diff --git "a/train_data.csv" "b/train_data.csv"
new file mode 100644--- /dev/null
+++ "b/train_data.csv"
@@ -0,0 +1,3361 @@
+smiles,CMPD_CHEMBLID,exp
+CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,CHEMBL645,0.1
+Cc1ccc(NC(=N)N)cc1C,CHEMBL443320,-1.34
+CC(C)C(=O)NCCNCC(O)COc1ccc(O)cc1,CHEMBL322122,-0.15
+C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC=C)C(F)(F)F,CHEMBL74582,3.07
+CC(C)NCC(O)COc1ccccc1OCC=C,CHEMBL546,0.2
+Cc1ccc(O)c(O)c1,CHEMBL158766,1.37
+CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,CHEMBL129529,1.93
+CCC(CCNC)Oc1cc(Cl)ccc1C#N,CHEMBL1789148,0.38
+CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl,CHEMBL1241590,0.44
+CCN(CC)CCOC(=O)c1ccc(N)cc1,CHEMBL569,0.0
+CC(N)C(=O)Nc1c(C)cccc1C,CHEMBL1762,-0.15
+NC(=N)SCc1ccc(Cl)c(Cl)c1,CHEMBL1229059,1.28
+CCN(CC)CCNC(=O)c1ccc(N)cc1,CHEMBL640,-0.92
+CN[C@@H](C)[C@H](O)c1ccccc1,CHEMBL211456,-1.15
+COC(=O)COc1ccc(O)cc1,CHEMBL47406,0.92
+CCN(CC)C(C)C(=O)c1ccccc1,CHEMBL1194666,1.18
+CC(C)NCC(O)COc1ccccc1CC=C,CHEMBL266195,0.99
+OC(=O)c1ccccc1O,CHEMBL424,-1.36
+CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,CHEMBL782,0.44
+CCCc1c(O)c(ccc1OCCCCSCC(=O)O)C(=O)C,CHEMBL167151,1.3
+CCOc1ccc(NC(=O)C)cc1,CHEMBL16073,1.5
+COc1ccc(NC(=O)C=C)cc1,CHEMBL2089383,1.68
+NC(=O)c1ccc(Br)cc1,CHEMBL339059,1.75
+OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,CHEMBL515,1.47
+NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N,CHEMBL17,0.92
+OB(O)c1ccccc1C=O,CHEMBL139725,0.83
+CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(=O)(=O)C,CHEMBL191413,0.51
+CC(C)NCCCOc1ccc(NC(=O)C)cc1CC=C,CHEMBL133996,-0.01
+NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],CHEMBL1437065,0.81
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O,CHEMBL1222330,-1.1
+NC(Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,CHEMBL429405,0.39
+Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,CHEMBL457,0.72
+OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-],CHEMBL130,1.15
+C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,CHEMBL1201236,-0.7
+CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1,CHEMBL533,1.2
+CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,CHEMBL498,-0.33
+COc1ccccc1OCC(O)CO,CHEMBL980,0.24
+CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,CHEMBL894,2.12
+CC(C)Cc1ccc(cc1)C(C)C(=O)NS(=O)(=O)C,CHEMBL2172782,0.78
+CCOC(=O)c1ccc(N)cc1,CHEMBL278172,1.83
+NC(=N)Nc1ccc(Cl)c(Cl)c1,CHEMBL40999,-0.31
+CC(Cc1ccccc1)N(C)CC#C,CHEMBL8663,2.16
+NC(=O)c1ccccc1O,CHEMBL27577,1.09
+CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,CHEMBL87563,2.41
+CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],CHEMBL806,3.46
+NC(=O)Cc1ccccc1,CHEMBL347645,0.3
+COc1ccccc1OCC(O)COC(=O)N,CHEMBL1201117,0.36
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1,CHEMBL168073,2.63
+C[C@@H](N)COc1c(C)cccc1C,CHEMBL147507,0.6
+C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)C)C(F)(F)F,CHEMBL73048,2.08
+CC(=O)Nc1ccc(O)cc1,CHEMBL112,0.25
+CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,CHEMBL86,0.34
+CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,CHEMBL84158,-0.9
+CC(=N)NCc1ccccc1,CHEMBL1186433,-0.28
+CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,CHEMBL897,0.03
+COc1ccc(OC)c(c1)C(O)CNC(=O)CN,CHEMBL1201212,-0.71
+CC(N)COc1c(C)cccc1C,CHEMBL558,0.62
+CC(=O)Nc1ccccc1C,CHEMBL1568309,1.0
+CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,CHEMBL399510,0.54
+Cc1ccc(NC(=O)C=C)cc1,CHEMBL2086478,2.25
+CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,CHEMBL456,0.02
+C[C@H](N)COc1c(C)cccc1C,CHEMBL146855,0.6
+CCCCNc1ccc(cc1)C(=O)OCCN(C)C,CHEMBL698,2.11
+C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCO)C(F)(F)F,CHEMBL306835,2.1
+Oc1cc(Cl)cc(Cl)c1,CHEMBL314566,3.58
+CN(C(=O)C)c1ccccc1,CHEMBL481312,1.1
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1,CHEMBL74399,3.66
+COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F,CHEMBL1621884,1.55
+N[C@@H](Cc1ccc(F)cc1)C(=O)O,CHEMBL1235242,-1.06
+CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,CHEMBL642,-0.27
+Cc1ccc(\C=C(/C#N)\C(=O)N)cc1,CHEMBL1927345,2.09
+Nc1ccccc1[N+](=O)[O-],CHEMBL274009,-0.96
+CC(C)CCOc1ccc(N)cc1,CHEMBL1610669,2.67
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)NS(=O)(=O)C,CHEMBL192943,0.56
+NNCCc1ccccc1,CHEMBL1089,-0.01
+Oc1ccc(cc1)[N+](=O)[O-],CHEMBL14130,1.5
+CCS(=O)(=O)c1ccc(c(C)c1)c2cc(ccc2O[C@H](C)C(=O)O)C(F)(F)F,CHEMBL1778648,-0.4
+OC(=O)COc1ccc(cc1c2cc(ccc2F)C#N)C(F)(F)F,CHEMBL1778635,-0.16
+CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(Cl)ccc2OCC(=O)O,CHEMBL1778642,-0.75
+OC(=O)c1cc(ccc1O)c2ccc(F)cc2F,CHEMBL898,0.59
+CCS(=O)(=O)c1ccc(c(C)c1)c2cc(ccc2OCC(=O)N)C(F)(F)F,CHEMBL1778653,2.77
+CN(c1ccc(c(C)c1)c2cc(ccc2OCC(=O)O)C(F)(F)F)S(=O)(=O)C,CHEMBL1778633,-0.59
+CN(c1ccc(cc1)c2cc(ccc2OCC(=O)O)C(F)(F)F)S(=O)(=O)C,CHEMBL1778627,-0.81
+CCN(CC)S(=O)(=O)c1ccc(cc1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778623,0.67
+CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,CHEMBL563,0.85
+CCS(=O)(=O)c1ccc(c2cc(Cl)ccc2OCC(=O)O)c(c1)C(F)(F)F,CHEMBL1778647,0.62
+CCS(=O)(=O)c1cccc(c1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778629,-0.66
+OC(=O)COc1ccc(cc1c2ccc(Cl)cc2)C(F)(F)F,CHEMBL1778624,0.9
+OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2,CHEMBL277522,0.58
+CCS(=O)(=O)c1ccc(c(C)c1)c2cc(Cl)ccc2OCC(=O)O,CHEMBL1778645,-0.65
+OC(=O)c1cccc(c1)c2cccc(c2)C#N,CHEMBL2089277,0.3
+OC(=O)COc1ccc(cc1c2cccc(c2)C#N)C(F)(F)F,CHEMBL1778628,0.05
+CCS(=O)(=O)c1ccc(c(F)c1)c2cc(Cl)ccc2OCC(=O)O,CHEMBL1778644,-0.92
+CCS(=O)(=O)c1ccc(c(C)c1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778639,-0.45
+Cc1ccc(cc1c2cc(ccc2OCC(=O)O)C(F)(F)F)C#N,CHEMBL1777822,0.15
+CCC(Oc1ccc(cc1c2ccc(cc2C)S(=O)(=O)CC)C(F)(F)F)C(=O)O,CHEMBL1778650,0.31
+CCSc1ccc(cc1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778622,1.54
+OC(=O)COc1ccc(cc1c2ccccc2)[N+](=O)[O-],CHEMBL1778612,-0.69
+COc1ccc(cc1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778625,0.29
+OC(=O)COc1ccc(Cl)cc1c2cccc(c2)C#N,CHEMBL1778636,-0.25
+CCS(=O)(=O)c1ccc(c(Cl)c1)c2cc(Cl)ccc2OCC(=O)O,CHEMBL1778646,-0.43
+CS(=O)(=O)c1ccc(c(Cl)c1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778637,-0.52
+C[C@@](CCc1ccc(cc1)c2ccc(Cl)cc2)(C(=O)NO)S(=O)(=O)C,CHEMBL1956129,2.4
+CC(C)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F)C(=O)NCC#N,CHEMBL437501,3.24
+CS(=O)(=O)c1ccc(cc1)c2cc(ccc2OCC(=O)O)C(F)(F)F,CHEMBL1778621,-0.87
+OC(=O)COc1ccc(cc1c2ccccc2)C#N,CHEMBL1778618,-1.08
+CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)c2ccccc2)C#N,CHEMBL212521,2.6
+CN(c1ccc(c(Cl)c1)c2cc(F)ccc2OCC(=O)O)S(=O)(=O)C,CHEMBL1778634,-1.17
+OC(=O)COc1ccc(Br)cc1c2ccccc2,CHEMBL1778616,0.15
+CCS(=O)(=O)c1ccc(c(C)c1)c2cc(ccc2CCC(=O)O)C(F)(F)F,CHEMBL1778652,0.76
+CCS(=O)(=O)c1ccc(cc1)c2cc(Cl)ccc2OCC(=O)O,CHEMBL1778641,-0.78
+CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N,CHEMBL435582,3.5
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(NS(=O)(=O)C)cc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL198114,1.84
+CCN(C1CCN(CCC(c2ccc(NC(=O)C)cc2)c3cccc(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL370826,2.41
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(NC(=O)C)cc4,CHEMBL182878,2.9
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(NC(=O)C)cc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL198497,2.09
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(cc3)C#N)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL198758,2.76
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL369311,3.0
+CCN(C1CCN(CC[C@H](c2ccc(cc2)S(=O)(=O)C)c3cc(F)c(F)c(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL211175,2.55
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(Cl)cc4,CHEMBL183293,3.5
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)N,CHEMBL179877,2.4
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)C#N,CHEMBL182279,3.9
+CCN(C1CCN(CC[C@H](c2ccc(cc2)S(=O)(=O)C)c3cccc(Cl)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL379082,2.37
+COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c4ccccc4)CC2)cc1,CHEMBL182731,4.0
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(cc3)S(=O)(=O)C)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL198150,1.73
+CCN(C1CCN(CC[C@H](c2ccc(cc2)S(=O)(=O)C)c3cc(F)cc(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL212689,2.2
+CCN(C1CCN(CC[C@H](c2ccc(cc2)S(=O)(=O)C)c3cc(F)cc(Cl)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL382435,2.71
+CCN(C1CCN(CC[C@@H](c2ccccc2)c3ccc(cc3)S(=O)(=O)C)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL211866,1.38
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(NC(=O)C(C)(C)C)cc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL370552,2.98
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)N,CHEMBL181913,2.3
+CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c4ccccc4)CC2)cc1,CHEMBL180155,3.1
+CCN(C1CCN(CC[C@@H](c2ccc(F)cc2)c3ccc(cc3)S(=O)(=O)C)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL380005,1.88
+CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c4ccccc4)CC2)cc1,CHEMBL179858,3.5
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)[N+](=O)[O-],CHEMBL360106,4.1
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)N(C)C,CHEMBL179993,3.7
+COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c4ccccc4)CC2)cc1OC,CHEMBL182682,3.4
+CCN(C1CCN(CC[C@H](c2ccc(cc2)S(=O)(=O)C)c3cccc(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL212731,2.9
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(O)cc4,CHEMBL183709,3.3
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)C#N,CHEMBL180656,3.7
+CCN(C1CCN(CCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL199147,3.21
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N(C)C)ncc2F,CHEMBL453862,2.77
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccccc3)n2,CHEMBL1164652,3.58
+CCn1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)NC)n2,CHEMBL519422,2.53
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)N)n2,CHEMBL488084,2.39
+CCn1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)NCCOC)n2,CHEMBL485618,2.44
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)n2,CHEMBL453629,1.96
+COc1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1,CHEMBL478828,3.43
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)NCCO)n2,CHEMBL487067,2.09
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N)ncc2F,CHEMBL509881,2.7
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F,CHEMBL462385,2.26
+COCCS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1,CHEMBL515854,2.56
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(F)cc3)n2,CHEMBL478407,3.62
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N(C)C)n2,CHEMBL476518,3.51
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C#N)n2,CHEMBL444194,3.62
