4.2
CHEMBL472618,N#Cc1nc(NC2CCCC2)c(N)c(N2CCOCC2)n1,2.59
CHEMBL1454,c1ccc([C@H]2CN3CCSC3=N2)cc1,0.81
CHEMBL14638,O=C(c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1,2.68
CHEMBL73234,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,1.33
CHEMBL291514,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCCCC1,3.3
CHEMBL123846,CCCc1c(OCCCOc2ccc3c(=O)cc(C(=O)O)oc3c2CCC)ccc(C(C)=O)c1O,3.0
CHEMBL374023,CC(C)N1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1,2.75
CHEMBL1824034,COC(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.83
CHEMBL1916289,Cc1nn(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C,2.35
CHEMBL314566,Oc1cc(Cl)cc(Cl)c1,3.58
CHEMBL21731,CNCCCC12CCC(c3ccccc31)c1ccccc12,0.89
CHEMBL2088101,Cc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1,2.8
CHEMBL498404,CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(C(N)=O)c1,2.28
CHEMBL322479,CC(C)(CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc(O)sc12,2.92
CHEMBL2164679,C[C@H](C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1,3.1
CHEMBL1916539,COc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1,1.31
CHEMBL1229059,N=C(N)SCc1ccc(Cl)c(Cl)c1,1.28
CHEMBL54,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,2.67
CHEMBL2030439,O=S(=O)(Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1)c1ccc(F)cc1,1.59
CHEMBL1939752,CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3cccnc3)CC2)c1,3.02
CHEMBL1809197,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(OC)c(-c2cnc3ccccn23)n1,3.2
CHEMBL1778627,CN(c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1)S(C)(=O)=O,-0.81
CHEMBL2158824,O=C(O)c1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,2.31
CHEMBL380005,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)CC1,1.88
CHEMBL560423,O=C(NCC1(O)CCCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl,0.26
CHEMBL1796296,O=C(NCc1ccncc1)c1ccc(Oc2ccc(C#CC3(O)CN4CCC3CC4)cc2)cc1,2.48
CHEMBL2349334,CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12,3.22
CHEMBL452,O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,3.72
CHEMBL2177777,CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)(=O)=O)cc2F)CC1,3.4
CHEMBL1172,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,1.48
CHEMBL273235,Fc1ccc(-n2cc(C3CCNCC3)c3cc(Cl)ccc32)cc1,2.4
CHEMBL462192,Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C,2.02
CHEMBL650,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,2.12
CHEMBL1682830,CCN1CCOc2cc(COc3ccccc3)cnc21,3.7
CHEMBL266094,Nc1ncnc2c1ncn2Cc1ccccc1,1.53
CHEMBL360106,CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,4.1
CHEMBL2216902,CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C4CCS(=O)(=O)CC4)C3)n(C)c2n1,2.9
CHEMBL317935,C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(N2CCOCC2)c1,3.24
CHEMBL2088121,COc1c(N2CCO[C@@H](CN(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,-0.62
CHEMBL429023,C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1,3.57
CHEMBL605846,COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1,0.79
CHEMBL1586839,Cc1ccc(CN2C(=O)CCSc3ccc(Cl)cc32)cc1,3.7
CHEMBL578061,c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1,4.06
CHEMBL2036736,O=C(Nc1nnc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1)c1ccc(Cl)cc1,1.92
CHEMBL1468936,CCOC(=O)c1c(-c2ccccc2)nc2cc(C)ccn12,3.8
CHEMBL1682810,CN1CCOc2nc(C#Cc3ccccc3)ccc21,3.8
CHEMBL1709618,COc1ccc(C(CNC(=O)Nc2ccccc2)N2CCN(C)CC2)cc1,1.5
CHEMBL2144949,c1ccc2c(c1)nnn2-c1ccncc1,1.69
CHEMBL1458783,Nc1nccc(-c2cccs2)n1,1.75
CHEMBL2087848,CC#CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.61
CHEMBL303714,NCc1nc2ccccc2[nH]1,0.4
CHEMBL14642,CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1,2.51
CHEMBL335550,O=C1CCC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1,3.88
CHEMBL2142704,CC1CC(=O)Nc2ccccc2N1,0.56
CHEMBL488084,Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)n1C(C)C,2.39
CHEMBL1789224,CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1,1.3
CHEMBL1489473,O=C(Nc1nc(-c2ccccc2)cs1)c1cccnc1,3.62
CHEMBL117,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,3.83
CHEMBL86754,Oc1c(I)cc(I)c2cccnc12,2.19
CHEMBL2349312,CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2[nH]c(=O)sc12,4.3
CHEMBL38688,c1ccc(Nc2ccccc2)cc1,3.2
CHEMBL2177607,O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C(F)(F)F)cc1,1.5
CHEMBL1952100,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(Cl)cc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1,2.6
CHEMBL1079772,Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@H]3CCCO3)nc12,2.65
CHEMBL1957841,O=c1cc(N2CCOCC2)nc2n(Cc3cccc4ccccc34)ccn12,3.3
CHEMBL373339,CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,1.74
CHEMBL1345229,CC1CCN(C(=O)c2scc3c2OCCO3)CC1,2.26
CHEMBL260135,Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12,2.6
CHEMBL1934268,CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1,0.95
CHEMBL50608,Nc1cc(-c2ccccc2)nc2ccccc12,2.2
CHEMBL1778618,N#Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1,-1.08
CHEMBL486894,O=c1oc2ccc(O)cc2cc1-c1ccc(O)cc1,2.9
CHEMBL393717,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCNCC2)ccc1Cl,1.77
CHEMBL1951011,Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1,3.7
CHEMBL87,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2,1.12
CHEMBL89786,c1ccc(-c2ccc3ccccc3n2)cc1,4.0
CHEMBL2086687,C[C@@H]1CN(C(=O)OCC(F)(F)F)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.0
CHEMBL109937,FC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1,2.9
CHEMBL1807871,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCNCCc3cccc(Cl)c3Cl)c2s1,1.74
CHEMBL246746,Clc1ccc2[nH]ncc2c1,2.44
CHEMBL2030806,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)O)cc2)n1,0.52
CHEMBL2062572,CC(=O)Nc1ccc2ccn(-c3cc(NCCCCO)n4ncc(C#N)c4n3)c2c1,2.58
CHEMBL1180725,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,0.2
CHEMBL1486517,O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,2.5
CHEMBL450061,CC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N,2.79
CHEMBL413065,CCc1nc2c(N)nc3ccccc3c2n1CC(C)C,2.55
CHEMBL452530,NC(=O)Nc1sc(-c2ccc(OCCN3CCCCC3)cc2)cc1C(N)=O,1.2
CHEMBL2086692,Cc1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1,2.6
CHEMBL2177605,O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C2CCC2)cc1,1.33
CHEMBL1689134,C[C@H]1CN(Cc2cc(Cl)ccc2OC(C)(C)C(=O)O)CCN1S(=O)(=O)c1ccccc1,0.54
CHEMBL2206788,COCCC(Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(C)cn1,3.5
CHEMBL261849,COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,2.27
CHEMBL1934266,CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1,0.92
CHEMBL1689135,C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1C(=O)Cc1ccc(Cl)cc1,1.66
CHEMBL139,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,1.08
CHEMBL2010846,CO[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N(C)C(=O)Cc1ccc(-n2cnnn2)cc1,3.1
CHEMBL1631471,Nc1c(C(=O)NC2CC2)nnc2c(-c3ncccn3)cccc12,1.5
CHEMBL1829416,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)nc1,2.56
CHEMBL202721,COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1,3.5
CHEMBL321590,O=C(NO)C1COC(c2ccc(F)c(C(F)(F)F)c2)=N1,1.53
CHEMBL1289233,O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1,3.38
CHEMBL2057371,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC(=O)N4CCCC4)nn3c2)c1,1.37
CHEMBL325226,Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C,3.5
CHEMBL1957361,CCOc1ccccc1-c1ccc(-c2nc3ccncc3c(O)c2C#N)cc1,3.0
CHEMBL420055,COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1cnc2ccc(NC(=O)CC3CCCC3)cc21,0.9
CHEMBL187709,CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,3.98
CHEMBL1705098,Cc1ccc(Oc2ccc(OCC(=O)Nc3ccncc3)cc2)cc1,4.3
CHEMBL1437137,CC(N)(COP(=O)(O)O)C(=O)O,2.5
CHEMBL646,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,2.34
CHEMBL1682807,Cn1cnc2cc(C#Cc3ccccc3)cnc21,3.5
CHEMBL1783283,CCCNC(=O)c1nnc2c(-c3ccc(OC)cc3OC)c(F)ccc2c1N,3.52
CHEMBL111350,O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCSCCc1ccccc1,1.77
CHEMBL1164184,O=C(Nc1ncc(F)s1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,3.3
CHEMBL388337,O=c1[nH]n(Cc2cc3ccccc3s2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,2.0
CHEMBL2208434,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc(=O)[nH]c2ccccc12,3.48
CHEMBL1783246,CCCNC(=O)c1nnc2c(-c3ccccc3)cccc2c1N,3.8
CHEMBL254129,CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,2.63
CHEMBL2325986,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccccc1,2.17
CHEMBL841,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,3.47
CHEMBL1779004,COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1,2.29
CHEMBL1916282,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2-c2ccccc2)cc1,1.44
CHEMBL279250,CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,1.79
CHEMBL2062571,CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1,2.24
CHEMBL1163879,COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,2.92
CHEMBL2086680,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3C#N)cn2)CC1,2.81
CHEMBL1809196,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(-c2cnc3ccccn23)n1,3.7
CHEMBL480208,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C#N)cn3)CC1)C(=O)C2,2.46
CHEMBL1766082,Cc1ncccc1Oc1ncnc(OC2C3COCC2CN(C(=O)OC(C)C)C3)c1C,3.1
CHEMBL2087849,Cn1cncc1-c1c2c(=O)n(CC3CC3)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,4.33
CHEMBL1444,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,1.7
CHEMBL2169908,Cc1noc2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12,2.67
CHEMBL402507,Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)N5CCOCC5)c34)cc2C)cn1,4.14
CHEMBL211175,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)c(F)c2)CC1,2.55
CHEMBL373974,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3C[C@H](O)[C@H](O)C3)c(Cc3ccnc4ccccc34)sc21,1.18
CHEMBL339051,CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,2.78
CHEMBL1782927,Oc1ccc(-c2nc3ccccc3nc2-c2ccc(O)cc2)cc1,2.7
CHEMBL831,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,3.24
CHEMBL150606,COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cncn1,3.2
CHEMBL287200,CN1CCc2c1nc1ccccc1c2NC(=O)Cc1ccccc1,2.8
CHEMBL413558,COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1OC,3.12
CHEMBL315708,c1ccc(-c2[nH]nc3ccccc23)cc1,3.79
CHEMBL460103,Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)ncc2F)n1C(C)C,2.36
CHEMBL407848,Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2,3.21
CHEMBL2164674,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1,1.91
CHEMBL187392,Oc1ccc(-c2nc3cc(O)ccc3o2)cc1,3.4
CHEMBL2335882,COCCN(C)Cc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.65
CHEMBL1082811,N#Cc1c(-c2ccccc2)nc(SCc2ccccc2)[nH]c1=O,1.56
CHEMBL549344,CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O,1.24
CHEMBL2011943,COc1ccc(-c2nc3c(NCCCNC(=O)C4CCCC4)c(C(N)=O)cnc3[nH]2)cc1,3.13
CHEMBL1950846,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)(C)C,0.9
CHEMBL2335865,COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccnc(C)c4)ccc3n2)cc1,3.56
CHEMBL1887445,CCCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1,3.2
CHEMBL2070946,N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)s1,1.2
CHEMBL1771,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,3.69
CHEMBL1456,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,2.26
CHEMBL2086690,CC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1,3.3
CHEMBL2177155,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(C(F)(F)F)c2)CC1,3.25
CHEMBL2010839,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)nc2)CC1,1.8
CHEMBL1231533,O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1,2.8
CHEMBL403877,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(=O)[nH]c12,2.48
CHEMBL1289113,O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2Cl)CC1,2.63
CHEMBL2088097,Cc1cc(CNc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)on1,2.68
CHEMBL72,CNCCCN1c2ccccc2CCc2ccccc21,1.24
CHEMBL2324776,O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F,1.15
CHEMBL1809207,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(CO)ccn23)n1,3.1
CHEMBL2059196,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1,-0.99
CHEMBL1766081,Cc1ncccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,3.8
CHEMBL1082704,O=C(O)CC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1,2.84
CHEMBL2086655,CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)nc2)CC1,3.1
CHEMBL2325737,NC1(C(=O)NC(CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.4
CHEMBL56942,COc1cc(OC)cc(-c2cc3cnc(N)nc3nc2N)c1,2.14
CHEMBL1224140,Cc1cc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc(C(N)=O)c1,2.08
CHEMBL574621,COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC,2.66
CHEMBL1288718,N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12,3.71
CHEMBL2158790,Cc1c(OC2CCN(CC3CCN([C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(Cl)c1Cl,2.98
CHEMBL1718768,CCn1c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nnc1-c1cccs1,2.1
CHEMBL1223872,CN(C)C(=O)N[C@H]1CC[C@@H](CCN2[C@H]3CC[C@@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)CC1,0.22
CHEMBL325870,CCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,2.37
CHEMBL2326523,Cc1ccc(C(=O)N(CCCN)[C@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1,2.88
CHEMBL1939743,CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(CCOC)CC2)cc1,2.35
CHEMBL1916274,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2-c2ccccc2)cc1,1.68
CHEMBL1645135,C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1)CC2)c1ccc(C(=O)O)cc1,1.47
CHEMBL466006,Cc1cccc(NC(=O)c2ccc(-c3ccccc3)c(C#N)c2)n1,3.71
CHEMBL2169919,CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O,2.4
CHEMBL2165615,Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cc(C)oc3c2)cn1,2.1
CHEMBL1779014,COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1,3.76
CHEMBL44245,CC(c1ccccc1)N1Cc2ccccc2C1=O,3.0
CHEMBL1289717,O=c1cc(-c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,1.6
CHEMBL2163584,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)CC1,3.12
CHEMBL1669158,CCOc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1,2.8
CHEMBL1945290,CCOc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,1.13
CHEMBL1422,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,0.31
CHEMBL1807872,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCNCCc3cccc(Cl)c3)c2s1,-0.03
CHEMBL2023801,CCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C,2.79
CHEMBL52047,Nc1cccc2c1C(=O)C(=O)c1ccccc1-2,2.95
CHEMBL1312533,CC(=O)NC1CC2CCCC(C1)N2C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,2.79
CHEMBL1783259,COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC(C)C)nnc23)c1,3.65
CHEMBL1886726,CC1CN(C(=O)c2ccccc2)c2ccccc2NC1=O,1.73
CHEMBL1609658,CCOc1ccc(-c2cnc3n2CCCCC3)cc1,3.01
CHEMBL1086580,Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2,3.07
CHEMBL1209511,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccc(Br)s1,3.52
CHEMBL1779503,O=C(NCCc1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl,0.74
CHEMBL1917449,CC(=O)Nc1cccc2c1c(S(=O)(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O,0.4
CHEMBL2153174,O=S(=O)(Cc1c(F)cccc1F)N1CCN(c2ncccc2C(F)(F)F)CC1,3.9
CHEMBL1534781,COc1cnc(-c2ccccn2)nc1N(C)c1ccccc1,2.79
CHEMBL570192,Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,2.86
CHEMBL2029359,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cnc3[nH]ccc3c2)n1,1.92
CHEMBL549635,O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N(CCCO)Cc1ccc(F)cc1,3.04
CHEMBL418822,CC(C)C(NC(=O)Cn1c(-c2cccnc2)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,3.05
CHEMBL661,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,1.98
CHEMBL1682959,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1,2.84
CHEMBL2180037,CC#Cc1cncc(-c2cccc(C3(C4CC4)N=C(C)C(N)=N3)c2)c1,3.3
CHEMBL1359777,Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1,3.46
CHEMBL2087625,Cc1oc(C#N)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,4.26
CHEMBL2207672,Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(S(C)(=O)=O)ccc34)CC2)c1Cl,2.83
CHEMBL1479463,COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12,2.0
CHEMBL564535,CN(C)C[C@H](O)Cc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1,2.19
CHEMBL1430943,CCCS(=O)(=O)N1CCCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,3.44
CHEMBL2325988,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1cccnc1,1.2
CHEMBL419951,CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21,3.55
CHEMBL198750,O=c1cc(N2CCOCC2)oc2c(-c3cccc4c5c(sc34)CCCC5)cccc12,4.1
CHEMBL2035035,NC1(c2ccc(-c3c(-c4ccccc4)ccn4ncnc34)cc2)CCC1,1.7
CHEMBL107313,CCCc1cc(C2=N[C@@H](C(=O)NO)CO2)cc(OC)c1OC,1.69
CHEMBL374656,CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sccc2[nH]1,3.1
CHEMBL128782,COc1c(C#N)cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(N2CCCNC2=O)CC1)c1ccc(Cl)c(Cl)c1,3.0
CHEMBL1623850,CC(=O)N1CCN(CC(O)COc2ccc(Br)cc2)CC1,1.6
CHEMBL1186433,CC(=N)NCc1ccccc1,-0.28
CHEMBL119385,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,2.74
CHEMBL1699517,Cc1nc(CS(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1,1.07
CHEMBL562310,O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1,3.28
CHEMBL2163349,CS(=O)(=O)c1ccc2c3c([nH]c2c1)CCN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)C3,1.5
CHEMBL1800526,COc1ccnc(CCc2nc3cc(Br)cnc3[nH]2)c1,2.92
CHEMBL101473,Cc1cnc(Nc2ccc(OCC(O)CN(C)C)cc2)nc1Nc1ccccc1,2.0
CHEMBL283334,O=c1c(-c2ccc(F)cc2)coc2cc(O)cc(O)c12,3.6
CHEMBL1180272,CCCCC(c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O,1.4
CHEMBL93884,Nc1ccc(-c2nc3ccc(O)cc3s2)cc1,3.2
CHEMBL472210,CCn1c2nc(=O)n(C)c(=O)c-2cc2ccccc21,1.1
CHEMBL274713,CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,3.87
CHEMBL78951,Nc1nc(N)c2nc(CO)cnc2n1,-0.45
CHEMBL227198,CN(C)C(=O)Nc1ccc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1,1.1
CHEMBL22242,CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,0.05
CHEMBL316388,C[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F,1.5
CHEMBL154,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,0.13
CHEMBL520734,NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)N[C@H]1CCCNC1,1.06
CHEMBL424,O=C(O)c1ccccc1O,-1.36
CHEMBL806,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,3.46
CHEMBL2151322,CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cn4)nc32)n[nH]1,2.79
CHEMBL2036584,O=C(Nc1ccc(Oc2cccnc2)nc1)c1nnc(Nc2ccccc2F)o1,3.1
CHEMBL263655,Cn1sc(NCc2ccccc2)nc1=O,1.2
CHEMBL25710,CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(=O)CC)c1O,3.57
CHEMBL1950722,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1,1.65
CHEMBL2325987,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(F)cc1,2.4
CHEMBL1892245,O=C(O)CSc1c[nH]c2ccccc12,-1.31
CHEMBL486504,COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(C)=O)CC2,1.81
CHEMBL46,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,1.67
CHEMBL1689129,C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccccc1Cl,1.1
CHEMBL2153179,CCCSc1ncccc1C(=O)N(C)[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2,2.49
CHEMBL1480954,FC(F)(F)c1nnc2ccc(-n3ccnc3)nn12,0.91
CHEMBL2178393,Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1,2.0
CHEMBL389348,N=C(N)NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(=O)O,0.18
CHEMBL184659,COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN1CCCC1,2.7
CHEMBL2325014,Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,2.3
CHEMBL231450,COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O,0.74
CHEMBL2179665,Cc1cn([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,-0.55
CHEMBL222519,NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nc(O)c(O)nc12,0.36
CHEMBL1650732,Cc1cc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1,1.91
CHEMBL1218,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,2.57
CHEMBL2335900,C[C@@H](NC(=O)[C@H]1CCCNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,1.69
CHEMBL1946028,O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCC1,2.52
CHEMBL51085,O=c1c2ccccc2[se]n1-c1ccccc1,3.31
CHEMBL2177173,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4CN4CCCC4)n3)cc2)CC1,3.28
CHEMBL1951909,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)N2CCN(S(C)(=O)=O)CC2)CC1,1.25
CHEMBL187007,COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(N(C)C)c4)ccc3Cl)c2cc1OC,4.26
CHEMBL535,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,2.26
CHEMBL256963,Clc1ccc2ncc(-c3cccc(NC4CNC4)n3)n2c1,1.19
CHEMBL191528,CCOc1ccc2ccc(=O)oc2c1,2.2
CHEMBL1169880,C[C@@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F,3.49
CHEMBL1783264,COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc23)c1,4.48
CHEMBL1977402,Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2)c(S)cc1Cl,2.09
CHEMBL1308362,Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2c1,2.3
CHEMBL390674,Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2)n1,3.47
CHEMBL1165028,O=C(NCCSCc1ccccc1)c1ccccc1,3.3
CHEMBL1524763,Fc1ccc(-c2cn3ccccc3n2)cc1,3.1
CHEMBL377772,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O,2.64
CHEMBL262721,COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCCO4)ncnc2c1,2.26
CHEMBL2207276,Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(S(C)(=O)=O)ccc23)CC1,2.42
CHEMBL778,Cc1cccc([C@H](C)c2c[nH]cn2)c1C,2.79
CHEMBL1809221,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(C#N)ccn23)n1,2.3
CHEMBL207584,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O,3.58
CHEMBL93484,CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1,-0.8
CHEMBL1712280,c1ccc(N2CC3COc4ccccc4C3=N2)cc1,4.28
CHEMBL2331745,COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cc1Oc1cccc(Cl)c1,2.73
CHEMBL1233655,CC(=O)Nc1nc(C)c(-c2cnc(F)c(NS(=O)(=O)c3sc(C)nc3C)c2)s1,0.55
CHEMBL1392670,O=C(Oc1ccccc1O)c1cccc2ccccc12,4.4
CHEMBL1086473,CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1,4.17
CHEMBL1779007,COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1,2.6
CHEMBL370387,Nc1nc2nc(SCc3cccc(F)c3F)nc(O)c2s1,2.5
CHEMBL128637,COc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1,1.62
CHEMBL1163492,CCN(C(=O)NCc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.9
CHEMBL1441,CCc1cc(C(N)=S)ccn1,1.52
CHEMBL2172002,COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)[C@H](C)C2)nc1OC,2.3
CHEMBL2208427,COc1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)ccc1N,3.12
CHEMBL698,CCCCNc1ccc(C(=O)OCCN(C)C)cc1,2.11
CHEMBL67860,Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=O)N2,2.85
CHEMBL121,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,2.5
CHEMBL12610,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,2.4
CHEMBL2068839,Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1,3.21
CHEMBL526925,Cn1cnc(-c2ccccc2)c1/C=C/c1ccnc(N)n1,2.61
CHEMBL363160,CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1,3.31
CHEMBL1762528,CN(c1cccc(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,2.6
CHEMBL6399,CN(C)c1cccc2c(S(=O)(=O)Nc3cnccn3)cccc12,0.9
CHEMBL1418939,COc1cnc(-c2ccccn2)nc1Oc1ccc(F)cc1F,3.1
CHEMBL1807852,C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CC5CC5C4)nc32)[C@H](O)[C@@H]1O,1.66
CHEMBL1094168,CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1,3.88
CHEMBL2031241,Cc1ccc(C(=O)Nc2nccs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.56
CHEMBL202626,O=C(Nc1ccccc1F)NC1N=C(c2ccccc2)c2ccccc2NC1=O,3.8
CHEMBL59438,Oc1ccc(-c2ccc3cc(O)ccc3n2)cc1,3.1
CHEMBL1288278,NC(=O)c1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1,0.28
CHEMBL474484,CC(C)CNc1nc(C#N)nc(N2CCNCC2)c1N,0.7
CHEMBL1824030,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(O)cc54)CC3)nc2N1,0.52
CHEMBL1077979,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O,1.64
CHEMBL1423809,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1,2.8
CHEMBL381098,CCSc1c(Cc2ccccc2C(F)(F)F)sc2c1c(=O)n(C)c(=O)n2CC(C)C,4.49
CHEMBL322640,CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1,2.6
CHEMBL1916542,COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1,0.93
CHEMBL1824379,CCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1,2.46
CHEMBL403225,C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12,3.53
CHEMBL550687,N=C(N)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1,0.5
CHEMBL2087433,COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CCN(C)CC3)CC2)c(C)c1,0.3
CHEMBL1945035,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3CNCCc3ccccc3F)c2s1,1.58
CHEMBL2177621,CSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1,1.2
CHEMBL50973,O=C1C(=O)c2ccc([N+](=O)[O-])cc2-c2ccccc21,2.56
CHEMBL2010842,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2nc3cc(F)ccc3s2)CC1,2.85
CHEMBL331019,O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1,3.6
CHEMBL476577,CC(=O)NC1CN(c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1,2.76
CHEMBL1939737,CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1,3.99
CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,0.06
CHEMBL475865,Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1,2.83
CHEMBL257478,Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)N(C)CCO)c34)cc2C)cn1,3.85
CHEMBL33899,CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1,3.89
CHEMBL187845,O=C(NCc1ccccc1Cl)c1ccccc1Oc1ccccc1,3.58
CHEMBL2153435,CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,2.42
CHEMBL217665,CN1CCN(c2ccc(Nc3ccnc4ccccc34)cc2)CC1,1.3
CHEMBL376632,Cc1cc(N2CCC[C@@H]2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1,2.5
CHEMBL787,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,3.45
CHEMBL411799,COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc1ccc(C)nc1,3.6
CHEMBL256576,C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12)C(=O)N1CCOCC1,2.82
CHEMBL354788,NC1=NC(c2ccco2)Nc2c(F)ccc(F)c21,1.2
CHEMBL15932,COc1cccc2[nH]ncc12,2.1
CHEMBL1963249,C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1,3.3
CHEMBL2011895,CNc1c(Br)cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc12,2.56
CHEMBL1557849,COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CN1CCOCC1,3.8
CHEMBL2035028,NC1(c2ccc(-c3ncc4ncccc4c3-c3ccccc3)cc2)CCC1,2.0
CHEMBL1682956,CC[C@H](NC(=O)c1c([S+]([O-])CC)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.45
CHEMBL115523,O=C(Nc1ccccc1)c1ccccc1,2.8
CHEMBL1736016,O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2cccs2)C1,2.93
CHEMBL1302851,CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)[nH]1,4.13
CHEMBL257027,C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12,2.75
CHEMBL1223870,CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)CC1,0.12
CHEMBL2326478,Nc1nc2cc3c(cc2s1)CCN(Cc1cccc(F)c1)CC3,3.3
CHEMBL1951073,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(C)=O,1.97
CHEMBL1352372,N#Cc1c(N)nc2c(c1N)CC(COc1ccccc1)O2,2.08
CHEMBL1575581,Cc1ccc2c(N)c(C#N)sc2n1,2.23
CHEMBL2030436,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc3[nH]ccc3c2)n1,2.06
CHEMBL1258188,COc1ccc(-c2c(C)c3ccc(OC)cc3oc2=O)cc1,3.31
CHEMBL1451838,C1CCC(NC2CCCCC2)CC1,-0.38
CHEMBL1783734,CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl,1.39
CHEMBL48190,COC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,1.54
CHEMBL130873,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(C(=O)NCCc3ccccc3)cc12,2.51
CHEMBL1087268,Cc1cnc(Nc2cc(N3CCN(C)CC3)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1,2.9
CHEMBL339059,NC(=O)c1ccc(Br)cc1,1.75
CHEMBL74355,COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,1.7
CHEMBL1472545,Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1,3.2
CHEMBL465305,CC(=O)c1ccc(N2CCN(S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)CC2)nc1,2.21
CHEMBL1213082,Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)nc2cccc(C)c2c1=O,2.6
CHEMBL389791,C[C@@H](O)[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12,2.83
CHEMBL1773959,O=C(O)CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1,-1.27
CHEMBL233238,O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NC(CO)CO,2.61
CHEMBL327502,COc1ccc(-n2sc3ccccc3c2=O)cc1,3.02
CHEMBL1477550,O=C(Nc1ccccc1)c1cc2ccccc2o1,3.44
CHEMBL218677,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1,3.1
CHEMBL206956,NC(=O)c1cc2ccccc2nc1N,1.07
CHEMBL1951072,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC2C)cc1NC(C)=O,1.95
CHEMBL402011,C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12)C(=O)N(C)C,2.89
CHEMBL217090,Clc1ccc2c(c1Nc1ncnc3cc(OCCCN4CCCC4)cc(OC4CCOCC4)c13)OCO2,2.3
CHEMBL235789,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CCNCC2)ccc1Cl,1.84
CHEMBL1580660,O=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Cl)ccc1Cl,2.11
CHEMBL153370,CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N,0.08
CHEMBL186791,Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccncc2)cc1,3.2
CHEMBL1927251,Nc1n[nH]c2ncc3c(c12)CCCCCC3,2.54
CHEMBL2057336,Cc1ccc(-c2ccc(N)nn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.47
CHEMBL1779016,COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1,3.2
CHEMBL1184160,CC(O)C(C)OC(=O)[C@@H]1CC2c3cccc4c3c(cn4C(C)C)CC2N(C)C1,2.8
CHEMBL1917435,CNC(=O)c1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,-0.89
CHEMBL1077458,CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,2.91
CHEMBL1923430,Cc1ccc(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)[nH]1,2.64
CHEMBL1978713,COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,3.85
CHEMBL2062576,CC(=O)Nc1ccc2ccn(-c3cc(NCCCN4CCCC4)n4ncc(C#N)c4n3)c2c1,1.87
CHEMBL2335895,CC(=O)NC(C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.1
CHEMBL2325642,O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)cc1F,1.0
CHEMBL2062570,CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1,3.57
CHEMBL492234,COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)c(=O)sn3C)c1,2.6
CHEMBL472524,CCNC(=O)Nc1nc2cc(-c3cccnc3)ccc2[nH]1,2.34
CHEMBL1939739,O=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1,3.58
CHEMBL282625,N=C(N)c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1,2.2
CHEMBL554169,Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,1.02
CHEMBL642,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,-0.27
CHEMBL91485,COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1,-0.27
CHEMBL1212988,Cc1cc(C)c2c(N)c(C(=O)NC3CC3)sc2n1,2.53
CHEMBL509,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,2.33
CHEMBL1762482,Cc1ccnc(NCc2ccccc2)c1,3.08
CHEMBL440765,CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,0.99
CHEMBL2087853,CC(C)n1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,4.02
CHEMBL2164850,O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1,3.44
CHEMBL325713,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2C(=O)CCC2=O)c1=O)C(=O)C(F)(F)F,0.96
CHEMBL11336,COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,1.82
CHEMBL178737,O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2,1.79
CHEMBL111955,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F,1.77
CHEMBL1732699,FC(F)(F)c1nnc2ccc(N3CCCCC3)nn12,3.0
CHEMBL1957381,Cc1cc(-c2ccc(-c3nc4ccncc4c(O)c3C#N)cc2)ccn1,1.6
CHEMBL2325601,Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,2.65
CHEMBL380130,COc1ccc2c(c1)C(c1ccccc1)=NC(NC(=O)c1ccccc1OC)C(=O)N2,3.8
CHEMBL469007,Cn1c(=O)c2c(-c3oc(S(C)(=O)=O)cc3Cl)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.97
CHEMBL419742,FC(F)(F)c1cc(COCC(c2cccc(Cl)c2)N2CCNCC2)cc(C(F)(F)F)c1,4.2
CHEMBL1082983,CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,2.37
CHEMBL2331751,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O,2.3
CHEMBL234952,O=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1,3.4
CHEMBL2216859,CC(C)N1CCN(Cc2cnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)CC1,3.49
CHEMBL2023474,CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(F)ccc34)cc2OC)cn1,3.93
CHEMBL457887,Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)CCCN(C)C)cc3)n2)n1C(C)C,1.32
CHEMBL388336,Cc1cc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)oc1C,1.0
CHEMBL516784,NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CCCNC1,1.76
CHEMBL1090090,NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,1.6
CHEMBL361431,CCCN1CCC(Oc2nccc(Nc3cc(NC(=O)c4cccc(N5CCOCC5)c4)ccc3C)n2)CC1,2.6
CHEMBL1770477,CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4ncccc4[nH]3)c(C)c2c1,4.23
CHEMBL1535,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0.77
CHEMBL1778373,COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,1.36
CHEMBL2171015,O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1,2.14
CHEMBL489340,Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1,2.95
CHEMBL1366397,O=C(COc1ccccc1O)NC1CCCC1,2.31
CHEMBL1916084,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)cnn2-c2ccccc2)cc1,0.8
CHEMBL146855,Cc1cccc(C)c1OC[C@H](C)N,0.6
CHEMBL1917438,Cc1c(Sc2ccc(Cl)cc2)c2c(-c3ccccc3)cccc2n1CC(=O)O,2.61
CHEMBL51781,COC(=O)CCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O,2.72
CHEMBL217354,CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O,3.44
CHEMBL1934414,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCC2)cc1,2.0
CHEMBL521248,COc1cc2ncc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1OC,3.16
CHEMBL510436,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)c(F)c3)n2)n1C(C)C,2.74
CHEMBL2335884,c1cc(-c2ccc3nc(Nc4ccc(OCCN5CCCC5)cc4)ncc3c2)ccn1,2.66
CHEMBL25539,CCC(CO)NCCNC(CC)CO,-1.42
CHEMBL595122,CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2C(=O)CCC2=O)cc1,2.0
CHEMBL1669160,CC(C)COc1cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)ccc1NC(=O)CN1CCOCC1,3.8
CHEMBL1706173,COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C,2.87
CHEMBL1682814,CC(=O)N1CCOc2nc(OCc3ccccc3)ccc21,2.4