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)CCCN(C)C)n2,CHEMBL457887,1.32
+Cc1ncc(c2ccnc(Nc3ccc(cc3)S(=O)(=O)N)n2)n1C,CHEMBL484738,1.6
+CNC(=O)c1ccc(Nc2ncc(F)c(n2)c3cnc(C)n3C(C)C)cc1F,CHEMBL455651,3.31
+CCCS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1,CHEMBL485240,3.37
+CNC(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1F,CHEMBL455428,2.95
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)N(C)C)c(C)c3)ncc2F,CHEMBL508739,2.86
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)N(C)C)n2,CHEMBL488085,2.45
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)N(C)C)c(F)c3)ncc2F,CHEMBL454648,3.14
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(C(=O)N)c(F)c3)n2,CHEMBL455427,2.8
+CNC(=O)c1ccc(Nc2ncc(F)c(n2)c3cnc(C)n3C(C)C)cc1,CHEMBL453655,3.0
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)N)c(F)c3)ncc2F,CHEMBL455429,3.14
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(C(=O)N(C)C)c(F)c3)n2,CHEMBL510436,2.74
+CNC(=O)c1ccc(Nc2nccc(n2)c3cnc(C)n3C(C)C)cc1,CHEMBL508129,2.69
+COc1ccc(Oc2cccc(CN3CCCC(C3)N4C=C(C)C(=O)NC4=O)c2)cc1,CHEMBL2179291,3.17
+CC1=CN([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(c4)C(F)(F)F)c3)C2)C(=O)NC1=O,CHEMBL2179669,-0.38
+CC[C@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179272,0.22
+CC1=CN([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)C(=O)NC1=O,CHEMBL2179666,-0.51
+CCC(CC)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179280,1.68
+CC1=CN([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(F)c4)c3)C2)C(=O)NC1=O,CHEMBL2179668,-1.03
+C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179269,-0.3
+CC(C)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179275,0.91
+CC1=CN(C2CCCN(Cc3cccc(Oc4ccc(C)cc4)c3)C2)C(=O)NC1=O,CHEMBL2179289,3.38
+CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179279,1.37
+CCC(C)(CC)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3,CHEMBL2179282,1.97
+C[C@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179270,-0.26
+CCCCC[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3,CHEMBL2179281,1.69
+CC1=CN([C@H]2CCCN(Cc3cccc(Oc4cccc(Br)c4)c3)C2)C(=O)NC1=O,CHEMBL2179296,3.68
+CC1=CN([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)C(=O)NC1=O,CHEMBL2179665,-0.55
+CC1=CN([C@H]2CCCN(C2)[C@@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C(=O)NC1=O,CHEMBL2179278,1.12
+CC1=CN([C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C(=O)NC1=O,CHEMBL2179277,1.09
+CC1=CN([C@H]2CCCN(Cc3ccc(C(=O)O)c(Oc4cccc(C)c4)c3)C2)C(=O)NC1=O,CHEMBL2179667,-0.82
+CC(C)C[C@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179276,0.93
+CCCC(C)(C)C[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179283,1.99
+CC1=CN(C2CCCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C2)C(=O)NC1=O,CHEMBL2179290,3.38
+CC[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179271,0.22
+CCC[C@@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179273,0.6
+CC1=CN(C2CCCN(Cc3cccc(Oc4ccccc4)c3)C2)C(=O)NC1=O,CHEMBL2179287,3.04
+CCC[C@H](N1CCC[C@@H](C1)N2C=C(C)C(=O)NC2=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3,CHEMBL2179274,0.5
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(F)cc(F)cn34)N5CCN(CC5)C(=O)C,CHEMBL1809229,3.2
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(F)cccn34)N5CCN(CC5)C(=O)C,CHEMBL1809198,3.5
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccc(cn34)N(C)C)N5CCN(CC5)C(=O)C,CHEMBL1809228,4.1
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(OC)cccn34)N5CCN(CC5)C(=O)C,CHEMBL1809200,3.5
+CC(=O)N1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnc5ccccn45)cc2,CHEMBL1809191,2.82
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CCN(CCO)CC5,CHEMBL1809062,3.2
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)N,CHEMBL1809067,3.3
+COc1cc(ccc1Nc2ncc(c(n2)c3cnc4ccccn34)C(F)(F)F)N5CCN(CC5)C(=O)C,CHEMBL1809196,3.7
+COc1cc(ccc1Nc2ncc(C)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1809195,2.9
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4cc(F)ccn34)N5CCN(CC5)C(=O)C,CHEMBL1809204,3.7
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(C)cccn34)N5CCN(CC5)C(=O)C,CHEMBL1809199,3.2
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CCNCC5,CHEMBL1809061,2.4
+COc1cc(ccc1Nc2ncc(C#N)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1806525,2.8
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4cc(CO)ccn34)N5CCN(CC5)C(=O)C,CHEMBL1809207,3.1
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4cc(ccn34)C#N)N5CCN(CC5)C(=O)C,CHEMBL1809221,2.3
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(CO)cccn34)N5CCN(CC5)C(=O)C,CHEMBL1809202,3.1
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4cc(Cl)ccn34)N5CCN(CC5)C(=O)C,CHEMBL1809222,4.2
+COc1cc(ccc1Nc2ncc(Br)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1809194,3.7
+COc1cc(ccc1Nc2ncc(OC)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1809197,3.2
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4c(N)cccn34)N5CCN(CC5)C(=O)C,CHEMBL1809201,3.4
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4cc(C)ccn34)N5CCN(CC5)C(=O)C,CHEMBL1809205,3.3
+COc1cc(ccc1Nc2nccc(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1809192,3.0
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CCN(CC5)C(=O)C,CHEMBL1809044,3.65
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CCN(CCS(=O)(=O)C)CC5,CHEMBL1809064,3.1
+OC(=O)[C@@H](Cc1ccccc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158836,2.5
+Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl,CHEMBL2158792,2.08
+OC(=O)[C@H](Cc1ccccc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158835,2.5
+Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2)ccc1Cl,CHEMBL2158782,2.54
+OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccccc4)C(=O)O)CC2)cc1Cl,CHEMBL272842,0.8
+OC(=O)[C@H](Cc1ccc(F)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158841,2.98
+COc1ccccc1C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O,CHEMBL2158775,2.77
+OC(=O)[C@H](Cc1cccc(F)c1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158840,2.68
+OC(=O)[C@H](Cc1ccccc1C#N)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158769,2.12
+OC(=O)[C@H](Cc1ccc(F)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)cc4)CC2,CHEMBL2158778,1.9
+OC(=O)[C@H](Cc1cccc(c1)C#N)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158770,2.26
+Cc1ccccc1C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O,CHEMBL2158772,2.54
+OC(=O)[C@H](Cc1ccccc1F)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158839,2.58
+OC(=O)[C@H](Cc1ccc(F)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)cc4Cl)CC2,CHEMBL2158779,2.6
+Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O)cc1,CHEMBL2158774,3.01
+Cc1cccc(C[C@H](N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)C(=O)O)c1,CHEMBL2158773,2.84
+Cc1cc(F)ccc1OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2,CHEMBL2158781,1.81
+Cc1cc(Cl)ccc1OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2,CHEMBL2158780,2.53
+Cc1c(Cl)c(ccc1OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2)C#N,CHEMBL2158785,2.19
+Cc1c(Cl)c(Cl)ccc1OC2CCN(CC3CCN(CC3)[C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC2,CHEMBL2158790,2.98
+OC(=O)[C@H](Cc1ccc(cc1)C#N)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158771,2.17
+OC(=O)[C@H](Cc1ccc(Cl)cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158838,2.86
+Cc1cc(F)ccc1OC2CCN(CC3CCN(CC3)[C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC2,CHEMBL2158793,2.0
+Cc1c(Cl)ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc4ccc(F)cc4)C(=O)O)CC2)c1Cl,CHEMBL2158783,3.15
+COCCNC(=O)c1cccc(Nc2ncc3cc(ccc3n2)c4ccncc4)c1,CHEMBL2335875,3.21
+COCCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335893,3.08
+COCCC(=O)Nc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335887,2.78
+COCCNCc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335881,1.86
+C[C@@H](NC(=O)C)c1ccc(Nc2ncc3cc(c(C)cc3n2)c4ccncc4)cc1,CHEMBL2335911,3.45
+CN(C)CCNCc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335883,1.4
+COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1C,CHEMBL2335876,2.78
+C[C@@H](NC(=O)C)c1ccc(Nc2ncc3cc(cc(C)c3n2)c4ccncc4)cc1,CHEMBL2335912,3.46
+COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccnc(C)c4)cc1,CHEMBL2335865,3.56
+COCCC(=O)N(C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335885,3.23
+COCCN(C)Cc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335882,2.65
+COCCC(=O)NC(C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335892,2.98
+CN(C)CCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335878,2.29
+C[C@@H](NC(=O)C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335896,3.18
+COc1cc2nc(Nc3ccc(cc3)[C@@H](C)NC(=O)C)ncc2cc1c4ccncc4,CHEMBL2335908,3.11
+COCCC(=O)N[C@@H](C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335894,3.05
+COCCOc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335886,3.1
+CC(=O)Nc1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335889,3.04
+C[C@H](NC(=O)C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335504,3.17
+CC(NC(=O)C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335895,3.1
+CN(C(=O)C)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4)cc1,CHEMBL2335888,2.88
+COc1cc(cc2cnc(Nc3ccc(cc3)[C@@H](C)NC(=O)C)nc12)c4ccncc4,CHEMBL2335907,2.73
+COCCNC(=O)c1ccc(Nc2ncc3cc(ccc3n2)c4ccncc4OC)cc1,CHEMBL2335866,3.14
+COc1cc2ncc(C(=O)N)c(Nc3ccc(F)cc3F)c2cc1NCCN(C)C,CHEMBL479445,1.91
+COc1cc2ncc(C(=O)N)c(Nc3cccc(Cl)c3F)c2cc1OC,CHEMBL520925,3.6
+COc1cc2ncc(C(=O)N)c(Nc3ccc(F)cc3)c2cc1OC,CHEMBL520742,2.82
+COc1cc2ncc(C(=O)N)c(Nc3ccc(F)cc3F)c2cc1OC,CHEMBL479847,2.95
+N(c1ccccc1)c2ccnc3ccccc23,CHEMBL1644358,2.78
+COc1cc2ncc(C(=O)N)c(Nc3cccc(Cl)c3)c2cc1OC,CHEMBL517544,3.5
+COc1cc2ncc(C(=O)N)c(Nc3ccccc3F)c2cc1OC,CHEMBL442591,2.81
+COc1cc2ncc(C(=O)N)c(Nc3ccc(F)c(Cl)c3)c2cc1OC,CHEMBL482000,3.22
+COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC,CHEMBL433936,2.64
+COc1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1NCCN(C)C)C(=O)N,CHEMBL521262,3.41
+COc1cc2ncc(C(=O)N)c(Nc3cc(C)ccc3F)c2cc1OC,CHEMBL521248,3.16
+COc1cc2ncc(C(=O)N)c(Nc3ccccc3Cl)c2cc1OC,CHEMBL450208,2.89
+COc1cc2ncc(C(=O)N)c(Nc3cccc(F)c3F)c2cc1OC,CHEMBL482192,2.82
+COc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OCCN(C)CCO)C(=O)N,CHEMBL481230,3.2
+COc1cc2ncc(C(=O)N)c(Nc3cccc(Cl)c3Cl)c2cc1OC,CHEMBL519779,3.4
+CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,CHEMBL682,2.9
+COc1cc2c(Nc3ccc(F)cc3F)c(cnc2cc1NCCN(C)C)C(=O)N,CHEMBL479447,1.71
+COc1cc2ncc(C(=O)N)c(Nc3cc(F)ccc3F)c2cc1OC,CHEMBL480825,2.9
+COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1,CHEMBL84803,3.5
+COc1cc2ncc(C(=O)N)c(Nc3ccccc3C)c2cc1OC,CHEMBL480057,3.4
+COc1cc2ncc(C(=O)N)c(Nc3ccc(C)cc3F)c2cc1OC,CHEMBL516601,3.34
+OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,CHEMBL146095,3.5