CHEMBL192666,O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)cc1,2.9
CHEMBL1916537,COc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CC2,0.66
CHEMBL327027,c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1,3.8
CHEMBL1683033,CCOc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1N1CCN(C)CC1,1.99
CHEMBL2171045,O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.94
CHEMBL2171993,COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)cc1OC,1.4
CHEMBL2070121,COc1cnc(-c2ccccn2)nc1N1CCOCC1,1.52
CHEMBL588,Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,0.87
CHEMBL1173055,CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,1.17
CHEMBL2331743,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(C(N)=O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,1.96
CHEMBL279261,OC1(c2ccc(-c3ccccc3)cc2)CN2CCC1CC2,1.5
CHEMBL2325701,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3cc[nH]c23)n1,2.8
CHEMBL2023704,COc1ccc(-c2ccnc(N)n2)cc1,2.08
CHEMBL2179290,Cc1cn(C2CCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)c(=O)[nH]c1=O,3.38
CHEMBL2171020,O=C(c1c[nH]c(=O)c2ccccc12)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,3.51
CHEMBL1535688,Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1,-0.84
CHEMBL1609717,O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1ccc(F)cc1,3.1
CHEMBL1346,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,2.79
CHEMBL1889452,CC1C(=O)Nc2ccccc2N1C(=O)c1ccccc1,2.11
CHEMBL1951164,COc1cc(OC)c(S(=O)(=O)N(C)c2ccccc2)cc1NC(C)=O,1.1
CHEMBL1683446,C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1,3.27
CHEMBL1829174,Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1,2.3
CHEMBL1813048,CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C,4.4
CHEMBL1916533,COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1,1.78
CHEMBL2086691,C[C@@H]1CN(c2noc(C3CC3)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.1
CHEMBL203370,O=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1,1.6
CHEMBL1223458,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12,2.29
CHEMBL1194666,CCN(CC)C(C)C(=O)c1ccccc1,1.18
CHEMBL2335912,CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)cc(C)c3n2)cc1,3.46
CHEMBL72683,c1ccc(-c2nc3ccccc3[nH]2)nc1,2.5
CHEMBL178835,CC(C)[C@H](NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C,1.91
CHEMBL1549615,COc1cc2cc(-c3ccc(O)cc3O)nc(C)c2cc1OC,3.9
CHEMBL1994944,Cn1ncc2c(=O)[nH]c(-c3ccccc3)nc21,1.61
CHEMBL1783285,COc1cc(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)nn1,2.75
CHEMBL2031168,CN1CCNc2nc(CCOc3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)O)cc3)ccc21,0.07
CHEMBL17860,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,0.48
CHEMBL2022881,COc1ccc(-c2cc(O)nc(N)n2)cc1,1.52
CHEMBL1078979,c1ccc(-c2n[nH]c(-c3ccncc3)n2)nc1,1.48
CHEMBL1526762,Cc1cc(C)nc(SCC(N)=O)n1,0.23
CHEMBL274056,O=C1C=CC(=O)c2c(O)ccc(O)c21,1.91
CHEMBL2180019,CC1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N,1.7
CHEMBL139088,Fc1cccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)c1,3.2
CHEMBL456446,c1ccc(CNc2nc3ccccc3[nH]2)cc1,2.76
CHEMBL641,CNCC[C@@H](Oc1ccccc1C)c1ccccc1,1.2
CHEMBL2086681,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccncc3S(C)(=O)=O)cn2)CC1,2.4
CHEMBL1223528,Cc1cc2n[nH]c(=O)n2c2cc(-c3cn[nH]c3)ccc12,2.13
CHEMBL2062556,N#Cc1cnn2c(N)cc(-c3ccccc3)nc12,2.48
CHEMBL625,c1ccc2[nH]c(-c3cscn3)nc2c1,2.35
CHEMBL1349,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21,-1.3
CHEMBL1778641,CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)cc1,-0.78
CHEMBL1917418,Cc1ccc2c(c1)c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O,2.18
CHEMBL2031158,O=C(N[C@@H](Cc1ccc(CCCCNc2ccccn2)cc1)C(=O)O)c1c(Cl)cccc1Cl,0.51
CHEMBL1532611,Nc1ccc(OCCc2ccccc2)cc1,2.71
CHEMBL113690,CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21,2.39
CHEMBL1957366,N#Cc1c(-c2ccc(-c3ccccc3OC(F)(F)F)cc2)nc2ccncc2c1O,3.45
CHEMBL2036748,CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.98
CHEMBL1779006,COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1,1.71
CHEMBL207881,O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1,2.1
CHEMBL455429,Cc1ncc(-c2nc(Nc3ccc(C(N)=O)c(F)c3)ncc2F)n1C(C)C,3.14
CHEMBL171951,CCCS(=O)(=O)N1N=Cc2cc(Cl)ccc2B1O,-0.4
CHEMBL7728,CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O,1.5
CHEMBL1917444,COc1ccc(Sc2c(C)n(CC(=O)O)c3ccc(C)cc23)cc1,1.01
CHEMBL257553,NS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,2.97
CHEMBL226780,CC(C)(C)NC(=O)Nc1cccc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1,1.77
CHEMBL559968,O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl,1.29
CHEMBL1475400,Oc1cc(OCc2ccccc2)ccn1,1.69
CHEMBL1257578,Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1,2.44
CHEMBL278222,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccncc2)c1=O)C(=O)C(F)(F)F,2.16
CHEMBL518760,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCCCC1,2.52
CHEMBL2206523,CN1Cc2ccccc2C(c2ccc(Cl)cc2)C1,3.64
CHEMBL2010838,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)cn2)CC1,1.9
CHEMBL2030560,Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,2.29
CHEMBL2207217,O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br)c1cccs1,4.13
CHEMBL475387,CNC1=Nc2ncccc2C(c2ccns2)=NC1c1cccs1,2.15
CHEMBL1288009,COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1,1.82
CHEMBL2031169,O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCO3)cc1)C(=O)O)c1c(Cl)cccc1Cl,-0.18
CHEMBL1596993,COc1ccc(Nc2ccccc2C(=O)O)cc1,1.2
CHEMBL1078411,N#C[C@@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@@H]1c1ccccc1,1.3
CHEMBL2087862,C=CCn1c(=O)c2c(-c3cc(C#N)cn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,4.27
CHEMBL314437,CCC1(c2cccc(O)c2)CCCCN(C)C1,0.8
CHEMBL178457,Cc1c(-c2ccc3c(c2)OCO3)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,2.67
CHEMBL1573309,CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21,2.7
CHEMBL73243,COCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,3.41
CHEMBL1454839,c1ccc2sc(C3CCCNC3)nc2c1,1.0
CHEMBL397162,CC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1,1.59
CHEMBL42,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,3.08
CHEMBL117869,COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1,0.66
CHEMBL1834184,CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1,3.4
CHEMBL100675,Cc1ccc(Cl)c(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)c1,2.16
CHEMBL1916546,COc1cc2c(ccc(=O)n2CCN2CCC(NCc3cc4c(cn3)OCCO4)CC2)cn1,0.68
CHEMBL1241590,CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1,0.44
CHEMBL254192,Cc1ccc(C(=O)N(CCCN)Cc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1,1.47
CHEMBL1950721,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CCCCC1,1.49
CHEMBL1333961,Nc1[nH]nc2cccc(Cl)c12,1.92
CHEMBL2207661,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C1CC1,3.15
CHEMBL2171992,COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)CC2)cc1,1.74
CHEMBL101119,CN(C)CC(O)COc1ccc(Nc2cc(N(CC#N)c3cc(Cl)ccc3Cl)ncn2)cc1,2.1
CHEMBL1631095,NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c2)n1,3.4
CHEMBL225363,CN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccc(N5CCOCC5)cc4)[nH]c23)CC1,2.7
CHEMBL322318,O=S(=O)(CCCOCCc1nccc2ccccc12)CCNCCc1ccc(O)c2nc(O)sc12,2.35
CHEMBL237891,Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O,2.1
CHEMBL213294,COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1,2.94
CHEMBL334167,Cn1sc(=O)c2cc(S(N)(=O)=O)ccc21,0.3
CHEMBL190677,O=C(c1ccccc1)C(O)c1ccccc1,2.13
CHEMBL152676,Cn1cc(C(=O)CCCCOc2ccc(C(=O)O)cc2)cc1C=O,0.14
CHEMBL1940306,CS(=O)(=O)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,1.51
CHEMBL968,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,2.38
CHEMBL2219422,Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl,2.99
CHEMBL1682949,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2cccs2)nc2ccccc12)c1ccccc1,3.56
CHEMBL1089224,CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1,3.76
CHEMBL2086693,C[C@@H]1CN(c2noc(C(F)(F)F)n2)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.95
CHEMBL320882,CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1,3.38
CHEMBL178397,Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,3.8
CHEMBL1852688,CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1,3.7
CHEMBL1169388,CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,1.89
CHEMBL107367,Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1,3.5
CHEMBL2010836,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,3.0
CHEMBL12315,c1ccc2cnccc2c1,1.6
CHEMBL139557,CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2cccnc2)cc1)C(F)(F)F,2.08
CHEMBL1824044,COc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.87
CHEMBL319118,COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,2.9
CHEMBL2036732,O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2cccc(OCc3cccnc3)c2)o1,3.3
CHEMBL244522,CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)cc1,4.3
CHEMBL2171041,CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.74
CHEMBL2165058,CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@@H]1NCc1cc2c(cn1)OCCO2,1.05
CHEMBL682,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,2.9
CHEMBL429,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,1.06
CHEMBL2048869,CCOc1cccc(/C=C2\SC(=O)NC2=O)c1N1CCC[C@@H](N)C1,1.86
CHEMBL51880,Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O,2.39
CHEMBL15706,COc1cccc2c(O)cc(-c3ccccc3)nc12,2.3
CHEMBL165790,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1,4.07
CHEMBL1631466,Nc1c2c(nc3c(-c4ncccn4)cccc13)CN(C1CCC1)C2=O,1.85
CHEMBL1624560,COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC,2.36
CHEMBL2208422,N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,3.42
CHEMBL1548889,Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1,1.97
CHEMBL1645105,COc1ccc(-c2ccc3nc(N)sc3c2)cn1,3.2
CHEMBL2062582,CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCO,2.71
CHEMBL102726,c1ccc(CNc2ncnc3ccccc23)cc1,3.21
CHEMBL1716201,Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1,4.15
CHEMBL115022,CC(=O)Nc1ccc2nc(-c3cccc(F)c3)cc(O)c2c1,2.41
CHEMBL403813,N#Cc1cc(CN2CCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1,1.22
CHEMBL2011923,CNc1c(C(N)=O)cnc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc12,2.14
CHEMBL605785,COC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1,2.98
CHEMBL126857,CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(Cl)c(Cl)c2)cc1,2.4
CHEMBL897,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,0.03
CHEMBL435859,OB1c2ccccc2N=C(S)N1c1cccnc1,-0.62
CHEMBL1783280,CCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N,2.83
CHEMBL266922,CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](C(N)=O)[C@@H](O)[C@H]3O)c2n1,2.05
CHEMBL13485,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C,2.75
CHEMBL2179279,CCC(C)(C)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,1.37
CHEMBL1945031,Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12,1.13
CHEMBL2153176,CCCSc1ncccc1C(=O)NC1CCC(F)(F)CC1,2.85
CHEMBL85,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,2.05
CHEMBL1698358,Nc1ccc2c(c1)C(=O)c1ccccc1-2,2.9
CHEMBL1427458,Cc1ccc(Oc2ccc(C(=O)NCc3ccncc3)cc2)cc1,3.65
CHEMBL2207666,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12,3.42
CHEMBL73151,CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,2.73
CHEMBL2086678,COc1cnccc1COc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1,3.8
CHEMBL218712,CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccsc2[nH]1,3.1
CHEMBL1566172,Nc1nnc(Cc2ccc(Cl)cc2)s1,2.34
CHEMBL1088030,Cc1cnc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)s1,2.68
CHEMBL1951074,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=S)NCC(=O)O,-1.04
CHEMBL1643195,Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC(=O)O,2.19
CHEMBL1672434,C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)CN1C#N,2.13
CHEMBL218762,O=c1[nH]c(S)nc2[nH]cnc12,-1.48
CHEMBL147405,CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C#N)c3)c(F)c2)C(=O)O1,1.6
CHEMBL113725,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)Cc2ccc(C(=O)O)cc2)c1=O)C(=O)C(F)(F)F,0.35
CHEMBL591931,N=C(N)c1cc2c(-c3ccccc3)cccc2s1,1.27
CHEMBL1513,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.29
CHEMBL244936,Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,3.3
CHEMBL2030442,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1,1.7
CHEMBL2012861,Nc1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12,2.3
CHEMBL1201295,Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,3.57
CHEMBL2139925,CCc1nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cn2c1N(C)Cc1cccs1,4.1
CHEMBL2021706,CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)CCCc1ccc(OC)cc1,0.4
CHEMBL127066,Oc1nc(-c2ccccc2)nc2ccccc12,2.46
CHEMBL2087620,Cn1cncc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,2.69
CHEMBL2151326,COc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c2ccc(F)cn2)n[nH]1,2.18
CHEMBL144960,O=c1ccoc2cc(OCc3ccccc3)ccc12,3.33
CHEMBL1393651,CCN(C(=O)Nc1ccccc1)c1ccccc1,3.1
CHEMBL1650698,C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1,2.47
CHEMBL637,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,0.99
CHEMBL1289545,Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1,2.17
CHEMBL1807817,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSCCCOCCc3ccccc3)c2s1,2.54
CHEMBL2165067,COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@@H](F)C3)c2c1,0.83
CHEMBL2179271,CC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,0.22
CHEMBL1327979,Nc1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1,2.01
CHEMBL1043,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,0.88
CHEMBL2030807,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)n1,-0.15
CHEMBL2042442,O=c1cc(-c2ccco2)[nH]c2ccccc12,2.21
CHEMBL2326472,Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1,1.06
CHEMBL888,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,-1.5
CHEMBL1807815,Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.79
CHEMBL1933596,C[C@H]1O[C@@H](n2cnc3c(N)nc(OCC4CCC(F)(F)CC4)nc32)[C@H](O)[C@@H]1O,1.72
CHEMBL459219,CSc1nc(C(N)=O)c(N)s1,1.21
CHEMBL1351571,Nc1ccc(OCc2ccccc2)cc1,2.2
CHEMBL1467518,OC(c1ccccc1)c1cccnc1,1.72
CHEMBL1199987,Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nc2ccccc2o1,4.0
CHEMBL301265,CCCN[C@H]1CCc2nc(N)sc2C1,3.15
CHEMBL29838,O=C(COc1ccc(SCCCCCc2ccccc2)cc1)COc1ccc(C(=O)O)cc1,3.63
CHEMBL1682824,O=C1CCOc2nc(/C=C/c3ccccc3)ccc21,3.2
CHEMBL2011918,CNc1c(Br)cnc2[nH]c(-c3ccc(OCCN4CCN(C)CC4)cc3)nc12,2.91
CHEMBL495841,N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N)n3)cc2)cc1,2.2
CHEMBL1221510,CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC3)c(Cc3ccccc3C(F)(F)F)sc21,3.0
CHEMBL481596,CN1CCN(c2cc3c(Nc4ccc(F)cc4F)c(C(N)=O)cnc3cc2F)CC1,2.63
CHEMBL1224286,CNC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.93
CHEMBL341087,CC1CN(C(=O)c2cc3ccccc3[nH]2)CCN1,0.94
CHEMBL2207662,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F,2.71
CHEMBL570002,Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1,1.96
CHEMBL564,CN(C)CCCN1c2ccccc2Sc2ccccc21,2.56
CHEMBL193233,COc1ccc(-c2ccccc2)cc1N1CC(=O)NS1(=O)=O,-1.01
CHEMBL244184,Cc1cnc(Oc2ccc(-n3ccnc3)cc2)nc1Oc1ccc2c(c1)OCO2,3.56
CHEMBL404057,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nccnc12,3.15
CHEMBL148313,Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1,2.82
CHEMBL196444,O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,1.0
CHEMBL1809229,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(F)cc(F)cn23)n1,3.2
CHEMBL1762533,COc1ccnc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,2.23
CHEMBL22,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0.63
CHEMBL2325731,CN(C)C(=O)CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.4
CHEMBL12132,CC(=O)Nc1ccccn1,0.5
CHEMBL1896037,O=C(c1ccccc1)C(O)(CN1CCCCC1)c1ccccc1,3.41
CHEMBL2097971,COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1,3.9
CHEMBL2349318,CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(C#N)c2)nc2[nH]c(=O)sc12,3.7
CHEMBL1689110,O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1,0.4
CHEMBL1475,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,3.47
CHEMBL94191,COc1cc2ncnc(Nc3ccccc3)c2cc1OC,3.04
CHEMBL1405,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,3.4
CHEMBL2207655,CC1(O)CN(S(=O)(=O)c2ccc3c(C(=O)NC[C@@H](O)CN4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)c[nH]c(=O)c3c2)C1,2.54
CHEMBL70972,CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,2.48
CHEMBL8663,C#CCN(C)C(C)Cc1ccccc1,2.16
CHEMBL570,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,3.59
CHEMBL1373079,COc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1,2.71
CHEMBL2089277,N#Cc1cccc(-c2cccc(C(=O)O)c2)c1,0.3