+Cc1c(Sc2ccc(Cl)cc2)c3c(NS(=O)(=O)C)cccc3n1CC(=O)O,CHEMBL1917433,0.21
+CC(C(=O)O)n1c(C)c(Sc2ccc(Cl)cc2)c3cc(Cl)ccc13,CHEMBL1917421,3.56
+CC(=O)Nc1ccc2c(c1)c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917436,0.2
+Cc1c(Sc2ccc(Cl)cc2)c3cc(Cl)ccc3n1CC(=O)O,CHEMBL1917419,2.87
+Cc1c(Sc2ccc(Cl)cc2)c3ccc(cc3n1CC(=O)O)S(=O)(=O)C,CHEMBL1917430,0.79
+Cc1c(Sc2ccc(Cl)cc2)c3cc(F)ccc3n1CC(=O)O,CHEMBL1917426,1.84
+COc1ccc(Sc2c(C)n(CC(=O)O)c3ccc(C)cc23)cc1,CHEMBL1917444,1.01
+Cc1ccc2c(c1)c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917418,2.18
+Cc1ccc2c(c1)c(Sc3ccccc3)c(CC(=O)O)n2C,CHEMBL1420171,1.74
+Cc1c(Sc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)S(=O)(=O)C,CHEMBL1917431,0.54
+Cc1c(F)ccc2c1c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917427,2.23
+Cc1ccc2c(c1)c(Sc3cccc(Cl)c3)c(C)n2CC(=O)O,CHEMBL1917441,1.85
+Cc1c(Sc2ccc(Cl)cc2)c3cccc(Cl)c3n1CC(=O)O,CHEMBL1917423,2.0
+Cc1c(Sc2ccc(Cl)cc2)c3ccc(Cl)cc3n1CC(=O)O,CHEMBL1917424,2.51
+Cc1ccc2c(c1)c(Sc3ccccc3Cl)c(C)n2CC(=O)O,CHEMBL1917442,1.71
+Cc1c(Sc2ccc(Cl)cc2)c3c(Cl)cccc3n1CC(=O)O,CHEMBL1917425,2.15
+Cc1ccc2c(c1)c(Sc3ccc(cc3)S(=O)(=O)C)c(C)n2CC(=O)O,CHEMBL1917443,-0.08
+Cc1c(Sc2ccc(Cl)cc2)c3c(cccc3n1CC(=O)O)S(=O)(=O)C,CHEMBL1917432,0.58
+CNC(=O)c1cccc2c1c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917435,-0.89
+CCN(C(=O)C)c1cccc2c1c(Sc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917434,1.61
+Cc1c(Sc2ccc(Cl)cc2)c3c(C#N)c(Cl)ccc3n1CC(=O)O,CHEMBL1917428,1.6
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)cc4Cl,CHEMBL2171046,1.52
+Fc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171034,1.79
+COc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171036,1.39
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)cc4,CHEMBL2171049,1.6
+Cc1cccc(c1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171042,1.84
+CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(C)c4Cl,CHEMBL2171014,2.0
+CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171037,1.7
+COc1ccccc1S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171040,0.89
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(F)c(F)c4,CHEMBL2171050,0.75
+CN(C)c1ccccc1S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171041,1.74
+CN(C(=O)N1CCC(CC1)N2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)S(=O)(=O)c4ccc(C)cc4,CHEMBL2171013,4.49
+Clc1cccc(c1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171043,2.62
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)cc4C,CHEMBL2171048,1.79
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4ccccc4)cc1Cl,CHEMBL2171033,1.5
+Cc1ccccc1S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171038,1.71
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4cccc(c4)C#N)cc1Cl,CHEMBL2171044,1.81
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)c4ccccc4Cl)cc1Cl,CHEMBL2171039,1.93
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(C)c4Cl,CHEMBL2171047,2.2
+Clc1ccc(cc1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171035,2.59
+FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171045,2.94
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NCc4ccc(Cl)cc4,CHEMBL598194,2.88
+CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325735,2.1
+CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325736,2.2
+COc1ccc(cc1OC)C(C)NC(=O)C2(N)CCN(CC2)c3ncnc4[nH]ccc34,CHEMBL2325991,1.8
+CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325732,2.4
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(F)cc4,CHEMBL2325987,2.4
+C[C@@H](NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325742,3.3
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325997,2.7
+C[C@H](NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325743,2.67
+CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325731,2.4
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccccc4,CHEMBL2325986,2.17
+CN(Cc1ccc(Cl)cc1)C(=O)C2(N)CCN(CC2)c3ncnc4[nH]ccc34,CHEMBL597803,2.8
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CS(=O)(=O)N)c4ccc(Cl)cc4,CHEMBL2325733,2.2
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CCO)c4ccc(Cl)cc4,CHEMBL2325738,2.5
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(cc4)S(=O)(=O)C,CHEMBL2325990,1.0
+CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325993,1.4
+NC(=O)C(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325730,2.2
+COCCC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccc(Cl)cc4,CHEMBL2325740,2.95
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CO)c4ccc(Cl)cc4,CHEMBL2325737,2.4
+COc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164688,2.4
+FC(F)(F)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164689,4.2
+Clc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164687,3.65
+CS(=O)(=O)c1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163349,1.5
+Fc1cccc2[nH]c3CCN(Cc3c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164685,3.2
+Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164678,3.0
+Cc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163583,2.99
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCc4[nH]c5ccccc5c4C3,CHEMBL2164682,2.66
+FC(F)(F)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163586,3.75
+Clc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163582,3.59
+CS(=O)(=O)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163591,1.7
+Brc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163584,3.12
+CC(C)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164690,4.1
+Fc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164683,3.03
+CS(=O)(=O)c1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163581,1.5
+Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2164684,2.99
+CCOc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163590,3.1
+FC(F)(F)Oc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2163589,4.01
+Clc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL329672,3.9
+COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC,CHEMBL235851,3.3
+Cc1ccccc1Nc2ncnc3ccccc23,CHEMBL91863,2.85
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(=O)N,CHEMBL207687,3.42
+COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC,CHEMBL553,3.35
+COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,CHEMBL127907,2.6
+COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC,CHEMBL56802,3.5
+COc1cc2ncnc(Nc3ccccc3)c2cc1OC,CHEMBL94191,3.04
+Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1,CHEMBL31815,3.7
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC,CHEMBL301018,3.67
+COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC,CHEMBL224013,3.1
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N,CHEMBL208118,3.44
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN(C)C,CHEMBL57990,2.9
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C,CHEMBL57759,3.26
+Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1,CHEMBL242541,2.64
+N(c1ccccc1)c2ncnc3ccccc23,CHEMBL289959,2.94
+COc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1,CHEMBL169473,3.1
+Cc1cccc(Nc2ncnc3ccccc23)c1,CHEMBL441083,3.21
+CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2F)nc3nc(N)sc13,CHEMBL2349324,4.5
+C[C@@H](O)[C@@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(N)sc13,CHEMBL389791,2.83
+CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc3nc(N)sc13,CHEMBL2349335,4.2
+C[C@H](CO)Nc1nc(SCc2ccccc2F)nc3nc(N)sc13,CHEMBL232846,3.12
+C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2)nc3nc(N)sc13,CHEMBL394799,3.31
+CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(N)sc13,CHEMBL380947,3.37
+CC(CO)(CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(N)sc13,CHEMBL389792,2.87
+CCC[C@H](CO)Nc1nc(SCc2ccccc2)nc3nc(N)sc13,CHEMBL2349339,3.8
+Nc1nc2nc(SCc3ccccc3)nc(N)c2s1,CHEMBL201800,3.1
+CC[C@H](CO)Nc1nc(SCc2ccccc2)nc3nc(N)sc13,CHEMBL274737,3.27
+Nc1nc2nc(SCc3cccc(F)c3F)nc(O)c2s1,CHEMBL370387,2.5
+C[C@H](CO)Nc1nc(SCc2ccccc2)nc3nc(N)sc13,CHEMBL271013,3.12
+CC[C@@H](CO)Nc1nc(SCc2ccccc2)nc3nc(N)sc13,CHEMBL383235,2.99
+CC(C)C[C@H](CO)Nc1nc(SCc2cccc(c2)C#N)nc3nc(N)sc13,CHEMBL2349329,3.9
+CNc1nc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2s1,CHEMBL245180,3.7
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(N)sc13,CHEMBL397237,3.29
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(NS(=O)(=O)C)sc13,CHEMBL429682,0.92
+CC[C@H](NC(=O)c1c(c(nc2ccccc12)c3ccccc3)S(=O)(=O)C)c4ccccc4,CHEMBL1682940,3.17
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3ccc(F)cc3)c4ccccc4,CHEMBL1682948,3.72
+CC[C@H](NC(=O)c1c([S+]([O-])C(C)C)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL1682957,3.81
+CC[C@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL44722,4.18
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2cc(Br)ccc12)c3ccccc3)c4ccccc4,CHEMBL1682965,3.18
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2cc(F)ccc12)c3ccccc3)c4ccccc4,CHEMBL1682961,3.62
+CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)c3cccc(F)c3)c4ccccc4,CHEMBL516441,4.05
+CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL480818,3.89
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2cc(CN(C)C)ccc12)c3ccccc3)c4ccccc4,CHEMBL1682967,2.75
+CC[C@H](NC(=O)c1c([S+]([O-])CC)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL1682956,3.45
+CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL10188,3.91
+CC[C@H](NC(=O)c1c(CC[S+](C)[O-])c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL1682945,3.15
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2cc(Cl)ccc12)c3ccccc3)c4ccccc4,CHEMBL1682962,3.07
+CC[C@H](NC(=O)c1c(CS(=O)(=O)C)c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL1682944,3.25
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3cccc(F)c3)c4ccccc4,CHEMBL1682947,3.14
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2c(F)cccc12)c3ccccc3)c4ccccc4,CHEMBL1682959,2.84
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3ccccc3)c4ccccc4,CHEMBL1682938,3.17
+CNCC[C@@H](Oc1ccccc1C)c2ccccc2,CHEMBL641,1.2
+CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2,CHEMBL1169388,1.89
+NC(=O)c1ccccc1OCc2ccccc2,CHEMBL59956,2.5
+CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2,CHEMBL153036,1.96
+CCCc1c(O)c(ccc1OCc2ccc(C(=O)O)c(Br)c2)C(=O)C,CHEMBL167226,2.3
+NCC[C@@H](Oc1cc(Cl)ccc1C#N)c2ccccc2,CHEMBL1738761,0.76
+OCCNCc1cc(Br)ccc1OCc2ccc(Cl)cc2,CHEMBL1626156,2.98
+CCCc1c(O)c(ccc1OCc2ccc(cc2)C(=O)O)C(=O)C,CHEMBL167059,2.1
+CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,CHEMBL41,1.92
+CNCC[C@@H](Oc1cc(OC)ccc1C#N)c2ccccc2,CHEMBL1789274,0.87
+CNCC[C@@H](Oc1cc(ccc1C#N)C(F)(F)F)c2ccccc2,CHEMBL1789224,1.3
+NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c2ccccc2,CHEMBL1789186,0.77
+OC(=O)CCc1ccc(OCc2cccc(Br)c2)cc1,CHEMBL1773254,1.67
+NCC[C@@H](Oc1ccc(Cl)cc1C#N)c2ccccc2,CHEMBL1789328,0.91
+CNCCC(Oc1ccccc1OC)c2ccccc2,CHEMBL295467,0.22
+ONC(=O)Cc1ccc(OCc2ccccc2)cc1,CHEMBL54429,1.92
+Nc1ccc(OCc2ccccc2)cc1,CHEMBL1351571,2.2
+COC(=O)CCCC(=O)Nc1ccc2C(=O)C(=O)c3ccccc3c2c1,CHEMBL50161,2.96
+Nc1ccc2c3ccccc3C(=O)C(=O)c2c1,CHEMBL417727,2.23
+COC(=O)CCC(=O)Nc1ccc2C(=O)C(=O)c3ccccc3c2c1,CHEMBL51781,2.72
+O=C1C(=O)c2ccccc2c3ccccc13,CHEMBL51931,2.6
+Nc1cccc2C(=O)C(=O)c3ccccc3c12,CHEMBL49236,2.31
+COC(=O)CCCCCCC(=O)Nc1ccc2C(=O)C(=O)c3ccccc3c2c1,CHEMBL298384,2.6
+Nc1ccc2C(=O)C(=O)c3ccccc3c2c1,CHEMBL51880,2.39
+Nc1ccc2c(c1)C(=O)C(=O)c3cc(N)ccc23,CHEMBL2094354,1.72
+CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)C(=O)c3ccccc23,CHEMBL51314,2.83
+CCCC(=O)Nc1ccc2c3ccccc3C(=O)C(=O)c2c1,CHEMBL51257,2.81
+[O-][N+](=O)c1ccc2C(=O)C(=O)c3ccccc3c2c1,CHEMBL50973,2.56
+COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c3cc(NC(=O)CCC(=O)OC)ccc23,CHEMBL51776,2.67
+COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)c3ccccc23,CHEMBL50347,2.9
+[O-][N+](=O)c1ccc2c(c1)C(=O)C(=O)c3ccccc23,CHEMBL433282,2.42
+Nc1cccc2c3ccccc3C(=O)C(=O)c12,CHEMBL52047,2.95
+[O-][N+](=O)c1cccc2C(=O)C(=O)c3ccccc3c12,CHEMBL50149,2.6
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1,CHEMBL99689,1.2
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1,CHEMBL430854,2.6
+CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1,CHEMBL100391,2.25
+CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#N)c3cc(Cl)ccc3Cl)cc1,CHEMBL430507,2.4
+CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#C)c3cc(Cl)ccc3Cl)cc1,CHEMBL322019,3.2
+CN(C)CC(O)COc1ccc(Nc2ncc(C)c(Nc3ccccc3)n2)cc1,CHEMBL101473,2.0
+Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(=O)(=O)N)n2)c1,CHEMBL103355,3.1
+OC(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1,CHEMBL404687,1.65
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,CHEMBL101311,2.9
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1,CHEMBL102047,1.58
+N(c1ccccc1)c2ccnc(Nc3ccccc3)n2,CHEMBL578061,4.06
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1,CHEMBL317629,2.5
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3Cl)n2)cc1,CHEMBL99948,2.6
+CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3F)n2)cc1,CHEMBL101468,2.1
+NC(=O)Nc1cc(sc1C(=O)N)c2cccc(O)c2,CHEMBL1831079,2.21
+NC(=O)c1sc(cc1N)c2ccccc2,CHEMBL207028,2.33
+CN(CCO)Cc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL452274,0.97
+CNC(=O)c1cc(sc1NC(=O)N)c2ccccc2,CHEMBL488238,3.19
+NC(=O)c1sc(cc1N)c2ccc(Cl)cc2,CHEMBL444884,3.3
+NC(=O)Nc1sc(cc1C(=O)N)c2ccccc2,CHEMBL404609,2.42
+COCCOCCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL452791,2.21
+CNC(=O)Nc1cc(sc1C(=O)N)c2ccccc2,CHEMBL383723,2.71
+NC(=O)c1cc(sc1N)c2ccccc2,CHEMBL382565,2.7
+CN(C)CCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL452021,1.16
+CN(C)CCCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL452529,0.64
+NC(=O)Nc1cc(sc1C(=O)N)c2ccccc2,CHEMBL1831214,2.43
+COCCOc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL453222,2.34
+COCCNCc1ccc(cc1)c2cc(C(=O)N)c(NC(=O)N)s2,CHEMBL452273,0.87
+COc1ccc(cc1)C2=COc3cc(OC)cc(OC)c3C2=O,CHEMBL13097,3.05
+COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,CHEMBL131921,3.5
+COc1cc(O)cc2OC=C(C(=O)c12)c3ccc(O)cc3,CHEMBL1479463,2.0
+COc1ccc(cc1OC)C2=COc3cc(O)cc(O)c3C2=O,CHEMBL1300982,2.8
+Oc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)c(O)c3,CHEMBL241609,2.45
+Oc1cc(O)c2C(=O)C(=COc2c1)c3ccc(cc3)[N+](=O)[O-],CHEMBL203854,3.24
+Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,CHEMBL8145,2.46
+COc1ccccc1C2=COc3cc(O)ccc3C2=O,CHEMBL575073,2.55
+Oc1cc(O)c2C(=O)C(=COc2c1)c3ccc(F)cc3,CHEMBL283334,3.6
+Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,CHEMBL44,3.06
+CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,CHEMBL165790,4.07
+Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)c(O)c3,CHEMBL13486,1.88
+COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,CHEMBL242341,3.05
+CC1=C(C(=O)c2ccc(O)cc2O1)c3ccccc3,CHEMBL489340,2.95
+Nc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL129982,3.45
+Cc1ccccc1C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL130590,4.28
+OC(=O)CNCCNc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL550496,1.94
+COc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL340983,4.39
+COc1ccccc1C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL338579,4.43
+CNC[C@H](O)c1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL563379,1.41
+Clc1ccccc1C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL336619,4.05
+O=C(NCC12CC3CC(CC(C3)C1)C2)c4ccccc4,CHEMBL100539,4.21
+Brc1ccccc1C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL405790,4.15
+Nc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl,CHEMBL134194,3.29
+CN(C)C[C@H](O)Cc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL564535,2.19
+OCCCNCCCOc1ccc(Cl)c(c1)C(=O)NCC23CC4CC(CC(C4)C2)C3,CHEMBL550167,1.41
+Clc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1Cl,CHEMBL441479,4.37
+CN1CCN(CC1)C(=O)c2cc3cc(Br)ccc3[nH]2,CHEMBL128613,2.79
+CN1CCN(CC1)C(=O)c2cc3ccccc3n2C,CHEMBL128506,1.71
+CCN1CCN(CC1)C(=O)c2cc3cc(Cl)ccc3[nH]2,CHEMBL1513816,3.14
+CCN1CCN(CC1)C(=O)c2cc3cc(F)ccc3[nH]2,CHEMBL1323247,2.28
+CN1CCN(CC1)C(=O)c2cc3cc(Cl)ccc3[nH]2,CHEMBL129198,2.4
+O=C(N1CCNCC1)c2cc3ccccc3[nH]2,CHEMBL129660,0.6
+CN1CCN(CC1)C(=O)c2cc3ccccc3[nH]2,CHEMBL129199,1.7
+CN1CCN(CC1)C(=O)c2cc3cc(C)ccc3[nH]2,CHEMBL128088,2.22
+CN1CCN(CC1)C(=O)c2cc3cc(F)ccc3[nH]2,CHEMBL436381,1.97
+Clc1ccc2[nH]c(cc2c1)C(=O)N3CCNCC3,CHEMBL503605,1.65
+COc1ccc2[nH]c(cc2c1)C(=O)N3CCN(C)CC3,CHEMBL128637,1.62
+CCN1CCN(CC1)C(=O)c2cc3ccccc3[nH]2,CHEMBL128134,1.95
+CC1CN(CCN1)C(=O)c2cc3ccccc3[nH]2,CHEMBL341087,0.94
+CN(C)S(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207286,3.13
+Cc1cc(Cl)ccc1OC2CCN(C[C@H](O)CNC(=O)C3=CNC(=O)c4c(F)cccc34)CC2,CHEMBL2207657,3.0
+Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)C3=CNC(=O)c4cc(ccc34)S(=O)(=O)C)CC2)c1Cl,CHEMBL2207672,2.83
+O[C@H](CNC(=O)C1=CNC(=O)c2c(F)cccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207656,3.15
+CS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207671,2.63
+CS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(C#N)c(Cl)c4,CHEMBL2207670,1.41
+O[C@H](CNC(=O)C1=CNC(=O)c2ccccc12)CN3CCC(CC3)Oc4ccc(C#N)c(Cl)c4,CHEMBL2207669,2.56
+CNS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207284,2.77
+O[C@H](CNC(=O)C1=CNC(=O)c2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207666,3.42
+OCCNS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207281,2.06
+O[C@H](CNC(=O)C1=CNC(=O)c2ccc(F)cc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207280,3.93
+Cc1cc(Cl)ccc1OC2CCN(C[C@H](O)CNC(=O)C3=CNC(=O)c4cc(ccc34)S(=O)(=O)C)CC2,CHEMBL2207276,2.42
+NS(=O)(=O)c1ccc2C(=CNC(=O)c2c1)C(=O)NC[C@@H](O)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207282,2.17
+CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3Cl,CHEMBL1916264,0.65
+CCC(C)NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916280,0.66
+CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916082,0.79
+C[C@@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(C)(C)C,CHEMBL1916283,1.2
+CNC(=O)c1cnn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916083,-0.54
+CC(NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(C)(C)C,CHEMBL1916281,1.21
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(cc2)C#N)c3ccc(F)cc3)C(C)(C)C,CHEMBL1916288,0.45
+Cc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)NCC(C)(C)C)c(C)nn2c3ccccc3,CHEMBL1916279,1.46
+C[C@H](NC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)n(nc1C(F)(F)F)c3ccccc3)C(C)(C)C,CHEMBL1916284,2.35
+CC(C)NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916273,0.46
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3)C(C)(C)C,CHEMBL1916282,1.44
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c3ccc(F)cc3)C(C)(C)C,CHEMBL1916289,2.35
+CCC(CC)NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916272,1.35
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4ccc(cc34)C(F)(F)F,CHEMBL384962,1.78
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4cc(Cl)ccc34,CHEMBL212777,1.59
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(F)cccc34,CHEMBL213854,0.53
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(Cl)cccc34,CHEMBL378730,1.27
+COc1cccc2c(ccnc12)c3c(C)n(CC(=O)O)c4ccc(C)cc34,CHEMBL211631,0.49
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(cccc34)C#N,CHEMBL213495,0.52
+Cc1ccc2c(c(C)n(CC(=O)O)c2c1)c3ccnc4cc(Cl)ccc34,CHEMBL378094,2.41
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(cccc34)S(=O)(=O)C,CHEMBL213494,-0.34
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3cc(C)nc4ccccc34,CHEMBL211677,2.88
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(cccc34)C(F)(F)F,CHEMBL214350,1.27
+COc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4cc(Cl)ccc34,CHEMBL379828,1.16
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4cc(ccc34)C(F)(F)F,CHEMBL214304,1.78
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)c3ccnc4c(C)cccc34,CHEMBL209689,1.29
+Clc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824042,1.33
+Brc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824031,1.42
+CCS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824038,-0.11
+Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824030,0.52
+O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1,CHEMBL1824041,0.23
+CC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824040,0.37
+Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824043,0.9
+COC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824034,0.83
+CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824036,-0.51
+COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824044,0.87
+CN(C)S(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824035,0.15
+CC(O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824029,0.25
+FC(F)(F)Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1824039,1.82
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4ccccc4)c3)C(=O)NC1=O,CHEMBL2331746,1.49
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cccc(c4)C(F)(F)F)c3)C(=O)NC1=O,CHEMBL2331753,2.27
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cc(F)cc(Cl)c4)c3)C(=O)NC1=O,CHEMBL2331752,2.35
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4ccc(Cl)cc4)c3)C(=O)NC1=O,CHEMBL2331749,2.12
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cccc(Br)c4)c3)C(=O)NC1=O,CHEMBL2331751,2.3
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C(=O)NC1=O,CHEMBL2331742,-1.28
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4cccc(F)c4)c3)C(=O)NC1=O,CHEMBL2331748,1.6
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(CO)c(Oc4cccc(Cl)c4)c3)C(=O)NC1=O,CHEMBL2331754,2.69
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(C(=O)N)c(Oc4cccc(Cl)c4)c3)C(=O)NC1=O,CHEMBL2331743,1.96
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3cccc(Oc4ccccc4)c3)C(=O)NC1=O,CHEMBL2331738,2.32