CHEMBL1778645,CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)O)c(C)c1,-0.65
CHEMBL1233,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,2.01
CHEMBL1682965,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(Br)ccc12)c1ccccc1,3.18
CHEMBL2171037,CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,1.7
CHEMBL187673,Oc1ccc(-c2nc3ccc(O)cc3o2)cc1,3.3
CHEMBL1618018,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,-1.29
CHEMBL1957850,Cc1ccccc1Cn1ccn2c(=O)cc(N3CCOCC3)nc12,2.3
CHEMBL1689109,O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1,0.49
CHEMBL244213,O=C(c1ccc(F)cc1)C(O)c1ccc(F)cc1,2.49
CHEMBL472455,COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1,3.09
CHEMBL182150,CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc12,3.13
CHEMBL2059909,CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1,1.41
CHEMBL728,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,3.92
CHEMBL2323239,O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ncc(-c2ccccc2)s1,3.95
CHEMBL528724,Cc1cc2nc(NC(=N)N)nc(C)c2cc1C,0.7
CHEMBL321467,O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCc1cccc(C(F)(F)F)c1,2.62
CHEMBL513412,COc1ccc(N(C(=O)c2occc2C)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,2.04
CHEMBL445565,Oc1c2ncc3ccccc3c2nn1-c1ccc(Cl)cc1,1.52
CHEMBL2321998,Clc1ccc(C2CC=CCNC2)cc1Cl,1.86
CHEMBL101892,NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12,-0.87
CHEMBL2018954,COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C,1.68
CHEMBL460087,CN[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)C1,1.22
CHEMBL1955881,N#Cc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nc2ccncc2c1O,3.3
CHEMBL174107,CSc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1,-0.84
CHEMBL505610,C(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccncn1,3.4
CHEMBL1775161,O=C(O)c1cn(Cc2ccccc2)c2ccccc12,1.19
CHEMBL256711,Nc1ccccc1NC(=O)c1ccc(-c2nccs2)cc1,2.3
CHEMBL2312185,CNc1nc(C)c(-c2nc(Nc3cccc(N4CCCNCC4)c3)ncc2C#N)s1,1.64
CHEMBL1762547,CCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C,3.8
CHEMBL471579,CC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N,2.04
CHEMBL268313,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,3.3
CHEMBL1499868,CC(c1ccccc1)C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,4.48
CHEMBL595,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,2.8
CHEMBL510349,O=c1oc2ccccc2cc1-c1ccccc1,3.22
CHEMBL234951,O=C(NC1Cc2ccccc2N(C[C@@H](O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.37
CHEMBL235392,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2CC3CNCC(C2)O3)ccc1Cl,1.55
CHEMBL1330968,Cc1occc(=O)c1OCc1ccccc1,1.87
CHEMBL376813,COc1cc(N2CC[C@@H](N(C)C)C2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,2.7
CHEMBL317462,OC1(C#Cc2ccc(-c3ccccc3)cc2)CN2CCC1CC2,3.14
CHEMBL325486,CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21,3.4
CHEMBL1950730,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CCCCC1,1.32
CHEMBL1650697,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2F)n[nH]1,1.79
CHEMBL490512,O=C(CCc1ccccc1)c1ccccc1,3.77
CHEMBL1184126,O=c1[nH]n(C(c2ccccn2)C2CCCC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12,1.9
CHEMBL2030815,O=C(N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(=O)O)c1c(Cl)cccc1Cl,-0.22
CHEMBL1201373,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,1.07
CHEMBL1938680,O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1,2.4
CHEMBL2364611,Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1,1.71
CHEMBL70824,CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,2.16
CHEMBL1200374,C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,2.98
CHEMBL404422,CCCCC1(CC)C(=O)NC(=O)NC1=O,1.5
CHEMBL1917443,Cc1ccc2c(c1)c(Sc1ccc(S(C)(=O)=O)cc1)c(C)n2CC(=O)O,-0.08
CHEMBL1800472,CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1,1.21
CHEMBL560219,O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2c(=O)n(CCO)ccc12,3.36
CHEMBL1967560,CCN1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1,2.75
CHEMBL482000,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OC,3.22
CHEMBL1809059,COc1cc(N2CC3CN(CCO)CC(C2)O3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,2.5
CHEMBL1351893,CCCc1c(C(=O)Nc2ccc(F)cc2C)cnn1-c1ccccc1,3.89
CHEMBL404609,NC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O,2.42
CHEMBL257269,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12,3.36
CHEMBL2335879,CN1CCCC1CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,2.01
CHEMBL1080786,N#C[C@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@H]1c1ccccc1,1.5
CHEMBL1689137,C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1S(=O)(=O)Cc1ccccc1,1.12
CHEMBL267144,CC(C)[C@H]1C(=O)N[C@H](CO)Cc2ccccc2N1C,2.03
CHEMBL2023265,O=C(O)CSCC(=O)Nc1nc(-c2ccc(F)cc2)cs1,-0.2
CHEMBL1209586,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1cccc(C(F)(F)F)c1,3.12
CHEMBL622,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,0.49
CHEMBL264666,c1nc(N2CCCCC2)c2nc[nH]c2n1,1.84
CHEMBL2177601,Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1,0.8
CHEMBL2207670,CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)c[nH]c(=O)c2c1,1.41
CHEMBL2335901,C[C@@H](NC(=O)C1CCNCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,0.4
CHEMBL1631468,CCCNC(=O)c1nnc2c(-c3ncccn3)cccc2c1N,1.86
CHEMBL214798,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C)CC1,2.72
CHEMBL176219,N#Cc1cccc(-c2ccc(C3(CNC(=O)Nc4cc(Cl)cc(Cl)c4)CCN(CC4CC4)CC3)cc2)c1,3.37
CHEMBL2087844,Cn1ncnc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.8
CHEMBL2178284,CCc1cc(O)c(Oc2ccc(C(N)=O)cc2F)cc1F,2.87
CHEMBL2334381,CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2Cc3ccccc3C2)c1,3.3
CHEMBL1617016,Nc1c2c(nc3ccc(Br)cc13)N(c1ccccc1)CC2,3.12
CHEMBL1600648,Cc1nc2ncnn2c(O)c1CCOC(=O)c1c(F)cccc1F,0.16
CHEMBL1916272,CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,1.35
CHEMBL1079588,CCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1,2.97
CHEMBL469008,Cc1oc(S(C)(=O)=O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12,3.2
CHEMBL1762545,COc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1,3.9
CHEMBL2152917,CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC(C)C)cc1C21N=C(C)C(N)=N1,3.4
CHEMBL1809057,COc1cc(C(CO)CO)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.1
CHEMBL2208430,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12,3.91
CHEMBL513370,COc1ccc(N(C(=O)c2ccoc2Cl)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,2.36
CHEMBL1915315,O=c1oc2cc(O)ccc2cc1-c1ccc(O)cc1,2.9
CHEMBL2171044,N#Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.81
CHEMBL598194,NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.88
CHEMBL1962616,N=C(N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N,-0.51
CHEMBL183492,C=CCN(C(=O)Nc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.6
CHEMBL179858,CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.5
CHEMBL1824371,O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccc(F)c1,3.15
CHEMBL57759,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C,3.26
CHEMBL470916,N#Cc1nc(N2CCCC2)c(N)c(N2CCOCC2)n1,2.25
CHEMBL1311211,N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ccccc2)CC1,2.3
CHEMBL1559397,O=C(O)c1cc(-c2ccncc2)nc2ccc(F)cc12,-0.8
CHEMBL478240,CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1,3.0
CHEMBL2036754,O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1,2.54
CHEMBL503605,O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1,1.65
CHEMBL507177,NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N1CCOCC1,2.24
CHEMBL260488,CCOC(=O)c1cc(O)c(-c2ccccc2)nn1,0.69
CHEMBL2010853,CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F,2.2
CHEMBL1779012,COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1,2.5
CHEMBL1917423,Cc1c(Sc2ccc(Cl)cc2)c2cccc(Cl)c2n1CC(=O)O,2.0
CHEMBL1313395,Cc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C,3.66
CHEMBL471584,N#Cc1nc(NC2CCCCC2)c(N)c(N2CCOCC2)n1,2.81
CHEMBL1536083,CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1,4.03
CHEMBL3545252,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O.O.O,3.4
CHEMBL1951916,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(C)cc(C)c2)C2CCN(S(C)(=O)=O)CC2)CC1,1.93
CHEMBL669,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,2.83
CHEMBL452861,CC(C)NC[C@H](O)COc1cccc2ccccc12,0.99
CHEMBL1995703,Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,2.84
CHEMBL2062559,N#Cc1cnn2c(NC3CC3)cc(-c3cccs3)nc12,2.88
CHEMBL289330,CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc(OC)c1OC,1.2
CHEMBL268362,COc1ccccc1CNC(=O)c1ccc2cnccc2n1,1.8
CHEMBL1094250,Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O,3.48
CHEMBL1917448,COc1cccc(S(=O)(=O)c2c(C)n(CC(=O)O)c3ccc(C)cc23)c1,-0.42
CHEMBL528217,c1ccc(-c2cc(NCCCCCCCCNc3cc(-c4ccccc4)nc4ccccc34)c3ccccc3n2)cc1,2.27
CHEMBL272282,Cn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21,1.63
CHEMBL314034,CSc1nc(-c2ccccc2)nn1Cc1ccccc1,3.83
CHEMBL1064,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,3.7
CHEMBL1415894,c1ccc(Nc2cc(Nc3ccccc3)[nH]n2)cc1,3.8
CHEMBL2207657,Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1,3.0
CHEMBL2325726,CNC(=O)c1cc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c2c1,1.7
CHEMBL2325702,Cn1ccc2c(-c3nc(CS(C)(=O)=O)cc(N4CCOCC4)n3)cccc21,2.0
CHEMBL1957377,N#Cc1c(-c2ccc(-c3ccccc3CN3CCOCC3)cc2)nc2ccncc2c1O,2.0
CHEMBL1904754,Cc1nc2ncnn2c(O)c1CCOC(=O)c1ccccc1F,0.99
CHEMBL1224285,NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cn1,1.51
CHEMBL1972934,Nc1ncnc2sccc12,1.19
CHEMBL1515,Cn1cc[nH]c1=S,-0.42
CHEMBL366975,NC(=O)C1CCCCC1,0.9
CHEMBL1721885,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1,2.22
CHEMBL1523918,O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1,1.14
CHEMBL193646,c1ccc(CNCCNCc2ccccc2)cc1,0.73
CHEMBL1096,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,1.1
CHEMBL1775179,CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1,3.0
CHEMBL480445,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1,2.18
CHEMBL507722,Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3)ncc2F)n1C(C)C,2.13
CHEMBL2165054,CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@H]1NCc1cc2c(cn1)OCCO2,0.63
CHEMBL1164070,Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1,3.4
CHEMBL1442709,O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccccc1,3.29
CHEMBL226905,CC(c1ccsc1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O,0.9
CHEMBL399539,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12,3.77
CHEMBL259084,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,2.58
CHEMBL2036778,CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.6
CHEMBL2312113,COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1,4.3
CHEMBL451570,Nc1nccc(-c2cc3c([nH]2)[C@H](CCF)CNC3=O)n1,0.51
CHEMBL779,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O,2.6
CHEMBL1004,CN(C)CCOC(C)(c1ccccc1)c1ccccn1,-0.2
CHEMBL1387125,CCn1c(=O)c2c(=O)cc(O)oc2c2ccccc21,1.13
CHEMBL114868,CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)c1,2.43
CHEMBL2158781,Cc1cc(F)ccc1OC1CCN(CC2CCN([C@@H](Cc3ccc(F)cc3)C(=O)O)CC2)CC1,1.81
CHEMBL1890574,O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1,1.33
CHEMBL1689136,C[C@H]1CN(Cc2cc(Cl)ccc2CCC(=O)O)CCN1C(=O)Cc1ccccc1,1.52
CHEMBL185315,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC2CCN(C)CC2)n1,1.8
CHEMBL2110579,CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1,2.1
CHEMBL2078762,N#Cc1ccc(-c2cc(NC(N)=O)c(C(=O)N[C@H]3CCCNC3)s2)cc1,0.61
CHEMBL1917431,Cc1c(Sc2ccc(Cl)cc2)c2cc(S(C)(=O)=O)ccc2n1CC(=O)O,0.54
CHEMBL2336329,CNCc1cccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)c1,1.26
CHEMBL450643,c1cnc2cccnc2c1,0.89
CHEMBL2036594,COc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)c1,2.8
CHEMBL1900501,O=C(Cc1ccccc1)c1ccc(O)cc1O,3.09
CHEMBL2140153,O=c1oc(-c2ccccc2)cc2ccccc12,3.84
CHEMBL418841,CC(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O,1.78
CHEMBL2325985,NC1(C(=O)NC(Cc2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,4.1
CHEMBL12980,O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1,1.19
CHEMBL2207606,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)/C=C/C(=O)O,-0.71
CHEMBL1502,COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,2.0
CHEMBL2326481,CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1,1.72
CHEMBL256322,CCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)s1,0.95
CHEMBL1779018,CCCC(=O)NCc1cncc(-c2ccc(F)cc2OC)c1,2.9
CHEMBL1300982,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC,2.8
CHEMBL84,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,0.31
CHEMBL2171989,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1,1.79
CHEMBL1608462,Cc1cc(C)c(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(O)n1,3.8
CHEMBL569,CCN(CC)CCOC(=O)c1ccc(N)cc1,0.0
CHEMBL394799,C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2)nc2nc(N)sc12,3.31
CHEMBL2158833,O=C(O)c1ccc(CN2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,1.1
CHEMBL1209656,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccc(F)c(F)c1,2.84
CHEMBL1269107,CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O,2.73
CHEMBL2321993,OCC[C@]1(c2cc3ccccc3o2)CCCNC1,0.12
CHEMBL2023475,CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1,3.88
CHEMBL522460,Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,2.68
CHEMBL578288,N#CN=C(N)c1sc(Nc2ccccc2)nc1N,2.91
CHEMBL444884,NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N,3.3
CHEMBL204476,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3cccc4ncccc34)sc21,1.98
CHEMBL2322001,C1=CCC(c2ccc3ccccc3c2)CNC1,1.64
CHEMBL1774099,COc1ccccc1N1CCN(Cc2c(Br)c(=O)n(-c3ccccc3)n2C)CC1,2.5
CHEMBL20403,COC1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,3.52
CHEMBL1682820,O=C1CCOc2cc(COc3ccccc3)ccc21,3.0
CHEMBL606052,N#Cc1ccc2c(c1)NC(=O)C2c1ncnc2cc(OCCCN3CCOCC3)ccc12,2.99
CHEMBL51314,CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,2.83
CHEMBL602745,CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1,4.0
CHEMBL349803,NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,-0.94
CHEMBL1956163,O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1[C@H]1CC[C@H](C(=O)Nc2cccc3cccnc23)CC1,3.94
CHEMBL1809049,COc1cc(OC2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,4.0
CHEMBL802,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],0.77
CHEMBL2164678,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1,3.0
CHEMBL1643349,CC1(C)C(=O)Nc2ccccc21,2.3
CHEMBL2070950,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc4ccncc4s3)CC2)CC1,1.6
CHEMBL126224,CN(C)CCCn1c2c(c3ccccc31)CCCCCC2,2.96
CHEMBL2177608,CC1(c2c(C(=O)NC3C4CC5CC(C4)CC3C5)cnn2-c2ccc(C(=O)O)cc2)CC1,1.11
CHEMBL2147569,C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccc(F)cc1C(N)=O,3.8
CHEMBL1951893,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3ccccc3)CC2)CC1,2.67
CHEMBL476578,CC(=O)N[C@@H]1CCN(c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1,3.3
CHEMBL1917454,Cc1c(Oc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O,1.26
CHEMBL1917433,Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O,0.21
CHEMBL1467,O=c1[nH]cnc2[nH]ncc12,-0.42
CHEMBL2165061,COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@H](OC)C3)c2c1,0.97
CHEMBL2062584,COC(=O)CCn1cc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)c2cc(NC(C)=O)ccc21,2.72
CHEMBL383760,CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC,3.65
CHEMBL1414985,O=C(Cc1ccccn1)c1ccc(Cl)cc1,2.96
CHEMBL1829250,CCC(c1nc2ccsc2c(=O)n1Cc1ccc(C)cc1)N(CCCN)C(=O)c1ccc(C)cc1,1.69
CHEMBL478828,COc1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1,3.43
CHEMBL407,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,1.1
CHEMBL1807860,C[C@H]1O[C@@H](n2cnc3c(N)nc(OCC4CC45CC5)nc32)[C@H](O)[C@H]1Cl,3.68
CHEMBL1782167,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)nc1,3.36
CHEMBL2178369,Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@@H](Cc3nnn[nH]3)CC2)nc1C(N)=O,2.0
CHEMBL2207599,COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1NC(=O)CCC(=O)O,-0.8
CHEMBL1645501,CC(=O)c1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1,1.41
CHEMBL2172005,COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)[C@H](C)C2)cc1OC,1.85
CHEMBL1164652,Cc1ncc(-c2ccnc(Nc3ccccc3)n2)n1C(C)C,3.58
CHEMBL384467,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1.87
CHEMBL288524,NC12CCC(c3ccccc3)(CC1)CC2,0.29
CHEMBL172714,Cc1ccc(S(=O)(=O)N2N=Cc3oc(C)cc3B2O)cc1,-0.28
CHEMBL1683030,CCOc1cc2nnc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1,2.63
CHEMBL2030440,CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccccc2)n1,1.94
CHEMBL320971,Cc1ncsc1CCOCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12,1.44
CHEMBL1503415,O=c1cc(O)oc2c1c(=O)n(-c1ccccc1)c1ccccc21,0.96
CHEMBL1934415,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCCCC2)cc1,1.97