+COc1ccc(cc1Oc2cccc(Cl)c2)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C)C(=O)NC4=O,CHEMBL2331745,2.73
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(O)c(Oc4ccc(Cl)c(C)c4)c3)C(=O)NC1=O,CHEMBL2331750,2.4
+CC1=CN([C@H]2CCCN(C2)S(=O)(=O)c3ccc(C(=O)O)c(Oc4ccc(Cl)c(Cl)c4)c3)C(=O)NC1=O,CHEMBL2331740,-0.87
+OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL234951,3.37
+OCC(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL397688,3.56
+OCCCN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL234950,3.49
+CN(C)C(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL232830,3.07
+NC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL395955,3.22
+OCC(CO)NC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL233238,2.61
+C[S+]([O-])CCN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL232433,3.17
+OC[C@H](O)CN1C(=O)[C@@H](Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL394527,3.27
+OC[C@@H](O)CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL396724,3.27
+ONC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL233034,2.4
+OC[C@H](O)CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL231835,3.3
+OCCN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL233447,3.05
+OCCNC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)sc4[nH]3,CHEMBL233035,3.05
+Fc1ccc(cc1C#N)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209658,2.71
+COc1ccc(cc1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209739,3.13
+Clc1cc(Cl)cc(c1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209655,3.36
+Brc1ccc(cc1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209736,3.21
+FC(F)(F)c1ccc(cc1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209737,4.29
+O=S(=O)(NCC(N1CCCCCC1)c2ccccc2)c3ccc(cc3)C#N,CHEMBL1209738,2.86
+FC(F)(F)c1cccc(c1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209586,3.12
+Fc1ccc(cc1F)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209656,2.84
+CCCS(=O)(=O)c1ccc(cc1)C(CNS(=O)(=O)c2ccc(cc2)C(F)(F)F)N3CCCCCC3,CHEMBL1209820,3.32
+Fc1ccc(cc1Cl)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209657,3.98
+Clc1cccc(c1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209587,3.39
+FC(F)(F)Oc1ccccc1S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209583,4.09
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccncc3)cn2,CHEMBL2086675,3.4
+Cc1cc(COc2cnc(nc2)N3CCN(CC3)C(=O)OC(C)(C)C)ccn1,CHEMBL2086676,3.7
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OCC(F)F,CHEMBL2086688,2.3
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OC(C)(C)C,CHEMBL2086684,3.33
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OCC(F)(F)F,CHEMBL2086687,3.0
+COc1cnccc1COc2cnc(nc2)N3CCN(CC3)C(=O)OC(C)(C)C,CHEMBL2086678,3.8
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccncc3F)cn2,CHEMBL2086679,3.6
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccncc3C#N)cn2,CHEMBL2086680,2.81
+Cc1cnccc1COc2cnc(nc2)N3CCN(CC3)C(=O)OC(C)(C)C,CHEMBL2086677,3.8
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3c(F)cncc3F)cn2,CHEMBL2086682,3.7
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)C(=O)OC(C)(C)C#N,CHEMBL2086686,2.3
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccncc3S(=O)(=O)C)cn2,CHEMBL2086681,2.4
+Nc1ccc2ncccc2c1,CHEMBL99408,1.33
+Oc1c(I)cc(I)c2cccnc12,CHEMBL86754,2.19
+CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,CHEMBL1535,0.77
+Nc1ccc2ccccc2n1,CHEMBL61236,1.7
+NC(=O)c1cc2ccccc2nc1N,CHEMBL206956,1.07
+OC(=O)c1ccc2cccc(O)c2n1,CHEMBL1368601,3.3
+[O-][N+](=O)c1cccc2ccc(nc12)C(Cl)(Cl)Cl,CHEMBL2042558,3.7
+c1ccc2ncccc2c1,CHEMBL14474,2.09
+Oc1cccc2ccc(nc12)C#N,CHEMBL2321985,1.81
+CCOC(=O)c1cnc2c(N)cccc2c1O,CHEMBL103482,0.9
+CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O,CHEMBL2110791,0.72
+Oc1ccnc2ccccc12,CHEMBL1232567,0.8
+CC(C)NC[C@H](O)COc1cccc2ccccc12,CHEMBL452861,0.99
+COc1ccc2cc(CCC(=O)C)ccc2c1,CHEMBL1070,3.06
+Oc1cccc2ccccc12,CHEMBL122617,2.5
+COc1ccc2cc(ccc2c1)C(C)C(=O)O,CHEMBL12952,0.23
+COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O,CHEMBL154,0.13
+CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)CC(=O)O,CHEMBL1230668,-1.45
+CN(C)c1cccc2c(cccc12)S(=O)(=O)N,CHEMBL119489,1.95
+Oc1ccc(Br)c2ccccc12,CHEMBL1822878,4.3
+c1ccc2ccccc2c1,CHEMBL16293,3.29
+CC(C)NC[C@@H](O)COc1cccc2ccccc12,CHEMBL275742,1.13
+CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12,CHEMBL822,2.83
+CN(C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(cc2Cl)C(F)(F)F)ccc1Cl,CHEMBL1164033,2.99
+CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c2ccc(Cl)cc2,CHEMBL1536083,4.03
+OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F,CHEMBL62136,4.5
+ONC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,CHEMBL98345,0.75
+CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c2ccc(Cl)cc2,CHEMBL252083,3.0
+COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N(C)c2ccccc2,CHEMBL1951164,1.1
+CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c2ccc(Cl)cc2,CHEMBL402561,3.4
+COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N(C(C)C)c2ccccc2,CHEMBL1951165,1.6
+Fc1ccc(F)c(NS(=O)(=O)c2ccc(Cl)cc2)c1,CHEMBL192666,2.9
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2)C(F)(F)F,CHEMBL163711,3.07
+CC(=O)Nc1ccc2nc(cc(O)c2c1)c3cccc(F)c3,CHEMBL115022,2.41
+COc1cccc2c(O)cc(nc12)c3ccccc3,CHEMBL15706,2.3
+COc1ccc(cc1)c2cc(O)c3cc(Cl)ccc3n2,CHEMBL14323,2.7
+COc1cccc(c1)c2cc(O)c3cc(NC(=O)C)ccc3n2,CHEMBL325681,2.41
+Oc1cc(nc2ccccc12)c3ccccc3,CHEMBL277148,2.54
+OC(=O)c1cc(nc2ccccc12)c3ccccc3,CHEMBL348000,-0.7
+Nc1cc(nc2ccccc12)c3ccccc3,CHEMBL50608,2.2
+Oc1ccc(cc1)c2ccc3cc(O)ccc3n2,CHEMBL59438,3.1
+c1ccc(cc1)c2ccc3ccccc3n2,CHEMBL89786,4.0
+Oc1cccc2nc(cc(O)c12)c3ccccc3,CHEMBL365458,3.37
+NS(=O)(=O)c1nc2ccccc2s1,CHEMBL168552,1.35
+CCCSc1nc2ccc(NC(=O)CCC(=O)O)cc2s1,CHEMBL2059000,0.5
+Nc1nc2ccc(F)cc2s1,CHEMBL98406,2.2
+CCOc1ccc2nc(N)sc2c1,CHEMBL565755,2.4
+NCCc1ccc(O)c2nc(O)sc12,CHEMBL17357,0.33
+CCOc1ccc2nc(NC(=O)CC)sc2c1,CHEMBL583390,3.4
+CCCSc1nc2ccc(NC(=O)CCNC(=O)N)cc2s1,CHEMBL2059005,2.9
+Nc1nc2ccccc2s1,CHEMBL329785,2.0
+Cc1nc2ccc(NC(=O)CCNC(=O)N)cc2s1,CHEMBL2059004,0.9
+Nc1nc2ccc(OC(F)(F)F)cc2s1,CHEMBL744,3.34
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(C)(C)C,CHEMBL1950851,3.12
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C(C)(C)C,CHEMBL1950842,1.46
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(cc2)C(F)(F)F)C1)C(C)(C)C,CHEMBL1950860,2.85
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(OC)cc2)C1)C(C)(C)C,CHEMBL1950854,1.45
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(O)cc2)C1)C(C)(C)C,CHEMBL1950858,0.77
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(Br)cc2)C1)C(C)(C)C,CHEMBL1950856,2.92
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1)C(C)(C)C,CHEMBL1950857,2.05
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(cc2)[N+](=O)[O-])C1)C(C)(C)C,CHEMBL1950859,1.54
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(C)(C)C,CHEMBL1950853,1.47
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2OC)C1)C(C)(C)C,CHEMBL1950852,1.61
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)c(Cl)c4,CHEMBL1288221,2.94
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)c(F)c4,CHEMBL1287892,2.17
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)cc4,CHEMBL1288164,2.01
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)cc4,CHEMBL1231626,2.78
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(F)cc4F,CHEMBL1288102,1.97
+COc1ccc(cc1)c2cc3c(N[C@H]4CCCNC4)ncc(C(=O)N)c3s2,CHEMBL1288009,1.82
+COc1cccc(c1)c2cc3c(N[C@H]4CCCNC4)ncc(C(=O)N)c3s2,CHEMBL1287979,1.82
+NC(=O)c1ccc(cc1)c2cc3c(N[C@H]4CCCNC4)ncc(C(=O)N)c3s2,CHEMBL1288278,0.28
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(sc13)c4ccc(Cl)c(F)c4,CHEMBL1288103,2.76
+Clc1cccc2cn[nH]c12,CHEMBL247367,2.33
+Fc1ccc2cn[nH]c2c1,CHEMBL247366,2.3
+Nc1n[nH]c2c(Cl)cccc12,CHEMBL1980161,1.7
+Clc1ccc2[nH]ncc2c1,CHEMBL246746,2.44
+[O-][N+](=O)c1ccc2[nH]ncc2c1,CHEMBL165372,2.2
+c1ccc2[nH]ncc2c1,CHEMBL86795,1.9
+Clc1cccc2[nH]ncc12,CHEMBL246533,2.5
+Nc1ccc2cn[nH]c2c1,CHEMBL594707,0.52
+COc1cccc2[nH]ncc12,CHEMBL15932,2.1
+NC(=O)c1cc(F)cc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1224139,2.14
+Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)cc(c1)C(=O)N,CHEMBL1224140,2.08
+NC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1223873,1.61
+CNC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1224286,1.93
+NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c(F)c1,CHEMBL1224216,2.1
+Cc1cc(ccc1O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C(=O)N,CHEMBL1224215,2.23
+Oc1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1224288,2.3
+Cc1c(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)cccc1C(=O)N,CHEMBL1224142,1.6
+NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1223951,1.76
+CCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1916269,0.36
+CCn1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934268,0.95
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2ccc(C)cc2)C(C)(C)C)C(C)(C)C,CHEMBL1934270,1.84
+CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934271,1.88
+COCCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934417,0.78
+C[C@H](NC(=O)c1c(C)nn(CC(F)(F)F)c1NS(=O)(=O)c2ccc(C)cc2)C(C)(C)C,CHEMBL1934269,0.93
+CC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934267,0.97
+CCC(CC)NC(=O)c1c(C)nn(C(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934266,0.92
+COCC(C)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c2ccc(C)cc2,CHEMBL1934416,0.61
+NC(Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL484901,-1.17
+CC(C)NCC(O)COc1cccc2[nH]ccc12,CHEMBL500,-0.12
+N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL292303,-0.92
+CCc1cccc2c(cn(CC(=O)NCCOC)c12)C#N,CHEMBL1560828,1.95
+CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,CHEMBL128,-0.96
+OC(=O)CSc1c[nH]c2ccccc12,CHEMBL1892245,-1.31
+Clc1ccc2[nH]ccc2c1,CHEMBL555013,3.28
+NCCCCCc1c[nH]c2ccc(F)cc12,CHEMBL1630742,0.6
+N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,CHEMBL54976,-1.08
+Fc1ccccc1COc2cc(OCCCN3CCCC3)ccc2C(=O)Nc4ccccc4,CHEMBL1824606,3.85
+Fc1cccc(COc2cc(OCCCN3CCCC3)ccc2C(=O)Nc4ccccc4)c1,CHEMBL1824608,3.67
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cccc(F)c4)c1,CHEMBL1824371,3.15
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cccc(c4)C#N)c1,CHEMBL1824373,2.41
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4C#N)c1,CHEMBL1824369,2.34
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccc(F)cc4)c1,CHEMBL1824364,3.2
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4)c1,CHEMBL1824363,3.07
+O=C(Nc1ccccc1)c2ccc(OCCCN3CCCC3)cc2OCc4ccccc4C#N,CHEMBL1824605,2.66
+CN(c1ccccc1)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762521,3.47
+COc1ccc(C)c(c1)N(C)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762527,3.18
+CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762530,2.94