CHEMBL110147,O=S(=O)(CCCNCCc1ccc(O)c2nc(O)sc12)NCCOCCSc1ccccc1,1.84
CHEMBL256668,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12,3.1
CHEMBL1682967,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccccc2)nc2cc(CN(C)C)ccc12)c1ccccc1,2.75
CHEMBL1231,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,3.65
CHEMBL2333941,C[C@@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1,0.8
CHEMBL2331753,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cccc(C(F)(F)F)c4)c3)C2)c(=O)[nH]c1=O,2.27
CHEMBL456801,C[C@H](Nc1nc(NC[C@@H](O)CO)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1,3.39
CHEMBL1917439,Cc1c(Sc2ccc(Cl)cc2)c2cc(-c3ccccc3)ccc2n1CC(=O)O,3.7
CHEMBL1789941,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,2.55
CHEMBL454616,Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(=O)c1ccc2ncccc2c1,2.8
CHEMBL2158772,Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.54
CHEMBL259850,COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,2.9
CHEMBL1950842,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C(C)(C)C,1.46
CHEMBL1934423,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOC2)cc1,0.78
CHEMBL2059374,CCNC(=O)c1cc2c(-n3nc(C(F)(F)F)cc3C)c(-c3cncc(C(=O)O)c3)cnc2[nH]1,-0.88
CHEMBL2332935,CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2,2.76
CHEMBL2010830,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,2.9
CHEMBL107955,CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1,1.67
CHEMBL1650729,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)n[nH]1,2.39
CHEMBL457393,C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1,3.14
CHEMBL319077,c1ccc(-c2ccc(C3CN4CCC3CC4)cc2)cc1,1.76
CHEMBL128134,CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1,1.95
CHEMBL158766,Cc1ccc(O)c(O)c1,1.37
CHEMBL222659,O=C(Nc1ccccn1)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc2c1,4.24
CHEMBL61946,CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1,2.3
CHEMBL445,CNCCC=C1c2ccccc2CCc2ccccc21,1.58
CHEMBL361795,N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1,2.2
CHEMBL17771,O=S1NC(Cc2ccc3ccccc3c2)=NO1,1.85
CHEMBL1650273,Nc1nc(-c2ccc(Cl)cc2)cs1,3.31
CHEMBL274009,Nc1ccccc1[N+](=O)[O-],-0.96
CHEMBL2321995,CN1CC=CCC(c2ccc(Cl)c(Cl)c2)C1,3.32
CHEMBL403296,CCCCC(O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1,2.59
CHEMBL41,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,1.92
CHEMBL131921,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,3.5
CHEMBL300663,CCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,2.67
CHEMBL191083,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,-0.88
CHEMBL140689,CCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21,2.7
CHEMBL204772,Cc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C,1.34
CHEMBL442591,COc1cc2ncc(C(N)=O)c(Nc3ccccc3F)c2cc1OC,2.81
CHEMBL342357,O=C1NC(=O)c2cc(OCc3ccccc3)ccc21,3.1
CHEMBL182731,COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1,4.0
CHEMBL1778372,COC[C@H](C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,-0.41
CHEMBL1389402,Cc1onc(CO)c1C(=O)Nc1nccs1,1.53
CHEMBL2036589,O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc(Nc2ccc(F)cc2)o1,3.0
CHEMBL251202,COc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,2.65
CHEMBL1835918,Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1,2.62
CHEMBL249584,OC[C@H]1C[C@@H](n2nnc3c(N[C@@H]4C[C@H]4c4ccccc4)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@@H]1O,4.06
CHEMBL258175,CC(C)N1CCN(Cc2cnc(-c3ccc(C(=O)Nc4ccccc4N)cc3)c(Cl)c2)CC1,1.68
CHEMBL1916086,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1,1.9
CHEMBL570135,Cc1cc(=O)[nH]c2sc(C(=O)c3ccc(Br)cc3)c(N)c12,2.57
CHEMBL1809060,COc1cc(N2CC3COCC(C2)N3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.0
CHEMBL2031562,Nc1cc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc(C(F)(F)F)c1,0.2
CHEMBL1702519,Cc1ccc(-c2nnc(O)c3ccccc23)c(C)c1,3.41
CHEMBL174310,N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cc1,0.86
CHEMBL135,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,3.72
CHEMBL1438047,Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)O,1.67
CHEMBL477567,Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)n1C(C)C,2.57
CHEMBL2088093,COCCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)n[nH]1,3.07
CHEMBL453862,Cc1ncc(-c2nc(Nc3ccc(C(=O)N(C)C)cc3)ncc2F)n1C(C)C,2.77
CHEMBL2178371,Cc1nc(C)c(-c2ccc(C34CCC(C(=O)O)(CC3)CC4)cc2)nc1C(N)=O,1.3
CHEMBL957,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,1.03
CHEMBL1950723,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(CCCc2ccccc2)C1)C1CCCCC1,1.9
CHEMBL1455292,CCCCN1Cc2c(nc3cc(-c4ccco4)nn3c2O)C1=O,0.8
CHEMBL2164670,COc1ccccc1C(C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1,3.57
CHEMBL576257,Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1,2.51
CHEMBL2325733,NC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.2
CHEMBL167226,CCCc1c(OCc2ccc(C(=O)O)c(Br)c2)ccc(C(C)=O)c1O,2.3
CHEMBL2325703,CC(C)(c1cc(N2CCOCC2)nc(-c2cccc3[nH]ccc23)n1)S(C)(=O)=O,2.65
CHEMBL223402,O=C(Nc1ccccc1F)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O,4.0
CHEMBL227148,COCCNC(=O)c1cccc(Cn2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1,1.2
CHEMBL262956,CC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F,1.38
CHEMBL14762,CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,3.63
CHEMBL593196,Cn1c(CN2CCC(c3ccccc3)CC2)nc2ccccc21,3.6
CHEMBL550436,C[C@H](CO)n1ccc2c(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cccc2c1=O,3.49
CHEMBL412083,CCNC(=O)c1ccc(CN2CCC(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1,2.24
CHEMBL300940,COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21,2.1
CHEMBL1527751,Oc1ncnc2scc(-c3ccsc3)c12,2.25
CHEMBL2070938,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nccs3)CC2)CC1,1.3
CHEMBL323443,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F,1.01
CHEMBL522505,C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,2.26
CHEMBL1689128,C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(Cl)cc1,1.21
CHEMBL2041980,CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)c2)cc1,2.4
CHEMBL1359240,O=c1c2ccccc2nc2n1CCS2(=O)=O,0.8
CHEMBL1916534,COc1ccc2c(c1)N(CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)C(=O)CO2,1.24
CHEMBL2151323,CC(C)Oc1cc(-n2cnc3cnc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1,2.41
CHEMBL2069324,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)CC1,3.5
CHEMBL457,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0.72
CHEMBL2171047,Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1,2.2
CHEMBL430507,CN(C)CC(O)COc1ccc(Nc2nccc(N(CC#N)c3cc(Cl)ccc3Cl)n2)cc1,2.4
CHEMBL1223459,Cc1cc2n[nH]c(=O)n2c2cc(-c3cccnc3)ccc12,2.72
CHEMBL276030,O=C1c2ccc(O)cc2C(=O)N1c1ccccc1,2.3
CHEMBL1917440,Cc1c(Sc2ccc(Cl)cc2)c2c(-c3cnccn3)cccc2n1CC(=O)O,0.03
CHEMBL2158770,N#Cc1cccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,2.26
CHEMBL99948,Cc1ccc(Cl)c(Nc2ccnc(Nc3ccc(OCC(O)CN(C)C)cc3)n2)c1,2.6
CHEMBL149324,N=C(N)Nc1ccc(C(=O)Oc2ccccc2)cc1,-0.21
CHEMBL370552,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1,2.98
CHEMBL488085,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N(C)C)cc3)n2)n1C(C)C,2.45
CHEMBL471412,COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1,3.86
CHEMBL571,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,-0.12
CHEMBL2335911,CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)c(C)cc3n2)cc1,3.45
CHEMBL168899,O=C1Nc2ccccc2B(O)N1c1ccccc1,1.4
CHEMBL631,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,1.72
CHEMBL1824035,CN(C)S(=O)(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,0.15
CHEMBL14323,COc1ccc(-c2cc(O)c3cc(Cl)ccc3n2)cc1,2.7
CHEMBL1831214,NC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O,2.43
CHEMBL1950732,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCCN(Cc2ccccc2)C1)C1CCCCC1,2.12
CHEMBL1916540,COc1ccc2c(C)cc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1,1.72
CHEMBL1083942,O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1,1.79
CHEMBL261237,N#C/C(=C(/N)Sc1ccc(N)cc1)c1ccccc1C(F)(F)F,3.3
CHEMBL575073,COc1ccccc1-c1coc2cc(O)ccc2c1=O,2.55
CHEMBL1323247,CCN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1,2.28
CHEMBL109244,O=C(NCCCCCCNCCc1ccc(O)c2nc(O)sc12)Nc1ccccc1,1.26
CHEMBL686,Cc1cccc(Nc2ccccc2C(=O)O)c1C,1.89
CHEMBL2164677,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1,2.77
CHEMBL2094588,O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1,2.62
CHEMBL428777,C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C,3.67
CHEMBL1946017,CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccc(F)cc3)CC2)c2cccnc2)cc1,3.65
CHEMBL13311,O=c1ccoc2ccccc12,1.4
CHEMBL1852508,Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@H](O)CN,0.57
CHEMBL214957,COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCCN1CCCC1,2.74
CHEMBL1077827,CCOc1ccc(-n2c([C@@H](C)N(CC3CCN(C)CC3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1,1.4
CHEMBL2086682,CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3c(F)cncc3F)cn2)CC1,3.7
CHEMBL1946026,O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCCC1,2.75
CHEMBL1522360,O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2,1.34
CHEMBL595134,N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13,3.22
CHEMBL2058533,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,3.24
CHEMBL558748,O=C(NCC1CCCCC1)c1c(Cl)ccc2ncccc12,2.65
CHEMBL1223954,NC(=O)c1cccc(S[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,2.22
CHEMBL71,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,3.37
CHEMBL2158841,O=C(O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.98
CHEMBL1939741,CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CCC3)c2)N2CCN(Cc3cccnc3)CC2)cc1,3.27
CHEMBL378094,Cc1ccc2c(-c3ccnc4cc(Cl)ccc34)c(C)n(CC(=O)O)c2c1,2.41
CHEMBL1502567,O=c1c2ccccc2nc2ccccn12,2.1
CHEMBL1947156,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(-c4cccc(CNCc5ccccc5)c4)c3)c2s1,2.32
CHEMBL182279,CCN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.9
CHEMBL232846,C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12,3.12
CHEMBL507700,NC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O,1.75
CHEMBL1369722,Oc1ncnc2scc(-c3ccccc3)c12,2.07
CHEMBL181913,CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,2.3
CHEMBL1923435,CONC(=O)c1cnc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)s1,3.1
CHEMBL4,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,-0.45
CHEMBL370492,CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)O)cc2)c1-c1ccccc1,3.0
CHEMBL128506,CN1CCN(C(=O)c2cc3ccccc3n2C)CC1,1.71
CHEMBL480,Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,2.7
CHEMBL1807824,CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1,0.86
CHEMBL336619,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl,4.05
CHEMBL1479580,CSc1ncccc1C(=O)NCC1CCCCC1,2.93
CHEMBL27577,NC(=O)c1ccccc1O,1.09
CHEMBL90531,O=[N+]([O-])c1ccc2c(c1)N(c1cccc[n+]1[O-])CC(C(F)F)(C(F)F)O2,3.2
CHEMBL1289682,Fc1ccc(C2CCN(C(=S)COCc3ccncc3)CC2)c(Cl)c1,4.23
CHEMBL453261,Cc1ccc(S(=O)(=O)c2ccccc2)cc1,2.74
CHEMBL499864,Cn1cnc(-c2ccccc2)c1C#Cc1ccnc(N)n1,2.94
CHEMBL456985,CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1,2.23
CHEMBL2164673,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CC=CCC1,0.9
CHEMBL2179270,Cc1cn([C@H]2CCCN([C@@H](C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,-0.26
CHEMBL540930,O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)NC(c1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1,3.12
CHEMBL1201203,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,1.49
CHEMBL11084,CC(C)C(NC(=O)Cn1c(-c2cccs2)ncc(N)c1=O)C(=O)C(F)(F)F,0.68
CHEMBL1773254,O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1,1.67
CHEMBL1289574,O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2)CC1,3.03
CHEMBL267744,O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,-0.84
CHEMBL192,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,2.8
CHEMBL2058280,Nc1scc2c(C(=O)NC3CC3)nn(-c3ccc(F)cc3)c(=O)c12,2.8
CHEMBL1614709,Cc1cc(Nc2ncc(F)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc1N1CCN(C)CC1,2.9
CHEMBL313907,O=S(=O)(Nc1nc(-c2ccccc2)nn1Cc1ccccc1)c1ccccc1,1.25
CHEMBL2335876,COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1C,2.78
CHEMBL1209739,COc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCCCCC2)cc1,3.13
CHEMBL810,Cn1nnc2c(C(N)=O)ncn2c1=O,-1.08
CHEMBL2088099,COCCCc1cc(Nc2ccnc(NCc3cc(C)no3)n2)n[nH]1,2.04
CHEMBL51697,CN1Cc2c(N)cccc2[C@H](c2ccccc2)C1,2.11
CHEMBL54976,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,-1.08
CHEMBL2088100,Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)[nH]n3)n2)on1,3.56
CHEMBL473967,CC1(C)Oc2ncnc(N)c2N=C1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1,1.32
CHEMBL384962,Cc1ccc2c(c1)c(-c1ccnc3ccc(C(F)(F)F)cc13)c(C)n2CC(=O)O,1.78
CHEMBL1224142,Cc1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cccc1C(N)=O,1.6
CHEMBL1235773,COc1ccc2ncc(C#N)c(CCN3CCC(NCc4cc5c(cn4)OCS5)CC3)c2c1,2.55
CHEMBL258313,C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO,3.56
CHEMBL1486187,FC(F)(F)c1nnc2ccc(NCc3cccnc3)nn12,2.06
CHEMBL1800528,COc1ccnc(CCc2nc3c(C)ccnc3[nH]2)c1,2.1
CHEMBL1624252,COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1,3.34
CHEMBL1299619,CSCc1cc(N2CCOCC2)nc(-c2ccccc2)n1,3.26
CHEMBL2346975,CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1,2.2
CHEMBL199118,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1,3.61
CHEMBL1950853,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(C)(C)C,1.47
CHEMBL605114,COc1cccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)cn2)c1OC,1.5
CHEMBL1779512,COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O,1.44
CHEMBL1682945,CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.15
CHEMBL902,N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1,-0.6
CHEMBL247366,Fc1ccc2cn[nH]c2c1,2.3
CHEMBL2158836,O=C(O)[C@@H](Cc1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.5
CHEMBL218468,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccnc4ccc(F)cc34)sc21,1.95
CHEMBL652,O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,1.13
CHEMBL10188,CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,3.91
CHEMBL2331752,Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(O)c(Oc4cc(F)cc(Cl)c4)c3)C2)c(=O)[nH]c1=O,2.35
CHEMBL245908,O=C(O)COc1ccc(Cl)cc1C1CCCCC1,0.93
CHEMBL513192,Cn1cc(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc21,2.2
CHEMBL129660,O=C(c1cc2ccccc2[nH]1)N1CCNCC1,0.6
CHEMBL103355,Cc1ccc(F)c(Nc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,3.1
CHEMBL1644331,c1ccc(Sc2ccc3ccccc3n2)cc1,3.92
CHEMBL183709,CN(C(=O)Cc1ccc(O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.3
CHEMBL249295,CN1CCN([C@H]2C[C@@H](c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn43)C2)CC1,3.2
CHEMBL137,Cc1ncc([N+](=O)[O-])n1CCO,-0.11
CHEMBL575311,Cc1cc(Oc2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(-c2ccccn2)nc1C,2.59
CHEMBL1574146,Nc1cccc2c1C(=O)N(Cc1cccc(Cl)c1)C2=O,3.18
CHEMBL2326864,CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1,-0.82
CHEMBL118,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,3.42
CHEMBL219916,O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,3.45
CHEMBL1566034,O=C1CN(C(=O)c2ccco2)c2ccccc2N1,1.21
CHEMBL250687,CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c2n1,3.99
CHEMBL233658,O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1,3.64
CHEMBL2325997,CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.7
CHEMBL2178385,NC(=O)c1cncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)c1,0.22
CHEMBL1807856,C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@H](O)[C@H]1Cl,3.18
CHEMBL1191,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,-1.33
CHEMBL84803,COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc(OC)c1,3.5
CHEMBL109205,CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1,2.87
CHEMBL389792,CC(CO)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12,2.87
CHEMBL1734492,NC(=O)NC(=O)C(Nc1ccc2c(c1)CCC2)c1ccccc1,3.3
CHEMBL1448605,CCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1,3.63
CHEMBL2181926,CCOC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cccc2c(=O)cc(C)oc12,2.63
CHEMBL2087847,C=CCn1c(=O)c2c(-c3cncn3C)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,3.62
CHEMBL2179666,Cc1cn([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O,-0.51
CHEMBL2335889,CC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1,3.04
CHEMBL1682948,CC[C@H](NC(=O)c1c([S+](C)[O-])c(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1,3.72
CHEMBL1464,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,0.86
CHEMBL514257,OC[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1,3.75
CHEMBL1201753,O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,0.91