+COc1cc(CO)cc(c1)N(C)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762529,3.0
+CN(c1cccc(CO)c1)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762528,2.6
+CC(C)N(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762548,3.9
+CCN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762547,3.8
+COCCN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762549,2.8
+CC(C)Oc1ccc(cc1)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C,CHEMBL365472,3.1
+COc1ccc(cc1OC)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2Br,CHEMBL184347,3.49
+COc1cc(cc(OC)c1OC)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C,CHEMBL186542,2.54
+COc1ccc(cc1)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C,CHEMBL184011,3.17
+CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(O)cc3)c2,CHEMBL186526,2.65
+COc1ccc(cc1OC)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C,CHEMBL413558,3.12
+COCCOc1ccc(cc1)C(=O)Nc2cc(NC(=O)c3cccc(c3)N(C)C)ccc2C,CHEMBL184189,2.74
+COc1ccc(cc1OC)C(=O)Nc2cccc(NC(=O)c3cccc(c3)N(C)C)c2,CHEMBL183843,3.67
+CCC(N(CCCN)C(=O)c1ccc(OC)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829409,1.39
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccc(Cl)cc4,CHEMBL1829249,2.32
+CCC(NC(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829442,4.14
+CCC(N(CCCN)C(=O)c1ccccc1)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829270,1.38
+CCC(N(CCCN)C(=O)c1ccc(cc1)C(C)C)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829408,2.72
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccc(C)cc4,CHEMBL1829250,1.69
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccc(OC)cc4,CHEMBL1829251,2.15
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829246,1.81
+COc1ccc(cc1)C2=C(C)c3ccc(OC)cc3OC2=O,CHEMBL1258188,3.31
+Oc1ccc(cc1)C2=Cc3ccc(O)cc3OC2=O,CHEMBL1915315,2.9
+Oc1ccc2OC(=O)C(=Cc2c1)c3ccccc3,CHEMBL467028,3.12
+O=C1Oc2ccccc2C=C1c3ccccc3,CHEMBL510349,3.22
+Oc1ccc(cc1)C2=Cc3cc(O)ccc3OC2=O,CHEMBL486894,2.9
+Oc1ccc(cc1)C2=Cc3ccccc3OC2=O,CHEMBL71271,3.0
+Oc1ccc(cc1)C2=Cc3cccc(O)c3OC2=O,CHEMBL1777848,2.8
+CC1=C(C(=O)Oc2cc(O)ccc12)c3ccc(O)cc3,CHEMBL1255978,2.8
+COCCS(=O)(=O)N1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnc(C)n4C(C)C)cc2,CHEMBL514384,2.75
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)S(=O)(=O)CCN(C)C)n2,CHEMBL477785,2.52
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C(=O)C)n2,CHEMBL477568,2.39
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C(=O)CN(C)C)n2,CHEMBL478241,3.31
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)N4CCN(CC4)C(=O)CO)ncc2F,CHEMBL476993,2.19
+C[C@H](O)C(=O)N1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnc(C)n4C(C)C)cc2,CHEMBL515311,2.15
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C(=O)CO)n2,CHEMBL477786,1.69
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCN(CC4)S(=O)(=O)C)n2,CHEMBL477567,2.57
+CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1,CHEMBL100675,2.16
+CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3cc(Cl)ccc3Cl)cc1,CHEMBL101119,2.1
+CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c3cc(Cl)ccc3Cl)cc1,CHEMBL100945,2.8
+CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c3ccc(C)cc3Br)cc1,CHEMBL421583,2.24
+CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1,CHEMBL322640,2.6
+CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1,CHEMBL317281,1.48
+CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c3cc(Cl)ccc3Cl)cc1,CHEMBL317378,2.1
+COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1,CHEMBL101779,1.5
+OC(=O)COc1ccc(cc1CN2CCN(CC2)S(=O)(=O)c3ccccc3)C(F)(F)F,CHEMBL1689110,0.4
+C[C@H]1CN(Cc2cc(Cl)ccc2OC(C)(C)C(=O)O)CCN1S(=O)(=O)c3ccccc3,CHEMBL1689134,0.54
+CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c3ccccc3,CHEMBL1689124,1.02
+CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c3ccccc3,CHEMBL1689123,0.44
+OC(=O)COc1ccc(Cl)cc1CN2CCN(CC2)S(=O)(=O)c3ccccc3,CHEMBL1689109,0.49
+OC(=O)COc1ccc(Cl)cc1CN2CCN(CC2)S(=O)(=O)c3ccc(F)cc3,CHEMBL1689117,0.99
+CC1CN(CCN1Cc2cc(Cl)ccc2OCC(=O)O)S(=O)(=O)c3ccccc3,CHEMBL1689122,0.69
+CC1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1S(=O)(=O)c3ccccc3,CHEMBL1689118,0.31
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)C)C(=O)C(F)(F)F,CHEMBL111955,1.77
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)N)C(=O)C(F)(F)F,CHEMBL109396,1.17
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC=O)C(=O)C(F)(F)F,CHEMBL66520,1.84
+CCNC1=CC=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1=O)c2ccccc2,CHEMBL325870,2.37
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)C(F)(F)F)C(=O)C(F)(F)F,CHEMBL323443,1.01
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)N)C(=O)C(F)(F)F,CHEMBL13923,1.74
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)C)C(=O)C(F)(F)F,CHEMBL418841,1.78
+CNS(=O)(=O)NC1=CC=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1=O)c2ccccc2,CHEMBL279250,1.79
+CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N,CHEMBL235191,0.82
+Cc1cccc(C(=O)N)c1NC(=O)c2ccccc2,CHEMBL151592,1.09
+Oc1ccc(NC(=O)c2ccc(O)cc2)cc1,CHEMBL333685,1.5
+Oc1ccc(Cl)cc1C(=O)Nc2ccccc2,CHEMBL1892375,2.9
+O=C(Nc1ccccc1)c2ccccc2,CHEMBL115523,2.8
+Oc1ccc(Cl)cc1C(=O)Nc2ccc(F)cc2F,CHEMBL2313078,3.6
+COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1,CHEMBL2005730,3.2
+Oc1ccccc1NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],CHEMBL229948,2.49
+Cc1nc(C)c(nc1C(=O)N)c2ccc([C@@H]3CC[C@@H](CC(=O)O)CC3)c(F)c2,CHEMBL2178942,1.3
+Cc1ncc(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](CC(=O)O)CC3,CHEMBL2178954,1.0
+Cc1ncc(nc1c2ccc(cc2)[C@@H]3CC[C@H](CC3)C(=O)O)C(=O)N,CHEMBL2178950,0.22
+Cc1nc(C)c(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](CC(=O)N)CC3,CHEMBL2178935,2.7
+Cc1nc(C)c(nc1C(=O)N)c2ccc([C@@H]3CC[C@H](CC(=O)O)CC3)c(F)c2,CHEMBL2178945,1.2
+Cc1nc(C)c(nc1C(=O)N)c2ccc([C@@H]3CC[C@H](CC(=O)O)CC3)c(Cl)c2,CHEMBL2178946,1.7
+Cc1nc(C)c(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](CCC(=O)O)CC3,CHEMBL2178941,1.6
+Cc1nc(C)c(nc1C(=O)N)c2ccc([C@@H]3CC[C@@H](CC(=O)O)CC3)c(Cl)c2,CHEMBL2178943,1.8
+C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3ccccc3,CHEMBL1689126,0.18
+C[C@H]1CN(Cc2cc(Cl)ccc2CCC(=O)O)CCN1C(=O)Cc3ccccc3,CHEMBL1689136,1.52
+C[C@H](Oc1ccc(Cl)cc1CN2CCN([C@@H](C)C2)C(=O)Cc3ccc(Cl)cc3)C(=O)O,CHEMBL1689133,1.66
+C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3ccc(Cl)cc3,CHEMBL1689128,1.21
+C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3ccccc3Cl,CHEMBL1689129,1.1
+C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@H](C)N1C(=O)Cc3ccccc3,CHEMBL1689125,0.7
+C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1C(=O)Cc3ccc(Cl)cc3,CHEMBL1689135,1.66
+C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc3cccc(Cl)c3,CHEMBL1689130,0.78
+Cn1cncc1c2c3C(=O)N(CC#C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56,CHEMBL1652588,3.16
+CC(C#C)N1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6cncn6C,CHEMBL2087854,3.59
+CC(C)N1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cncn6C)c3C1=O,CHEMBL2087853,4.02
+Cn1cncc1c2c3C(=O)N(CC#CCO)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56,CHEMBL2087846,2.55
+CC#CCN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6cncn6C,CHEMBL2087848,3.61
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cncn6C)c3C1=O,CHEMBL2087620,2.69
+CCN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cncn6C)c3C1=O,CHEMBL2087850,2.87
+Cn1cncc1c2c3C(=O)N(CC=C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56,CHEMBL2087847,3.62
+CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc3NC(=O)Sc13,CHEMBL2349312,4.3
+CC[C@H](CO)Nc1nc(SCc2ccccc2)nc3NC(=O)Sc13,CHEMBL2349334,3.22
+CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)C#N)nc3NC(=O)Sc13,CHEMBL2349318,3.7
+C[C@H](CO)Nc1nc(SCc2ccccc2)nc3NC(=O)Sc13,CHEMBL402986,2.86
+CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc3NC(=O)Sc13,CHEMBL2349321,4.2
+C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc3NC(=O)Sc13,CHEMBL403225,3.53
+C[C@H](CO)Nc1nc(SCc2ccccc2F)nc3NC(=O)Sc13,CHEMBL271012,3.0
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cc(C)cc(C)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951916,1.93
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cccc(c3)C(F)(F)F)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951918,1.9
+CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951907,1.63
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C(F)(F)F)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951908,3.39
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cccc(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951912,1.44
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3cc(Cl)cc(Cl)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1952100,2.6
+CCN(C1CCN(CC[C@H](C2CCN(CC2)S(=O)(=O)C)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951906,1.05
+COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1,CHEMBL73243,3.41
+CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1,CHEMBL70824,2.16
+CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1,CHEMBL71044,1.9
+Cc1nc2ccccn2c1c3ccnc(Nc4cccc(Cl)c4)n3,CHEMBL73189,2.7
+NS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1,CHEMBL73303,2.7
+CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1,CHEMBL72548,2.7
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C(CO)CO,CHEMBL1809057,3.1
+COc1ccc2c(c1)cc(C(=O)O)n2Cc3ccc(Cl)c(Cl)c3,CHEMBL340450,1.66
+CCc1c(C(=O)C(=O)N)c2c(OCC(=O)N)cccc2n1Cc3ccccc3,CHEMBL149434,2.1
+OC(=O)c1c(C#N)c2ccccc2n1Cc3ccc(Cl)c(Cl)c3,CHEMBL339670,1.26
+OC(=O)c1cc2ccccc2n1Cc3ccccc3,CHEMBL336399,0.78
+OC(=O)c1cn(Cc2ccccc2)c3ccccc13,CHEMBL1775161,1.19
+OC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)c(Cl)c3)C(F)(F)F,CHEMBL339851,3.07
+OC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)c(Cl)c3)[N+](=O)[O-],CHEMBL130936,1.79
+CCN(CC)c1ccc2C=C(C(=O)O)C(=O)Oc2c1,CHEMBL1303766,-0.2
+CCN(CC)c1ccc2C=C(C(=O)C)C(=O)Oc2c1,CHEMBL379350,2.0
+CC1=C(CCC(=O)O)C(=O)Oc2cc(O)ccc12,CHEMBL1350196,-0.7
+CC1=C(CCC(=O)O)C(=O)Oc2c(C)c(O)ccc12,CHEMBL190458,-0.3
+CCOC(=O)C1=Cc2ccc(O)cc2OC1=O,CHEMBL155103,1.2
+CCOc1ccc2C=CC(=O)Oc2c1,CHEMBL191528,2.2
+CC(=O)C1=Cc2ccc(O)cc2OC1=O,CHEMBL153064,0.87
+COc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3ccc(F)cc3,CHEMBL1576727,2.92
+COc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)c3ccc(F)cc3,CHEMBL1163879,2.92
+Cc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)c3ccc(Cl)cc3,CHEMBL1347379,3.79
+Fc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3ccc(F)cc3,CHEMBL1164374,2.9
+Fc1ccc(cc1)C(=O)N2CCC(CC2)C(=O)c3ccc(Cl)cc3,CHEMBL1545637,3.49
+Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)c3ccc(F)cc3,CHEMBL1164070,3.4
+Cc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)c3ccc(C)cc3,CHEMBL1576801,3.43
+COc1cc2nnc(C(=O)N)c(Nc3ccc(C)cc3F)c2cc1N4CCN(C)CC4,CHEMBL1683036,2.36