CHEMBL1939738,CN(CCO)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(Cc3ccc(F)cc3)CC2)cc1,3.38
CHEMBL2158771,N#Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,2.17
CHEMBL2178370,Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@@H](c3nnn[nH]3)CC2)nc1C(N)=O,1.4
CHEMBL2164690,CC(C)c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CC1)CC3,4.1
CHEMBL2036577,CC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cc2)CC1,2.51
CHEMBL8145,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,2.46
CHEMBL601719,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,2.33
CHEMBL51483,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,2.75
CHEMBL2178935,Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(N)=O)CC3)cc2)nc1C(N)=O,2.7
CHEMBL2207280,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccc(F)cc12,3.93
CHEMBL1213071,Cc1onc(C(N)=O)c1C(=O)Nc1nccs1,1.63
CHEMBL1818328,O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1,1.4
CHEMBL507803,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,3.11
CHEMBL508739,Cc1cc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)ccc1C(=O)N(C)C,2.86
CHEMBL1255978,Cc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12,2.8
CHEMBL190354,O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Br)s1,2.0
CHEMBL2316381,O=C(NCC1CCOCC1)c1nc(OS(=O)(=O)CCC(F)(F)F)ccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12,4.2
CHEMBL2059871,Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.44
CHEMBL2178947,Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@@H](CC(=O)O)CC2)nc1C(N)=O,1.5
CHEMBL379350,CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1,2.0
CHEMBL235191,CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1,0.82
CHEMBL2010852,CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F,2.1
CHEMBL1916082,CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1,0.79
CHEMBL32571,O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,2.6
CHEMBL2158773,Cc1cccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,2.84
CHEMBL1907194,OC1(c2ccccc2)CNCCc2ccccc21,1.38
CHEMBL334492,O=c1[nH][nH]c(=O)c2c1[nH]c1cc(Cl)cc(Cl)c12,1.02
CHEMBL1944739,CN(C)CCCNC(=O)c1nc(Cl)c(N)nc1N,-1.0
CHEMBL447426,CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,2.3
CHEMBL62193,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0.2
CHEMBL62083,Nc1nccc2ccccc12,1.5
CHEMBL61593,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,2.12
CHEMBL520742,COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3)c2cc1OC,2.82
CHEMBL424451,COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1,3.96
CHEMBL2005730,COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1,3.2
CHEMBL84158,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,-0.9
CHEMBL209689,Cc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)O,1.29
CHEMBL1430654,O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1,4.02
CHEMBL1939560,C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1,2.9
CHEMBL196516,Clc1ccc(-c2c[nH]nn2)cc1,2.97
CHEMBL278172,CCOC(=O)c1ccc(N)cc1,1.83
CHEMBL11144,CC(C)C(NC(=O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)OCc2ccncc2)c1=O)C(=O)C(F)(F)F,2.22
CHEMBL351811,NC(Cc1ccccc1)c1ccccc1,1.32
CHEMBL1490317,Cc1cc(C)nc(SCC(=O)Nc2cc(C)on2)n1,1.52
CHEMBL2334575,Cc1ccn2c(-c3ccnc(N)n3)c(C)nc2c1,2.39
CHEMBL2336331,C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccccc4)nc3n2)C[C@@H](C)O1,3.75
CHEMBL352576,CC(=O)NCc1ccc(CN2CCN(c3ccc(F)cc3F)CC2)cc1,2.5
CHEMBL209522,Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO,2.37
CHEMBL2158466,CCCSc1nc(NC)ccc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2,3.27
CHEMBL129199,CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1,1.7
CHEMBL1170522,O=C(Nc1ccccc1)N1CCOCC1,1.0
CHEMBL2031236,Cc1ccc(NC(=O)c2cscn2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.06
CHEMBL1526668,O=C(c1csc2c1CCCC2)N1CCCCC1,3.2
CHEMBL224013,COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC,3.1
CHEMBL2062585,CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCC(=O)O,-0.87
CHEMBL445496,CNC1=Nc2ncccc2C(c2cc[nH]c2)=NC1c1cccs1,1.73
CHEMBL463978,Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CC(=O)N2CCN(C)CC2)cs1,0.57
CHEMBL1871428,Oc1ncc(NCc2ccccc2)c(O)n1,0.82
CHEMBL1630140,CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)c3sc4ccccc4c23)CC1,2.6
CHEMBL1079428,Cn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1,2.94
CHEMBL2346970,OC1(c2ccc(F)cc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1,3.5
CHEMBL225510,O=S(=O)(Nc1cccnc1)c1cccs1,0.54
CHEMBL1945291,COc1ccccc1CN(C)Cc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,1.52
CHEMBL1806525,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(C#N)c(-c2cnc3ccccn23)n1,2.8
CHEMBL162203,Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1,4.1
CHEMBL1144,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,-0.76
CHEMBL448483,C[C@H](NC1=NC(=O)C(C)(C(F)(F)F)S1)c1ccccc1F,3.1
CHEMBL1783279,CCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N,3.26
CHEMBL221118,Nc1cccc(CCc2ccc3cc[nH]c3c2)n1,2.8
CHEMBL1762544,COCCOc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1,3.3
CHEMBL1223457,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccccc3CO)ccc12,3.18
CHEMBL1289779,CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl,2.52
CHEMBL216105,CN1CCC(COc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1,2.59
CHEMBL14516,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CN2CCOCC2)c1=O)C(=O)C(F)(F)F,2.0
CHEMBL1778637,CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1,-0.52
CHEMBL1084327,O=C(O)CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1,1.18
CHEMBL1762527,COc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,3.18
CHEMBL1783112,COc1ccc2nc(C)cc(-n3cc(CNC(C)=O)nn3)c2c1,1.6
CHEMBL69863,Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,2.11
CHEMBL6549,Nc1nc(N)c2cc(Br)ccc2n1,1.78
CHEMBL2164687,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1,3.65
CHEMBL520252,Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)Nc1cccnc1,2.81
CHEMBL208487,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21,2.74
CHEMBL218628,CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C,1.77
CHEMBL1807821,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCOCCOCCc3ccccc3)c2s1,1.09
CHEMBL1824377,O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cscn1,1.56
CHEMBL1774056,Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1,3.11
CHEMBL238087,CC1(c2ccccc2)CC(=O)NC(N)=N1,0.62
CHEMBL2178942,Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)c(F)c2)nc1C(N)=O,1.3
CHEMBL452529,CN(C)CCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,0.64
CHEMBL16,O=C1N=C(O)NC1(c1ccccc1)c1ccccc1,2.41
CHEMBL1916085,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)cnn2-c2ccccc2)cc1,2.01
CHEMBL2031227,Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,2.73
CHEMBL308538,Fc1ncccc1OC[C@@H]1CCN1,-1.2
CHEMBL572016,Cc1cnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)[nH]1,3.3
CHEMBL1917432,Cc1c(Sc2ccc(Cl)cc2)c2c(S(C)(=O)=O)cccc2n1CC(=O)O,0.58
CHEMBL507130,O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12,3.9
CHEMBL578201,Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,2.61
CHEMBL2181928,C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1,2.75
CHEMBL499028,COc1ccccc1-c1nnc(N)[nH]1,0.91
CHEMBL1784340,Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1,0.9
CHEMBL577458,Nc1nc(SCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1.24
CHEMBL220346,Nc1ncccc1NCc1cccc(-c2cccnc2)c1,3.0
CHEMBL1831078,NC(=O)Nc1cc(-c2ccsc2)sc1C(N)=O,2.3
CHEMBL185658,CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(S(C)(=O)=O)cc4)c23)cc1,2.63
CHEMBL71936,CSc1nc2cc(Cl)ccc2[nH]1,3.22
CHEMBL1386638,Cc1cc(NCc2ccccc2)nc2ccccc12,3.69
CHEMBL520003,CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1,2.8
CHEMBL1736763,N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCOCC1,0.5
CHEMBL2335123,CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(C(=O)NCCOCCN)c2C)cc1,2.46
CHEMBL112,CC(=O)Nc1ccc(O)cc1,0.25
CHEMBL118973,Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21,3.8
CHEMBL1762529,COc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,3.0
CHEMBL1605684,CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1=O,3.2
CHEMBL1945289,COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1,0.86
CHEMBL2158826,O=C(O)Cc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.58
CHEMBL2059910,CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1,1.58
CHEMBL898,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,0.59
CHEMBL1731705,O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccccc1,3.96
CHEMBL388335,O=c1[nH]n(Cc2ccoc2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,0.6
CHEMBL1684,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,1.78
CHEMBL87785,Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccncc2)c1,4.35
CHEMBL2316396,O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12,4.4
CHEMBL2104625,O=C(Nc1nnn[nH]1)c1cc(Oc2ccccc2)c2ccccn2c1=O,0.67
CHEMBL205133,Nc1c(C(=O)c2cccc(OC[C@H](O)CO)c2)cnn1-c1ccc(F)cc1,1.94
CHEMBL2163586,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4c(C(F)(F)F)cccc4c3C2)CC1,3.75
CHEMBL2171026,O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.53
CHEMBL514805,CC(=O)N1CCN(c2nc(C#N)nc(NCC(C)C)c2N)CC1,2.4
CHEMBL2059197,CCCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1,-0.79
CHEMBL597803,CN(Cc1ccc(Cl)cc1)C(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1,2.8
CHEMBL110940,CCCN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12,2.74
CHEMBL1314022,CCN(c1ccccc1)c1cc(NC)[n+](C)c(C)n1,-0.91
CHEMBL551060,Cc1nc(C)c(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)s1,2.0
CHEMBL1081772,CC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccccc2)c2ccccc21,3.68
CHEMBL1916285,Cc1nn(-c2ccccc2)c(NS(=O)(=O)c2cccc(CN3CCOCC3)c2)c1C(=O)N[C@@H](C)C(C)(C)C,0.29
CHEMBL384684,C[C@H](NC1=NC(=O)[C@](C)(C(F)(F)F)S1)c1ccccc1F,3.1
CHEMBL379866,CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12,2.44
CHEMBL32363,COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C,1.06
CHEMBL2207286,CN(C)S(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,3.13
CHEMBL1508,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,1.48
CHEMBL134194,Nc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl,3.29
CHEMBL1934413,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCC2)cc1,1.57
CHEMBL474102,Cc1nc(-c2ccccn2)nc(N2CCCC2)c1Cl,3.2
CHEMBL313206,Cc1cc(N)c2cc(NC(=O)CCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,0.53
CHEMBL1778369,COC[C@H](C)Oc1cc(Oc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1,1.69
CHEMBL1762550,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1,3.44
CHEMBL1586531,O=C(/C=C/Sc1nc[nH]n1)c1ccc(Cl)cc1,3.1
CHEMBL184052,COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(N5CCOCC5)c4)ccc3C)c2cc1OC,3.6
CHEMBL1950857,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1)C(C)(C)C,2.05
CHEMBL492112,O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]ncc2c1,4.03
CHEMBL1231683,CC(C)Nc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1,1.24
CHEMBL363462,COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN(C(C)C)C(C)C,3.5
CHEMBL1483,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,3.24
CHEMBL1288164,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc(F)cc3)sc12,2.01
CHEMBL1824036,CS(=O)(=O)c1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)CO2,-0.51
CHEMBL1995326,O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccccc3)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1,2.63
CHEMBL1573297,FC(F)(F)c1nnc2ccc(NCn3nnc4ccccc43)nn12,2.34
CHEMBL1650737,COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2Cl)n[nH]1,2.85
CHEMBL1288306,NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(Br)sc12,1.08
CHEMBL2346968,Fc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1,3.46
CHEMBL1571801,Nc1nc(-c2ccccn2)nc(N)c1Cc1ccccc1F,2.12
CHEMBL562847,CCCCC(NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1,2.89
CHEMBL122617,Oc1cccc2ccccc12,2.5
CHEMBL1000,O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1.27
CHEMBL581893,COc1ccc2c(C)nc(NC(=N)N)nc2c1,-0.51
CHEMBL1831079,NC(=O)Nc1cc(-c2cccc(O)c2)sc1C(N)=O,2.21
CHEMBL234524,O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)cc1,1.8
CHEMBL865,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,2.37
CHEMBL214304,Cc1ccc2c(c1)c(-c1ccnc3cc(C(F)(F)F)ccc13)c(C)n2CC(=O)O,1.78
CHEMBL1880028,O=C(Cc1ccc(Oc2ccccc2)cc1)NO,2.03
CHEMBL426851,CNc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C,1.61
CHEMBL272980,Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,2.28
CHEMBL101,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0.45
CHEMBL111660,CCc1ccc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1,1.1
CHEMBL467399,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,1.67
CHEMBL1809062,COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.2
CHEMBL1223456,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CO)cc3)ccc12,2.86
CHEMBL1762537,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCCC3)cc(N3CCOCC3)c2)n1,4.2
CHEMBL524645,CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1,3.33
CHEMBL464552,CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12,2.61
CHEMBL1539,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,-0.73
CHEMBL266195,C=CCc1ccccc1OCC(O)CNC(C)C,0.99
CHEMBL244183,c1cn(-c2ccc(Oc3cc(Oc4ccc5c(c4)OCO5)ncn3)cc2)cn1,3.17
CHEMBL370826,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1,2.41
CHEMBL1289114,O=C(COCc1ccncc1)N1CCN(c2ccc(Cl)cc2F)CC1,2.55
CHEMBL1783271,COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1,3.47
CHEMBL257830,N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1,1.95
CHEMBL113187,Cc1cc(COC(=O)Nc2ccc(-c3ccccc3)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c2=O)cc(C)n1,2.38
CHEMBL232830,CN(C)C(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21,3.07
CHEMBL75821,C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1Cl)C(F)(F)F,2.14
CHEMBL2179289,Cc1ccc(Oc2cccc(CN3CCCC(n4cc(C)c(=O)[nH]c4=O)C3)c2)cc1,3.38
CHEMBL179128,Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1,1.25
CHEMBL1209583,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccccc1OC(F)(F)F,4.09
CHEMBL1079175,NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,2.5
CHEMBL521407,CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)cc4Cl)c3c2)CC1,3.23
CHEMBL2179272,CC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,0.22
CHEMBL469,O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,-0.93
CHEMBL290119,CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2ccccc12,3.12
CHEMBL2058529,O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1,3.22
CHEMBL103482,CCOC(=O)c1cnc2c(N)cccc2c1O,0.9
CHEMBL236859,Cc1sc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2,2.55
CHEMBL533154,Cc1cc(N)c2cc(NC(=O)CCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,1.39
CHEMBL2158827,O=C(O)Cc1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,1.83
CHEMBL235851,COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC,3.3
CHEMBL2088120,CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cncn3C)n(Cc3cccc4ccccc34)nc21,4.1
CHEMBL1824039,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1,1.82
CHEMBL198758,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C#N)cc2)CC1,2.76
CHEMBL193240,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,3.95
CHEMBL235579,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(O[C@H]2CCCNC2)ccc1Cl,2.18
CHEMBL294209,O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl,1.14
CHEMBL1020,Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,-1.02
CHEMBL359810,Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,2.76
CHEMBL485240,CCCS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1,3.37
CHEMBL113014,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2ccccn2)c1=O)C(=O)C(F)(F)F,2.15
CHEMBL1550278,CC(Nc1ncnc2ccccc12)c1ccccc1,3.4
CHEMBL453655,CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1,3.0
CHEMBL1079773,Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3Cc3ccccc3N3CCOCC3)nc12,3.58
CHEMBL1718949,Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1,3.7
CHEMBL1949685,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C1CCCCC1,1.65
CHEMBL2346974,CC(=O)N1CCN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1,3.2
CHEMBL1964629,Nc1nc(Cl)nc(NCc2ccccc2)n1,2.26
CHEMBL1835912,CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)nc1,3.76
CHEMBL565079,Cc1cccc(C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C(=O)NCC#N)c1,3.1
CHEMBL1223816,NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1,1.55
CHEMBL2059377,CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C#N)c3)cnc2[nH]1,2.62