+CCOc1cc2nnc(C(=O)N)c(Nc3cccc(Cl)c3F)c2cc1N4CCN(C)CC4,CHEMBL1683033,1.99
+COc1cc2nnc(C(=O)N)c(Nc3cccc(Cl)c3F)c2cc1N4CCN(C)CC4,CHEMBL1683038,2.35
+COc1cc2nnc(C(=O)N)c(Nc3ccc(F)cc3F)c2cc1N4CCN(C)CC4,CHEMBL1683035,2.36
+CCOc1cc2nnc(C(=O)N)c(Nc3cc(C)ccc3F)c2cc1N4CCN(C)CC4,CHEMBL1683032,3.02
+COc1cc2nnc(C(=O)N)c(Nc3cc(C)ccc3F)c2cc1N4CCN(C)CC4,CHEMBL1683037,2.57
+CCOc1cc2nnc(C(=O)N)c(Nc3ccc(F)cc3F)c2cc1N4CCN(C)CC4,CHEMBL1683030,2.63
+NC(=N)NCCC[C@H](NC(=O)COCC(c1ccccc1)c2ccccc2)C(=O)O,CHEMBL389348,0.18
+CN(C)CCOC(c1ccccc1)c2ccccc2C,CHEMBL900,1.47
+NC(=O)C[S+]([O-])C(c1ccccc1)c2ccccc2,CHEMBL1373,1.12
+Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl,CHEMBL196585,3.86
+CN(C)CCOc1ccccc1Cc2ccccc2,CHEMBL186720,2.53
+NCC(O)(c1ccccc1)c2ccccc2,CHEMBL268263,0.9
+NCC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,CHEMBL1623092,2.69
+COc1cccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)c1,CHEMBL2036594,2.8
+CCOc1cccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)c1,CHEMBL2036595,3.6
+Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1F,CHEMBL2036590,2.9
+Fc1ccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)cc1,CHEMBL2036589,3.0
+O=C(Nc1ccc(nc1)N2CCOCC2)c3oc(Nc4ccccc4)nn3,CHEMBL2036587,2.9
+Fc1cccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)c1,CHEMBL2036588,3.2
+Cc1cccc(Nc2oc(nn2)C(=O)Nc3ccc(nc3)N4CCOCC4)c1,CHEMBL2036733,3.42
+CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)C,CHEMBL549344,1.24
+CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,CHEMBL383322,1.69
+CCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,CHEMBL373351,1.38
+CC(C)Cn1cnc2c(N)nc3ccccc3c12,CHEMBL1282,2.52
+CCc1nc2c(N)nc3ccccc3c2n1CC(C)C,CHEMBL413065,2.55
+CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)C,CHEMBL192307,3.82
+CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,CHEMBL1082983,2.37
+CCCN(C)c1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@@H](CC(=O)O)C3,CHEMBL2153304,2.28
+CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCCC(C3)C(=O)O,CHEMBL2153188,1.72
+CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@H](CC(=O)O)C3,CHEMBL2153190,2.18
+CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCCCC3C(=O)O,CHEMBL2153187,1.36
+CCCSc1nc(ccc1C(=O)NC2CCCCC2)N3CCC(CC3)C(=O)O,CHEMBL2153189,1.6
+CCCNc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@@H](CC(=O)O)C3,CHEMBL2153303,2.33
+CCCOc1nc(ccc1C(=O)NC2CCCCC2)N3CCC[C@@H](CC(=O)O)C3,CHEMBL2153302,2.81
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1,CHEMBL445162,3.13
+NS(=O)(=O)c1ccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)cc1,CHEMBL256348,2.7
+Clc1ccc2OCOc2c1Nc3ccnc(Nc4ccccc4)n3,CHEMBL402934,3.9
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4OCOc34)n2)c1,CHEMBL1270569,2.83
+CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)cc(c1)C(=O)N,CHEMBL498404,2.28
+NS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1,CHEMBL257553,2.97
+CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CC#N)c3c(Cl)ccc4OCOc34)c1,CHEMBL1271081,3.16
+CC(C)N1CCN(Cc2cnc(c(Cl)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1,CHEMBL258175,1.68
+CC(C)N1CCN(Cc2cnc(c(F)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1,CHEMBL256998,1.6
+CC(C)N1CCN(Cc2cnc(c3ccc(cc3)C(=O)Nc4ccccc4N)c(c2)C#N)CC1,CHEMBL258177,1.28
+CCN1CCN(Cc2cnc(c(Cl)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1,CHEMBL402542,1.81
+CCN1CCN(Cc2cnc(c3ccc(cc3)C(=O)Nc4ccccc4N)c(c2)C#N)CC1,CHEMBL256985,1.14
+CC(C)N1CCN(Cc2cnc(c(C)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1,CHEMBL258176,1.44
+CCN1CCN(Cc2cnc(c(C)c2)c3ccc(cc3)C(=O)Nc4ccccc4N)CC1,CHEMBL255244,1.2
+Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,CHEMBL509,2.33
+Cc1cccc(Nc2ccccc2C(=O)O)c1C,CHEMBL686,1.89
+Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,CHEMBL404108,1.02
+N(c1ccccc1)c2ccccc2,CHEMBL38688,3.2
+OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,CHEMBL23588,2.01
+OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,CHEMBL139,1.08
+COc1ccc(Nc2ccccc2C(=O)O)cc1,CHEMBL1596993,1.2
+CNC(=O)c1cc(c2nc(cc(n2)C3(CC3)S(=O)(=O)C)N4CCOCC4)c5cc[nH]c5c1,CHEMBL2325726,1.7
+Cc1ccc2[nH]ccc2c1c3nc(cc(n3)C4(CC4)S(=O)(=O)C)N5CCOCC5,CHEMBL2325719,1.7
+C[C@H]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)S(=O)(=O)C,CHEMBL2325696,2.8
+CC[C@@H]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)S(=O)(=O)C,CHEMBL2325698,3.0
+CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3cccc4[nH]ccc34)N5CCOCC5,CHEMBL2325704,2.2
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)S(=O)(=O)C,CHEMBL2325697,2.7
+COc1cc(c2nc(cc(n2)C3(CC3)S(=O)(=O)C)N4CCOCC4)c5cc[nH]c5c1,CHEMBL2325695,2.4
+CCCSc1nc(N[C@@H]2C[C@H]2c3ccccc3)c4nnn([C@@H]5C[C@H](O)[C@@H](O)[C@H]5O)c4n1,CHEMBL398295,3.97
+OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2nnc3c(N[C@@H]4C[C@H]4c5ccc(F)c(F)c5)nc(SCCC(F)(F)F)nc23,CHEMBL249789,3.99
+CCCSc1nc(N[C@@H]2C[C@H]2c3ccccc3)c4nnn([C@@H]5C[C@@H]([C@@H](O)[C@H]5O)C(=O)N)c4n1,CHEMBL266922,2.05
+OCCO[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2nnc3c(N[C@@H]4C[C@H]4c5ccc(F)c(F)c5)nc(SCCC(F)(F)F)nc23,CHEMBL249790,4.17
+CCCSc1nc(N[C@@H]2C[C@H]2c3ccccc3)c4nnn([C@@H]5C[C@H](CO)[C@@H](O)[C@H]5O)c4n1,CHEMBL250687,3.99
+CCCSc1nc(N[C@@H]2C[C@H]2c3ccccc3)c4nnn([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)c4n1,CHEMBL274713,3.87
+OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n2nnc3c(N[C@@H]4C[C@H]4c5ccccc5)nc(SCCC(F)(F)F)nc23,CHEMBL249584,4.06
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(cn6C)C#N)c3C1=O,CHEMBL257600,3.67
+Cn1cc(cc1c2c3C(=O)N(CC=C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2087862,4.27
+Cn1cc(cc1c2c3C(=O)N(CCO)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2087865,3.0
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(cn6C)S(=O)(=O)C)c3C1=O,CHEMBL469230,3.18
+CCN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6cc(cn6C)C#N,CHEMBL2087861,4.13
+Cn1cc(cc1c2c3C(=O)N(CC#N)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2087858,3.33
+Cn1cc(cc1c2c3C(=O)N(CC#C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2087856,3.96
+COc1ccccc1CNc2cc(C)ccn2,CHEMBL1455477,3.28
+COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,CHEMBL511,1.39
+Cc1ccnc(NCc2ccccc2)c1,CHEMBL1762482,3.08
+Cc1ccnc(NCc2ccc(Cl)cc2)c1,CHEMBL1306424,3.6
+CN(C)CCN(Cc1ccccc1)c2ccccn2,CHEMBL1241,1.28
+CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,CHEMBL255044,2.22
+Cc1ccnc(NCc2ccccc2O)c1,CHEMBL1517664,3.35
+COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)n[nH]1,CHEMBL1650728,2.6
+C[C@H](Nc1ncc(C)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3,CHEMBL1650725,1.75
+COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,CHEMBL1650723,2.53
+C[C@H](Nc1ncc(F)c(Nc2cc([nH]n2)N(C)C)n1)c3ncc(F)cn3,CHEMBL1650731,1.98
+C[C@H](Nc1ncc(Cl)c(Nc2cc([nH]n2)N(C)C)n1)c3ncc(F)cn3,CHEMBL1650730,2.33
+C[C@H](Nc1ncc(Br)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3,CHEMBL1650729,2.39
+C[C@H](Nc1ncc(F)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3,CHEMBL1650697,1.79
+CNC(=O)c1ccc(CC(=O)N(C)C2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1,CHEMBL2010834,2.8
+CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(NC(=O)C)cc3,CHEMBL2010835,2.9
+CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc3ccc(cc3)S(=O)(=O)C,CHEMBL2010851,2.7
+CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3F)S(=O)(=O)C,CHEMBL2010832,2.7
+CCN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3)S(=O)(=O)C,CHEMBL2010830,2.9
+CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(c(F)c3)S(=O)(=O)C,CHEMBL2010833,3.0
+CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3)S(=O)(=O)C,CHEMBL2010831,2.5
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)O)n4ccc(n4)C(F)(F)F,CHEMBL2059196,-0.99
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)N)n4ccc(n4)C(F)(F)F,CHEMBL2059375,1.81
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)O)n4nc(cc4C)C(F)(F)F,CHEMBL2059374,-0.88
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)NC)n4ccc(n4)C(F)(F)F,CHEMBL2059376,2.21
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C#N)n4ccc(n4)C(F)(F)F,CHEMBL2059377,2.62
+CC(C)NC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)O)n4ccc(n4)C(F)(F)F,CHEMBL2059198,-0.62
+CCCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C(=O)O)n4ccc(n4)C(F)(F)F,CHEMBL2059197,-0.79
+OC(=O)c1cccc(c1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158823,2.17
+OC(=O)Cc1ccc(cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158827,1.83
+OC(=O)COc1ccccc1N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158828,2.0
+OC(=O)Cc1cccc(c1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158826,1.58
+OC(=O)COc1cccc(c1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158829,1.99
+OC(=O)c1ccccc1N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158822,2.83
+OC(=O)c1ccc(cc1)N2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158824,2.31
+Nc1ccc(cc1)c2nc3ccc(O)cc3s2,CHEMBL93884,3.2
+Oc1ccc2nc(sc2c1)c3ccccc3,CHEMBL47361,3.99
+Oc1ccc(cc1)c2nc3ccc(O)cc3s2,CHEMBL44227,3.65
+Oc1ccc(cc1)c2nc3ccccc3s2,CHEMBL47875,4.1
+CNc1ccc(cc1)c2nc3ccc(O)cc3s2,CHEMBL93124,3.5
+Oc1cccc(c1)c2nc3ccc(O)cc3s2,CHEMBL44326,3.7
+Nc1ccc2nc(sc2c1)c3ccc(O)cc3,CHEMBL1337984,3.1
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2C)n1,CHEMBL2030960,0.34
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2F)n1,CHEMBL2030961,-0.05
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(F)cccc3Cl)C(=O)O)cc2)n1,CHEMBL2030800,-0.42
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)O)cc2)n1,CHEMBL2030806,0.52
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc2)n1,CHEMBL2030798,-0.31
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3ccc(F)cc3Cl)C(=O)O)cc2)n1,CHEMBL2030799,-0.04
+CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)n1,CHEMBL2030807,-0.15
+COc1cc(OC)c(cc1NC(=O)CSCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951080,-1.18
+COc1cc(OC)c(cc1NC(=O)COC(=O)C)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951076,2.07
+COc1cc(OC)c(cc1NC(=S)NCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951074,-1.04
+COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951073,1.97
+COc1cc(O)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL2207596,-0.27
+COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951079,-0.87
+COc1cc(OC)c(cc1NC(=O)NCC(=O)O)S(=O)(=O)N2C(C)CCc3ccccc23,CHEMBL1951075,-1.02
+COC(=O)c1ccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)cc1,CHEMBL226959,1.17
+CC(C)(C)NC(=O)Nc1cccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)c1,CHEMBL226780,1.77
+COC(=O)c1ccc(cc1)C(C)N2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3,CHEMBL226960,1.3
+COCCNC(=O)c1cccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)c1,CHEMBL227148,1.2
+CN(C)C(=O)Nc1ccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)cc1,CHEMBL227198,1.1