CHEMBL2171050,Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(F)c(F)c4)CC3)CC2)cc1,0.75
CHEMBL469728,COc1ccc(N(C(=O)c2occc2Cl)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,2.18
CHEMBL1778639,CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(C)c1,-0.45
CHEMBL797,CN1C(=O)CC(c2ccccc2)C1=O,0.68
CHEMBL573287,COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1,3.51
CHEMBL1255840,CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1,-0.27
CHEMBL206266,COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1,2.32
CHEMBL2059867,Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)c[nH]1,2.97
CHEMBL2035034,NC1(c2ccc(-c3c(-c4ccccc4)ncc4nccn34)cc2)CCC1,1.7
CHEMBL219445,COc1cc2ncnc(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)c2cc1OC,4.04
CHEMBL288441,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,3.5
CHEMBL2089275,N#Cc1cccc(-c2cccc(-c3nn[nH]n3)c2)c1,0.7
CHEMBL1297,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,0.71
CHEMBL378405,CC(C)Cn1c(=O)n(C)c(=O)c2c(S(=O)(=O)N3CC[C@@H](O)C3)c(Cc3ccccc3C(F)(F)F)sc21,3.32
CHEMBL587004,CN1CCN(c2nc(NCCNc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)CC1,2.91
CHEMBL2323303,O=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(Oc2ccc(F)cc2-c2cn[nH]c2)cc1F,2.7
CHEMBL195329,O=C(N[C@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1,1.9
CHEMBL1946027,CCN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1,2.65
CHEMBL809,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,3.15
CHEMBL1628227,CN(C)CCC=C1c2ccccc2COc2ccccc21,2.15
CHEMBL373364,O=C(O)c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1,3.0
CHEMBL1458025,Cc1sc2ncnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C,2.7
CHEMBL2171984,N#CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1,1.92
CHEMBL2336326,C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(C(=O)NCCO)c3)nc2n1,2.49
CHEMBL224195,COc1cc(N2CCCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,2.1
CHEMBL468297,c1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1,3.15
CHEMBL17370,CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,2.97
CHEMBL1080151,Cc1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)s1,3.27
CHEMBL520902,CS(=O)(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1,0.68
CHEMBL1321641,N#Cc1nc(N2CCOCC2)nc(N2CCOCC2)n1,1.51
CHEMBL1789274,CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1,0.87
CHEMBL2152074,Nc1nc(Nc2ccc3nc(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccc(C(F)(F)F)cc2)n1,1.54
CHEMBL1829408,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C(C)C)cc1,2.72
CHEMBL100945,C#CCN(c1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1)c1cc(Cl)ccc1Cl,2.8
CHEMBL575099,COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC,3.22
CHEMBL2062578,N#Cc1cnn2c(NC3CC3)cc(-n3ccc4ccc(CO)cc43)nc12,3.09
CHEMBL2165055,CO[C@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@H]1NCc1ccc2c(n1)NC(=O)CO2,0.32
CHEMBL1683934,O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1,2.16
CHEMBL1557436,CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12,3.62
CHEMBL1448393,CCOC(=O)c1ccccc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1,2.43
CHEMBL428462,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.51
CHEMBL1071,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,1.2
CHEMBL2048864,O=C1NC(=O)/C(=C/c2cccc(Cl)c2N2CCNCC2)S1,0.68
CHEMBL298700,CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCNCCCCc3ccncc3)c2c1,3.3
CHEMBL60066,O=C(Nc1ccc(F)cc1)c1ccc(Cl)[n+]([O-])c1,1.38
CHEMBL539163,Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2,3.4
CHEMBL2171999,Cc1nn(C)c2ccc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)cc12,2.8
CHEMBL2087421,COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1,-0.4
CHEMBL1950848,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2F)C1)C1CCCCC1,2.51
CHEMBL149444,COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1OC,2.56
CHEMBL2177613,CCCSc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(C(=O)O)cc1,0.64
CHEMBL1893999,CC(C)C1NCCc2c1sc1ccccc21,2.8
CHEMBL224399,COc1cc(N2CCN(C)CC2)c2[nH]c(C(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)c2c1,2.7
CHEMBL976,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,2.43
CHEMBL217904,COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,3.14
CHEMBL2207596,COc1cc(O)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CCC(=O)O,-0.27
CHEMBL1922267,C[C@@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@@H]2CCN(CCN3CCOCC3)C[C@H]21,2.87
CHEMBL175627,CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#N)nn3)c(F)c2)C(=O)O1,0.8
CHEMBL168073,CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1,2.63
CHEMBL437,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,-0.37
CHEMBL1945042,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1,0.69
CHEMBL563886,CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1,2.6
CHEMBL2171025,O=C(c1ccc(-c2noc(=O)[nH]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.24
CHEMBL455467,Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)n2)n1C(C)C,2.1
CHEMBL472151,CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,2.7
CHEMBL140642,CC(O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F,3.0
CHEMBL341161,O=C1O[C@@H](COc2ccon2)CN1c1ccc(C2=CCOCC2)c(F)c1,2.61
CHEMBL1934421,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCN(CC(F)(F)F)CC2)cc1,1.08
CHEMBL112747,COc1ccnc(NC2CCN(C(=O)c3ccccc3)CC2)c1,2.06
CHEMBL1762539,Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCN(C)CC3)c2)n1,2.61
CHEMBL1089518,CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)O)c3)c2n1,0.14
CHEMBL980,COc1ccccc1OCC(O)CO,0.24
CHEMBL1698351,Cc1cnc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1,0.3
CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,2.1
CHEMBL2178954,Cc1ncc(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O,1.0
CHEMBL454,C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,1.48
CHEMBL1778868,COCCNCc1cncc(-c2ccc(F)cc2OC)n1,1.61
CHEMBL134908,Cc1cc(COc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)NO)CCCN3C)cc2)c2ccccc2n1,2.41
CHEMBL2153190,CCCSc1nc(N2CCC[C@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1,2.18
CHEMBL1224069,NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1,1.71
CHEMBL257176,N#Cc1cccnc1-c1ccc(C(=O)Nc2ccccc2N)cc1,1.58
CHEMBL397983,CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1,3.7
CHEMBL1947155,C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1,2.28
CHEMBL1529362,Nc1nnc(-c2ccccc2)s1,1.8
CHEMBL1824043,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(F)cc54)CC3)nc2N1,0.9
CHEMBL2151319,C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1,2.74
CHEMBL474828,COCCNc1nc(C#N)nc(NCC(C)C)c1N,2.8
CHEMBL1934270,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C(C)(C)C)cc1,1.84
CHEMBL2035030,NC1(c2ccc(-c3ncc4ccncc4c3-c3ccccc3)cc2)CCC1,2.2
CHEMBL660,NC12CC3CC(CC(C3)C1)C2,-0.98
CHEMBL1180250,O=c1[nH]n(C(c2ccccn2)C2CC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12,1.0
CHEMBL1778616,O=C(O)COc1ccc(Br)cc1-c1ccccc1,0.15
CHEMBL1443631,CCOc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1,3.38
CHEMBL1088,CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21,1.6
CHEMBL1356763,Cc1nc2nc(NC(=O)c3ccc(F)cc3)nn2c(O)c1Cc1ccccc1,2.2
CHEMBL515062,CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OC(CO)CO)c2Cl)n[nH]1,2.77
CHEMBL1829442,CCC(NC(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1,4.14
CHEMBL496929,O=C(Nc1ccc(CCO)cc1)c1cc2cc(Cl)ccc2[nH]1,3.85
CHEMBL588001,CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,0.79
CHEMBL1430414,Fc1cc2[nH]cnc2cc1Cl,2.35
CHEMBL335707,O=C(c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1)N1CCCC1,2.31
CHEMBL2172003,COc1cc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3(C#N)CC3)[C@H](C)C2)ccc1C1CC1,3.49
CHEMBL2216839,C[C@H]1CN(Cc2nnc(-c3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)o2)C[C@@H](C)O1,4.01
CHEMBL2171986,COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N)CC2)cc1,1.6
CHEMBL168418,O=C(NCc1ccccc1)c1cccnc1Oc1ccccc1,3.0
CHEMBL2153177,CCCSc1ncccc1C(=O)N(C)C1CCOCC1,1.63
CHEMBL66520,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC=O)c1=O)C(=O)C(F)(F)F,1.84
CHEMBL1233689,CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,1.51
CHEMBL1209657,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccc(F)c(Cl)c1,3.98
CHEMBL1684984,CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,1.2
CHEMBL1689116,O=C(O)COc1ccc(Cl)cc1CN1CCC(S(=O)(=O)c2ccccc2)CC1,0.48
CHEMBL212689,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1,2.2
CHEMBL1951906,CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1,1.05
CHEMBL1518,CCCc1cc(=O)[nH]c(=S)[nH]1,0.7
CHEMBL1644358,c1ccc(Nc2ccnc3ccccc23)cc1,2.78
CHEMBL1519083,Cc1nc2c(C#N)cnn2c(O)c1Cc1ccccc1,0.68
CHEMBL36994,COc1ccc(C(=O)N2CCCC2=O)cc1,0.93
CHEMBL1643203,Cc1cc(CN2Cc3cccnc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)O,1.15
CHEMBL391565,COc1ccc(NC(=O)c2ccnc(N)n2)cc1,1.72
CHEMBL475817,Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl,3.26
CHEMBL1788268,CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1,1.56
CHEMBL394859,O=C([C@@H]1CCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1,2.41
CHEMBL1829246,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1,1.81
CHEMBL592956,Cn1c(-c2ccccc2)cc2onc(-c3ccncc3)c2c1=O,3.17
CHEMBL1201117,COc1ccccc1OCC(O)COC(N)=O,0.36
CHEMBL2158819,O=C(O)C(c1ccccc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.17
CHEMBL2171022,O=C(O)COc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.09
CHEMBL1224065,NC(=O)c1cccc(N[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1,1.01
CHEMBL470897,CCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N,2.8
CHEMBL1944693,COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1,0.82
CHEMBL2170992,CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1,2.5
CHEMBL1945033,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCCc4ccccn4)c3)c2s1,-0.07
CHEMBL347164,COc1ccc(-c2nc(N3CCOCC3)nc(O)c2C#N)cc1,0.2
CHEMBL329672,Clc1cccc(Nc2ncnc3ccccc23)c1,3.9
CHEMBL1683038,COc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1N1CCN(C)CC1,2.35
CHEMBL421604,CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1,1.34
CHEMBL2158829,O=C(O)COc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,1.99
CHEMBL1274,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,1.74
CHEMBL62746,N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1,0.36
CHEMBL1178725,CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1,1.23
CHEMBL2079220,NC(=O)Nc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCNC1,1.04
CHEMBL365614,Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OCC2CCCN(C)C2)n1,1.9
CHEMBL139725,O=Cc1ccccc1B(O)O,0.83
CHEMBL2171278,Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(C)c1,3.8
CHEMBL348000,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,-0.7
CHEMBL430854,CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1,2.6
CHEMBL239640,CN1C(=O)CC(C)(CCc2cccc(-c3ccccc3)c2)N=C1N,2.03
CHEMBL1738761,N#Cc1ccc(Cl)cc1O[C@H](CCN)c1ccccc1,0.76
CHEMBL402561,CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1,3.4
CHEMBL481717,CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCC(O)CC1,2.74
CHEMBL443320,Cc1ccc(NC(=N)N)cc1C,-1.34
CHEMBL82301,COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,2.7
CHEMBL213495,Cc1ccc2c(c1)c(-c1ccnc3c(C#N)cccc13)c(C)n2CC(=O)O,0.52
CHEMBL217899,CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2,3.6
CHEMBL459236,CCn1c(=O)ccc2cc(COc3cc(F)cc(C4(OC)CCOCC4)c3)ccc21,3.89
CHEMBL190,Cn1c(=O)c2[nH]cnc2n(C)c1=O,-0.09
CHEMBL1945034,O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccc(CNCCc4ccccn4)cc3)c2s1,-0.25
CHEMBL1807850,C[C@H]1O[C@@H](n2cnc3c(N)nc(O[C@H]4CC[C@H](C)CC4)nc32)[C@H](O)[C@@H]1O,2.35
CHEMBL2011908,CNc1c(Br)cnc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc12,2.88
CHEMBL2179277,Cc1cn([C@H]2CCCN([C@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O,1.09
CHEMBL1497909,COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1OC,3.5
CHEMBL2086673,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2C#N)cn1,3.3
CHEMBL27364,O=C1c2ccccc2CN1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,4.1
CHEMBL284275,COc1ccc(Cc2c(N)n[nH]c2N)cc1,0.2
CHEMBL1338338,O=C(c1ccc(F)cc1)C1CCN(C(=O)N2CCOCC2)CC1,1.61
CHEMBL571526,Cc1cc(Nc2nc(O[C@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,2.72
CHEMBL494480,CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,0.54
CHEMBL180155,C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.1
CHEMBL212777,Cc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O,1.59
CHEMBL1184060,CC(C)CC(c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O,1.64
CHEMBL513533,Cn1c(=O)c2c(-c3ccc(S(C)(=O)=O)o3)n(Cc3ccnc4ccc(Cl)cc34)nc2n(CC2CC2)c1=O,2.71
CHEMBL2030961,CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2F)n1,-0.05
CHEMBL19224,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,2.81
CHEMBL11428,CC(C)C(NC(=O)Cn1c(C2CCCCC2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F,2.87
CHEMBL1631472,Nc1c(C(=O)NC2CC2)nnc2c(-c3ncccn3)c(F)ccc12,1.59
CHEMBL1209737,O=S(=O)(NCC(c1ccccc1)N1CCCCCC1)c1ccc(C(F)(F)F)cc1,4.29
CHEMBL2059868,Cc1ccc(-c2[nH]cnc2C)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.87
CHEMBL2031461,Cc1ccc(C(=O)Nc2ccon2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,1.87
CHEMBL1333251,CC(=O)Nc1nc(-c2cccs2)cs1,2.77
CHEMBL1824031,O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(Br)cc54)CC3)nc2N1,1.42
CHEMBL1230165,O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12,1.29
CHEMBL1560812,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,2.17
CHEMBL109514,Fc1ccc(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCNCC2)cc1,3.0
CHEMBL1778624,O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(Cl)cc1,0.9
CHEMBL1255834,CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,0.48
CHEMBL1632052,Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2,3.52
CHEMBL208292,COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O,3.58
CHEMBL1289465,O=C(COCc1ccncc1)N1CCC(c2ccc(F)cc2Cl)CC1,2.7
CHEMBL1399574,CCOc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1,2.1
CHEMBL1460615,O=S1(=O)CC(O)C(N2CCC(c3ccccc3)CC2)C1,1.4
CHEMBL1209658,N#Cc1cc(S(=O)(=O)NCC(c2ccccc2)N2CCCCCC2)ccc1F,2.71
CHEMBL2325697,C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1,2.7
CHEMBL2335908,COc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1,3.11
CHEMBL515,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,1.47
CHEMBL1586302,Cc1cc(Nc2ccc(F)cc2)nc(N)n1,2.08
CHEMBL495497,O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccccn2)CC1,2.36
CHEMBL2158834,O=C(O)c1cccnc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.71
CHEMBL31354,COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1,3.0
CHEMBL205742,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Cc3ccnc4ccccc34)sc21,1.65
CHEMBL1329237,CCN(CC)c1ccc(-c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)cc1,3.37
CHEMBL190243,C[C@@H](C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1,1.64
CHEMBL1927345,Cc1ccc(/C=C(\C#N)C(N)=O)cc1,2.09
CHEMBL2179296,Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O,3.68
CHEMBL1738840,COc1ccnc(CCc2nc3cccnc3[nH]2)c1,1.69
CHEMBL2070936,N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1,2.12
CHEMBL2036758,CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,1.62
CHEMBL1224216,NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1,2.1
CHEMBL2179285,Cc1cn([C@H]2CCCN([C@H](CC3CCOCC3)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O,-0.25
CHEMBL2010851,CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1F,2.7
CHEMBL436381,CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1,1.97
CHEMBL1083943,O=C(O)C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1,1.26
CHEMBL1180267,CC(c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O,0.51
CHEMBL1824376,O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1ccccn1,1.78
CHEMBL361546,O=c1c2sccc2n(CC2COc3ccccc3O2)c(=O)n1O,1.44
CHEMBL1704514,CC(C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O,2.47
CHEMBL1184268,Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCCC2CCCCN2)c1,1.7
CHEMBL1940832,O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O,0.02
CHEMBL236779,Nc1nc(CCc2cccc(Br)c2)cc(=O)[nH]1,2.52
CHEMBL1730860,Oc1ccc(-c2cnc3ccccc3n2)cc1,3.3
CHEMBL2348176,Nc1nccc(-n2ccc3ccccc32)n1,2.71
CHEMBL1778995,Fc1cccc(-c2cncc(CNCC3CC3)n2)c1F,1.82
CHEMBL2171039,O=C(NS(=O)(=O)c1ccccc1Cl)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.93
CHEMBL192307,CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)C,3.82
CHEMBL1290331,O=C(COCc1cscn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,3.07
CHEMBL429405,NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,0.39
CHEMBL56802,COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC,3.5
CHEMBL199237,O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1,2.7
CHEMBL469727,COCc1ccoc1C(=O)N(c1ccc(OC)cc1OC)C(C(=O)NC[C@@H](C)O)c1ccccc1F,1.98
CHEMBL594707,Nc1ccc2cn[nH]c2c1,0.52
CHEMBL1829251,CCC(c1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1)N(CCCN)C(=O)c1ccc(C)cc1,2.15
CHEMBL2031162,O=C(Cc1ccc2c(n1)NCCC2)Nc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1,-0.63
CHEMBL414017,Nc1nc(N)c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2n1,2.22
CHEMBL339212,CNC(=O)C1(N2CCCCC2=O)CCN(CC[C@H](CN(C)C(=O)c2cc(C#N)cc3ccccc23)c2ccc(Cl)c(Cl)c2)CC1,2.5
CHEMBL442995,Cc1c(-c2ccc(O)cc2)n(C)c2ccc(O)cc12,3.8
CHEMBL1689114,O=C(O)COc1ccc(Cl)cc1CN1CCCN(S(=O)(=O)c2ccccc2)CC1,1.01
CHEMBL1916277,Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCCCC3C)c(C)nn2-c2ccccc2)cc1,1.94
CHEMBL1471868,O=C(Nc1ccc(F)cc1)c1cccnc1Oc1ccccc1,3.19
CHEMBL1626,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,3.48
CHEMBL253741,COc1cc(Nc2cc(Nc3c(Cl)ccc4c3OCO4)ncn2)cc(OC)c1OC,3.07
CHEMBL1545465,COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1,2.42
CHEMBL212761,CC(C)(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1,3.09
CHEMBL2153178,CCCSc1ncccc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2,2.27
CHEMBL2205493,Nc1nc(O)cc(-c2ccc(O)cc2)n1,1.05
CHEMBL1650730,C[C@H](Nc1ncc(Cl)c(Nc2cc(N(C)C)[nH]n2)n1)c1ncc(F)cn1,2.33
CHEMBL1324,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0.74
CHEMBL2171034,O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.79
CHEMBL2069929,c1cncc(-c2ccc(-c3nnc(C4CN5CCC4CC5)o3)o2)c1,1.2
CHEMBL1486510,CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,3.5
CHEMBL365458,Oc1cccc2nc(-c3ccccc3)cc(O)c12,3.37
CHEMBL186513,N#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12,3.6
CHEMBL474432,COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC,0.84
CHEMBL250124,COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cccc(OC(F)(F)F)c4)C3)nc2c1,3.61
CHEMBL99408,Nc1ccc2ncccc2c1,1.33
CHEMBL1962631,N=C(N)NC(=O)c1nc(Cl)c(NCc2ccccn2)nc1N,-0.56
CHEMBL489514,Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,2.3
CHEMBL1180299,O=c1[nH]n(Cc2ccccn2)c(=O)c2c(=O)c3ccc(Cl)cc3[nH]c12,1.1
CHEMBL1698932,Oc1cc(-c2ccccc2)nc2ncnn12,-0.21
CHEMBL1809191,CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccccn45)n3)cc2)CC1,2.82
CHEMBL521815,CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,1.03
CHEMBL183293,CN(C(=O)Cc1ccc(Cl)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,3.5
CHEMBL2086654,CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)cn2)CC1,3.2
CHEMBL2325711,O=S(=O)(c1ccccc1)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1,3.4
CHEMBL1289283,O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,2.0
CHEMBL1200600,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,2.65
CHEMBL685,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,2.9
CHEMBL2207226,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)Cc1ccnc(F)c1,3.37
CHEMBL2036753,O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1,4.26
CHEMBL2086672,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2F)cn1,3.7
CHEMBL2178579,O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl,2.6
CHEMBL1689111,O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1,0.33
CHEMBL2011920,CNc1c(Br)cnc2[nH]c(-c3cnn(C4CCN(C)CC4)c3)nc12,2.5
CHEMBL2171027,O=C(O)CCCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,0.66
CHEMBL103667,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,4.49
CHEMBL2158779,O=C(O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)CC1,2.6
CHEMBL243978,c1cn(-c2ccc(Oc3nccc(Oc4ccc5c(c4)OCO5)n3)cc2)cn1,3.27
CHEMBL1951080,COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CCC2C)cc1NC(=O)CSCC(=O)O,-1.18
CHEMBL1682283,C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cncnc23)c1,0.92
CHEMBL1917450,Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(=O)O,-0.83
CHEMBL560241,Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)n[nH]1,3.41
CHEMBL48082,Nc1nccc(-c2c[nH]c3ccccc23)n1,1.68
CHEMBL1829430,CCC(c1nc2snc(C)c2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)cc1,1.61
CHEMBL2325742,C[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,3.3
CHEMBL317629,CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1,2.5
CHEMBL16687,Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,3.98
CHEMBL403656,C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(C#N)cc12,3.32
CHEMBL453222,COCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,2.34
CHEMBL1957851,Cc1cccc(Cn2ccn3c(=O)cc(N4CCOCC4)nc23)c1,2.8
CHEMBL2216870,CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,2.72
CHEMBL101779,COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1,1.5
CHEMBL65511,COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1,1.97
CHEMBL383322,CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,1.69
CHEMBL2012856,Nc1cc2n[nH]c(=O)n2c2cc(-c3cccs3)ccc12,3.26
CHEMBL1927707,O=C(CCc1ccccc1O)Nc1ccccc1,2.71
CHEMBL2170994,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Cl)cc2)[C@@H](O)[C@H]1O,2.5
CHEMBL261713,O=C(NO)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1ccc2ccccc2c1,3.23
CHEMBL1809064,COc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,3.1
CHEMBL1221659,Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1,1.62
CHEMBL242541,Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,2.64
CHEMBL403569,O=C(CO)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,3.62
CHEMBL2325730,NC(=O)C(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.2
CHEMBL395955,NC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21,3.22
CHEMBL519422,CCn1c(-c2ccnc(Nc3ccc(C(=O)NC)cc3)n2)cnc1C,2.53
CHEMBL1562923,Cc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2C)cc1,2.5
CHEMBL1270773,CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1,2.5
CHEMBL14130,O=[N+]([O-])c1ccc(O)cc1,1.5
CHEMBL550167,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCCNCCCO)ccc1Cl,1.41
CHEMBL2325993,CN(C)CCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1.4
CHEMBL2325735,CS(=O)(=O)NCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.1
CHEMBL1940296,CNC(=O)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,1.99
CHEMBL2059005,CCCSc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1,2.9
CHEMBL2023117,CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1,3.42
CHEMBL1720347,Cc1nc2nc(-c3cccnc3)nn2c(O)c1Cc1ccccc1,1.52
CHEMBL1650734,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2Cl)n[nH]1,2.61
CHEMBL584991,Nc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1,2.7
CHEMBL263664,NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,2.72
CHEMBL499520,O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,3.19
CHEMBL1290108,O=C(COCc1ccccn1)N1CCN(c2ccc(Cl)cc2Cl)CC1,3.47
CHEMBL1829261,CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CC1CCNCC1)C(=O)c1ccc(C)cc1,1.33
CHEMBL2325740,COCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,2.95
CHEMBL2036595,CCOc1cccc(Nc2nnc(C(=O)Nc3ccc(N4CCOCC4)nc3)o2)c1,3.6
CHEMBL324983,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)NCc2cccnc2)c1=O)C(=O)C(F)(F)F,2.84
CHEMBL2010844,CN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1F,3.3
CHEMBL20969,c1ccc(C2CCNCC2)cc1,0.54
CHEMBL330366,COc1cc(C(=O)N2CC[C@](CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,3.23
CHEMBL412142,Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1,3.86
CHEMBL1331627,Nc1[nH]nc2ccccc12,1.0
CHEMBL1181881,O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1,1.77
CHEMBL1498995,CNc1ncc(C(=O)c2ccccc2)s1,2.36
CHEMBL564737,O=C(NCC1(O)CCCCCC1)c1cc(-c2ccccc2C(=O)O)ccc1Cl,-0.34
CHEMBL130,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,1.15
CHEMBL224615,CN(C)c1ccnc2sc3c(=O)n(-c4ccccc4)cnc3c12,2.34
CHEMBL512607,CC(C)(C)C(=O)N[C@H]1CCCCNC1=O,0.58
CHEMBL179043,O=c1cc(N2CCOCC2)nc2ccccn12,1.0
CHEMBL255170,Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)cc2Cl)cn1,3.4
CHEMBL1620331,CCOc1ccc(-c2cnc3n2CCC3)cc1,2.65
CHEMBL1950858,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(O)cc2)C1)C(C)(C)C,0.77
CHEMBL291666,COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC,3.1
CHEMBL1809228,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccc(N(C)C)cn23)n1,4.1
CHEMBL1421,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,3.41
CHEMBL1412475,Cc1cc(O)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1,1.4
CHEMBL1508646,Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1,3.78
CHEMBL1306071,COc1ccc(Cl)cc1NC(=O)Nc1cnccn1,3.63
CHEMBL1079,Clc1ccc2nsnc2c1NC1=NCCN1,0.71
CHEMBL1807858,Nc1nc(OC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](Cl)[C@H]1O,2.16
CHEMBL383723,CNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O,2.71
CHEMBL826,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,-0.83
CHEMBL1343875,CC(C(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl,4.19
CHEMBL1916538,COc1ccc2c(c1)N(CCN1CCC(NCc3ccc4c(n3)NC(=O)CO4)CC1)C(=O)OC2,0.5
CHEMBL186995,O=C(NCc1ccccc1Cl)c1cccnc1Oc1ccccc1,3.68
CHEMBL1519921,NC(=O)Cc1nc(-c2ccccc2)cs1,1.3
CHEMBL2011942,NC(=O)c1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1NCCCNC(=O)C1CCC1,2.48
CHEMBL384699,COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN1CCOCC1,3.4
CHEMBL98345,O=C(NO)c1ccc(NS(=O)(=O)c2ccccc2)cc1,0.75
CHEMBL418226,CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2,1.7
CHEMBL1917441,Cc1ccc2c(c1)c(Sc1cccc(Cl)c1)c(C)n2CC(=O)O,1.85
CHEMBL50627,O=C1C(=O)c2cccnc2-c2ccccc21,1.88
CHEMBL2321994,OCC[C@@]1(c2cc3ccccc3o2)CCCNC1,0.06
CHEMBL2059195,O=C(O)/C=C/c1cccc(-c2cnc3[nH]ccc3c2)c1,0.58
CHEMBL2153173,CCCSc1ncccc1C(=O)NC1CCCCC1,3.24
CHEMBL2324355,Cc1nocc1C(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(N)n1,3.7
CHEMBL109396,CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(N)(=O)=O)c1=O)C(=O)C(F)(F)F,1.17
CHEMBL2036782,CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1,2.21
CHEMBL2059869,Cc1ccc(-c2cn(C)c(C)n2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1,2.71
CHEMBL47406,COC(=O)COc1ccc(O)cc1,0.92
CHEMBL1726,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],3.59
CHEMBL60088,N=C(N)c1cc2c(I)cccc2s1,0.74
CHEMBL1543041,CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1,0.4
CHEMBL2178948,Cc1nc(C)c(-c2ccc3c(c2)CC[C@]32CC[C@H](C(=O)O)CC2)nc1C(N)=O,1.3
CHEMBL100539,O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1,4.21
CHEMBL569720,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)c(C#N)nc2C)n[nH]1,1.92
CHEMBL2179273,CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1,0.6
CHEMBL502,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,2.41
CHEMBL2208431,O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c(=O)c2ccccc12,3.69
CHEMBL1515447,CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,2.36
CHEMBL2165059,CO[C@@H]1CN(CCn2c(=O)ccc3ccc(C#N)cc32)CC[C@H]1NCc1ccc2c(n1)NC(=O)CO2,0.81
CHEMBL1526499,Clc1ccc(-c2cn3ccccc3n2)cc1,4.0
CHEMBL1587607,O=C(Nc1ccccc1Cl)c1cc[nH]n1,2.58
CHEMBL1073,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,0.31
CHEMBL1223246,Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12,2.77
CHEMBL134074,Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2,4.2
CHEMBL1934422,Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOCC2)cc1,0.5
CHEMBL14474,c1ccc2ncccc2c1,2.09
CHEMBL239513,O=C(COc1ccccc1)c1ccccc1,2.87
CHEMBL471951,N#Cc1nc(N2CCCCC2)c(N)c(N2CCOCC2)n1,2.71
CHEMBL1809199,COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(C)cccn23)n1,3.2
CHEMBL208330,CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21,2.9
CHEMBL521809,O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ncccn2)CC1,2.13
CHEMBL258282,CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,2.45
CHEMBL2171023,O=C(O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,1.73
CHEMBL392559,O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3C[C@H]2CN3)ccc1Cl,1.45
CHEMBL153036,CNCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,1.96
CHEMBL2031164,O=C(N[C@@H](Cc1ccc(OCCNc2nc3ccccc3[nH]2)cc1)C(=O)O)c1c(Cl)cccc1Cl,0.6
CHEMBL1054,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,0.37
CHEMBL2153185,CCCSc1nc(Oc2ccc(CC(=O)O)cc2)ccc1C(=O)NC1CCCCC1,1.79
CHEMBL278078,CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2OC)cc1,1.0
CHEMBL2086684,C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccncc2C#N)cn1,3.33
CHEMBL1682816,O=C1CCOc2cc(OCc3cccc(F)c3)ccc21,3.4
CHEMBL1779497,O=C(NCC1CCCCC1)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl,1.26
CHEMBL1783287,COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O,3.26
CHEMBL233447,O=C(NC1Cc2ccccc2N(CCO)C1=O)c1cc2cc(Cl)sc2[nH]1,3.05
CHEMBL1950861,CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccn2)C1)C(C)(C)C,-0.55
CHEMBL2035027,NC1(c2ccc(-c3ncc4ccccc4c3-c3ccccc3)cc2)CCC1,3.6
CHEMBL2326686,Fc1ccc(C2CC=CCNC2)cc1Cl,1.33
CHEMBL247479,CN(C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,3.6
CHEMBL1088029,COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1,2.99
CHEMBL2110569,COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCF,2.3
CHEMBL1542,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,0.19
CHEMBL274737,CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12,3.27
CHEMBL1796293,N#Cc1ccccc1Oc1ccc(C(=O)NCc2ccncc2)cc1,2.57
CHEMBL2152915,CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(Cl)cc(C#N)c3)cc1C21N=C(C)C(N)=N1,3.8
CHEMBL393714,Cn1c(-c2ccncc2)cc2onc(-c3ccccc3)c2c1=O,2.61
CHEMBL2171215,O=C(NS(=O)(=O)Cc1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.13
CHEMBL44,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,3.06
CHEMBL900,Cc1ccccc1C(OCCN(C)C)c1ccccc1,1.47
CHEMBL401158,CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,3.07
CHEMBL2325698,CC[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1,3.0
CHEMBL563379,CNC[C@H](O)c1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1,1.41
CHEMBL1607641,Cc1nnsc1C(=O)Nc1ccccc1,0.97
CHEMBL2171043,O=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,2.62
CHEMBL2030813,O=C(N[C@@H](Cc1ccc(OCCNc2ccccn2)cc1)C(=O)O)c1c(Cl)cccc1Cl,-0.48
CHEMBL2171014,Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)NS(=O)(=O)c4ccc(N(C)C)cc4)CC3)CC2)c1Cl,2.0
CHEMBL1201016,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,1.7
CHEMBL15770,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1,-0.01
CHEMBL516441,CC[C@H](NC(=O)c1c(N)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1,4.05
CHEMBL384260,COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1,3.02
CHEMBL294286,CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21,3.2
CHEMBL206229,CC(C)Cn1c(=O)n(C)c(=O)c2c(SC(C)C)c(Cc3ccccc3C(F)(F)F)sc21,4.42
CHEMBL2048863,N[C@H]1CCN(c2c(Cl)cccc2/C=C2\SC(=O)NC2=O)C1,1.89
CHEMBL1957460,Cc1nccc(-c2ccc(-c3nc4ccncc4c(O)c3C#N)cc2)c1Cl,2.0
CHEMBL82663,O=S(=O)(CCCOCCc1ccccc1)CCNCCc1ccc(O)c2nc(O)sc12,2.61
CHEMBL2035026,CCn1cnc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c21,2.0
CHEMBL115,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,2.9
CHEMBL1987793,Cc1ccccc1-c1c(C(=O)O)n(CCCOc2cccc3ccccc23)c2ccccc12,3.89
CHEMBL1209738,N#Cc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCCCCC2)cc1,2.86
CHEMBL218713,Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,3.6
CHEMBL1778636,N#Cc1cccc(-c2cc(Cl)ccc2OCC(=O)O)c1,-0.25
CHEMBL360425,CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](N)Cc3ccc(F)c(F)c3)[C@H](Cc3ccccc3)C2)c1,2.06
CHEMBL1738748,O=C(NCc1ccncc1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1,2.42
CHEMBL612012,COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341,0.8
CHEMBL128613,CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1,2.79
CHEMBL226960,COC(=O)c1ccc(C(C)n2[nH]c(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1,1.3
CHEMBL412119,NS(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1cccc3ccccc13)N2,1.9
CHEMBL112866,COc1ccnc(NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,2.82
CHEMBL252083,CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1,3.0
CHEMBL1194608,CN1CC=C(c2cccc(O)c2)CC1,0.53
CHEMBL452791,COCCOCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1,2.21
CHEMBL2325991,COc1ccc(C(C)NC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)cc1OC,1.8
CHEMBL638,C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,1.7
CHEMBL2171046,Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4Cl)CC3)CC2)cc1,1.52
CHEMBL561771,COc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3-c3ccccc3)c2)c1,4.29
CHEMBL436281,c1ccc(C2OC3(CCNCC3)c3ccccc32)cc1,0.75
CHEMBL1735467,CC(=O)Nc1cccc(OCc2cnc(Cl)s2)c1,2.38
CHEMBL98406,Nc1nc2ccc(F)cc2s1,2.2
CHEMBL244521,CC(C)c1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,3.6
CHEMBL1276946,Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccccn1,0.2
CHEMBL393501,Cn1c(N)nc(CCc2cccc(-c3ccccc3)c2)cc1=O,3.8