+COC(=O)c1cccc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)c1,CHEMBL389911,1.1
+OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,CHEMBL580,2.38
+CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-],CHEMBL13280,2.1
+CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,CHEMBL12,2.69
+[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1,CHEMBL452,3.72
+CC(C)[C@@H]1N=C(c2ccccc2)c3ccccc3NC1=O,CHEMBL1683689,3.05
+CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,CHEMBL968,2.38
+C=CCOc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669161,3.0
+CC(C)Oc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669159,3.0
+CC(C)COc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669160,3.8
+COc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669156,2.3
+CCOc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669158,2.8
+Oc1cc(ccc1NC(=O)CN2CCOCC2)c3cccc4C(=O)C=C(Oc34)N5CCOCC5,CHEMBL1669157,2.4
+FC(F)(F)c1cc(COCC(N2CCNCC2)c3cccc(Cl)c3)cc(c1)C(F)(F)F,CHEMBL419742,4.2
+Fc1cccc(c1)C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CCNCC3,CHEMBL139088,3.2
+COc1cccc(c1)C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CCNCC3,CHEMBL108200,3.1
+FC(F)(F)c1cc(COCC(N2CCNCC2)c3ccccc3)cc(c1)C(F)(F)F,CHEMBL109937,2.9
+Fc1ccc(cc1)C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N3CCNCC3,CHEMBL109514,3.0
+Brc1cc(Br)cc(COC[C@@H](N2CCNCC2)c3ccccc3)c1,CHEMBL108667,2.8
+CO[C@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@H]1NCc4cc5OCCOc5cn4,CHEMBL2165054,0.63
+COc1ccc2C=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1,CHEMBL1916539,1.31
+O[C@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@H]1NCc4cc5OCCOc5cn4,CHEMBL2164741,0.45
+COc1ccc2C(=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1)C,CHEMBL1916540,1.72
+CO[C@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@@H]1NCc4cc5OCCOc5cn4,CHEMBL2165058,1.05
+O[C@@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@@H]1NCc4cc5OCCOc5cn4,CHEMBL2164740,0.46
+c1ccc2ncncc2c1,CHEMBL301359,1.0
+COc1ccc2c(C)nc(NC(=N)N)nc2c1,CHEMBL581893,-0.51
+Nc1nc(N)c2cc(Br)ccc2n1,CHEMBL6549,1.78
+Nc1ncnc2ccccc12,CHEMBL266128,1.26
+Cc1cc2nc(NC(=N)N)nc(C)c2cc1C,CHEMBL528724,0.7
+Cc1nc(NC(=N)N)nc2ccccc12,CHEMBL602365,-0.49
+CCCc1cc(Nc2nc(NCc3onc(C)c3)ncc2Br)n[nH]1,CHEMBL2088094,3.63
+COCCCc1cc(Nc2nc(NCc3onc(C)c3)ncc2Br)n[nH]1,CHEMBL2088093,3.07
+Cc1cc(CNc2ncc(Br)c(Nc3cc(C)[nH]n3)n2)on1,CHEMBL2088091,2.92
+COCCCc1cc(Nc2ccnc(NCc3onc(C)c3)n2)n[nH]1,CHEMBL2088099,2.04
+Cc1cc(CNc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)on1,CHEMBL2088097,2.68
+Cc1cc(CNc2nccc(Nc3cc(C)[nH]n3)n2)on1,CHEMBL2088098,1.86
+COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2)c1,CHEMBL1945044,0.91
+COc1ccccc1CN(C)Cc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2,CHEMBL1945291,1.52
+COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2)cc1,CHEMBL1945289,0.86
+O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945041,1.85
+O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945042,0.69
+CCOc1ccccc1CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2,CHEMBL1945290,1.13
+Oc1cccc(c1)N2C(=O)c3ccc(O)cc3C2=O,CHEMBL388473,2.0
+Cc1cc(O)ccc1N2C(=O)c3ccc(O)cc3C2=O,CHEMBL242818,2.0
+Oc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c(F)c1,CHEMBL451496,2.1
+Oc1ccc(cc1)N2C(=O)c3ccccc3C2=O,CHEMBL388474,2.0
+Oc1ccc(cc1)N2C(=O)c3ccc(O)cc3C2=O,CHEMBL234524,1.8
+Oc1ccc2C(=O)N(C(=O)c2c1)c3ccccc3,CHEMBL276030,2.3
+Cc1ncc(CO)c(CO)c1O,CHEMBL1364,-0.58
+CC(C)NNC(=O)c1ccncc1,CHEMBL92401,0.33
+CCc1cc(ccn1)C(=S)N,CHEMBL1441,1.52
+CC(=O)Nc1ccccn1,CHEMBL12132,0.5
+Cc1cc(C)nc(N)c1,CHEMBL59925,0.85
+NNC(=O)c1ccncc1,CHEMBL64,-0.57
+Cc1c(Oc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)C(F)(F)F,CHEMBL1917455,2.28
+CC(=O)Nc1cccc2c1c(Oc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917457,-1.41
+CCS(=O)(=O)Nc1cccc2c1c(Oc3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917459,-0.29
+Cc1c(Oc2ccc(Cl)cc2)c3cc(F)ccc3n1CC(=O)O,CHEMBL1917454,1.26
+CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(=O)O)c3ccc(cc23)C(F)(F)F)cc1,CHEMBL1917458,0.29
+Cc1c(Oc2ccc(Cl)cc2)c3c(NS(=O)(=O)C)cccc3n1CC(=O)O,CHEMBL1917456,-0.98
+CCCCN(CCNC[C@H](O)c1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800660,2.51
+CCCN(CCNCCc1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800657,2.23
+CCN(CCNCCc1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800656,1.92
+CN(CCNC[C@H](O)c1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800472,1.21
+CCCCN(CCNCCc1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800659,3.0
+CC(C)N(CCNCCc1ccc(O)c2NC(=O)Sc12)C(=O)CCOCCc3ccccc3,CHEMBL1800658,2.33
+COc1ccc(cc1C(=O)N)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C,CHEMBL2336320,2.82
+C[C@@H]1CN(C[C@H](C)O1)c2nc(N3CCOC[C@@H]3C)c4ccc(nc4n2)c5ccccc5,CHEMBL2336331,3.75
+COc1ccc(cc1CNCCO)c2ccc3c(nc(nc3n2)N4C[C@@H](C)O[C@@H](C)C4)N5CCOCC5,CHEMBL2336327,1.31
+CNCc1cccc(c1)c2ccc3c(nc(nc3n2)N4C[C@@H](C)O[C@@H](C)C4)N5CCOCC5,CHEMBL2336329,1.26
+C[C@H]1COCCN1c2nc(N3CCOC[C@@H]3C)c4ccc(nc4n2)c5cccc(c5)C(=O)NCCO,CHEMBL2336326,2.49
+COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4C[C@@H](C)O[C@@H](C)C4)N5CCOCC5,CHEMBL1078983,3.25
+O[C@@H](CNCCSCCCNCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807823,0.12
+O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807826,1.21
+O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807829,2.2
+O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807827,0.98
+CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)cc1,CHEMBL1807824,0.86
+CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)cc1,CHEMBL1807825,0.41
+COc1ccc(cc1OC)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2171993,1.4
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4ccccc4,CHEMBL2171991,1.99
+Fc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2070936,2.12
+COc1ccc(cc1OC)N2CCN([C@H](C)C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2172005,1.85
+C[C@@H]1CN(CCN1C(=O)[C@@H]2CCCC[C@H]2C(=O)NC3(CC3)C#N)c4ccccc4,CHEMBL2172007,2.35
+COc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2171992,1.74
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2,CHEMBL2086650,3.27
+C[C@H]1CN(CCN1c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C,CHEMBL2086659,3.5
+C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3)C#N)cn2)C(=O)OC(C)(C)C,CHEMBL2086670,2.89
+C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3C#N)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C,CHEMBL2086673,3.3
+C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C,CHEMBL2086660,3.6
+C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cc3F)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C,CHEMBL2086672,3.7
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4ncc(C#N)s4,CHEMBL2070946,1.2
+CC(C)(C#N)c1cnc(s1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2070948,1.9
+CCc1csc(n1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2070940,2.1
+FC(F)(F)c1csc(n1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2070943,2.4
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4nccs4,CHEMBL2070938,1.3
+Cc1sc(nc1C(F)(F)F)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2070944,2.87
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)NCc4c(F)cccc4F,CHEMBL1163803,4.3
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)NCc4ccccc4,CHEMBL180184,4.0
+COc1ccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c4ccccc4)CC2)cc1,CHEMBL181858,3.6
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)NCc4ccc(cc4)S(=O)(=O)C,CHEMBL182380,2.86
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)NCc4ccccc4,CHEMBL183406,3.4
+CCN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)NCc4ccc(F)cc4,CHEMBL1163492,3.9
+FC(F)c1nc2ccccc2[nH]1,CHEMBL1502799,2.02
+NCc1nc2ccccc2[nH]1,CHEMBL303714,0.4
+CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,CHEMBL1483,3.24
+Fc1cc2[nH]cnc2cc1Cl,CHEMBL1430414,2.35
+OC(=O)c1ccc2[nH]c(nc2c1)C(F)(F)F,CHEMBL1385850,-1.08
+CSc1nc2cc(Cl)ccc2[nH]1,CHEMBL71936,3.22
+CC(=O)Nc1ccc2c(c1)c(cn2CCCO)c3cc(NC4CC4)n5ncc(C#N)c5n3,CHEMBL2062583,2.48
+CC(=O)Nc1ccc2[nH]cc(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1,CHEMBL2062581,2.65
+CC(=O)Nc1ccc2c(c1)c(cn2CCO)c3cc(NC4CC4)n5ncc(C#N)c5n3,CHEMBL2062582,2.71
+COC(=O)CCn1cc(c2cc(NC3CC3)n4ncc(C#N)c4n2)c5cc(NC(=O)C)ccc15,CHEMBL2062584,2.72
+CC(=O)Nc1ccc2c(c1)c(cn2C)c3cc(NC4CC4)n5ncc(C#N)c5n3,CHEMBL2062580,2.94
+CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(NC4CC4)n5ncc(C#N)c5n3,CHEMBL2062585,-0.87
+C[C@H](NC(=O)c1cccnc1Oc2ccccc2)c3ccccc3,CHEMBL190812,2.91
+COc1ccc(OC)c(CNC(=O)c2cccnc2Oc3ccccc3)c1,CHEMBL190747,3.52
+C[C@@H](NC(=O)c1cccnc1Oc2ccccc2)c3ccccc3,CHEMBL188369,3.14
+COc1ccc(Oc2ncccc2C(=O)NCc3ccccc3Cl)cc1,CHEMBL188504,3.59
+Clc1ccccc1CNC(=O)c2cccnc2Oc3ccccc3,CHEMBL186995,3.68
+O=C(NCc1ccccc1)c2cccnc2Oc3ccccc3,CHEMBL168418,3.0
+CC1CCCCC1NC(=O)c2cnn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4,CHEMBL1916276,1.34
+Cc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)NC3CCCCC3)c(C)nn2c4ccccc4,CHEMBL1916274,1.68
+CN(C1CCCCC1)C(=O)c2cnn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4,CHEMBL1916085,2.01
+Cc1ccc(cc1)S(=O)(=O)Nc2c(cnn2c3ccccc3)C(=O)NC4CCCCC4,CHEMBL1916084,0.8
+CC1CCCCC1NC(=O)c2c(C)nn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4,CHEMBL1916277,1.94
+CN(C1CCCCC1)C(=O)c2c(C)nn(c2NS(=O)(=O)c3ccc(C)cc3)c4ccccc4,CHEMBL1916275,1.69
+CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,CHEMBL570,3.59
+CN(C)CCCN1c2ccccc2Sc3ccccc13,CHEMBL564,2.56
+CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,CHEMBL71,3.37
+CC(CN1c2ccccc2Sc3ccccc13)N(C)C,CHEMBL643,2.67
+COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1,CHEMBL1764,2.99
+CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1,CHEMBL214637,2.19
+CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC,CHEMBL215275,2.12
+CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC,CHEMBL214849,1.28
+CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC,CHEMBL214848,1.94
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN(CCO)CC(C)C,CHEMBL216053,3.61
+CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1,CHEMBL2062563,3.29
+OCc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1,CHEMBL2062578,3.09
+CC(=O)Nc1cc2c(ccn2c3cc(NC4CC4)n5ncc(C#N)c5n3)cc1C,CHEMBL2062569,2.66
+CN(C(=O)C)c1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1,CHEMBL2062577,2.9
+CS(=O)(=O)Cc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1,CHEMBL2062579,2.49
+FC1(CCN(CC1)C(=O)COCc2ccncc2)c3ccc(Cl)cc3,CHEMBL1289574,3.03
+Clc1ccc(cc1)C2CCN(CC2)C(=O)COCc3ccncc3,CHEMBL1289349,2.74
+Fc1ccc(C2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1,CHEMBL1289465,2.7
+Clc1ccc(C2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1,CHEMBL1289466,2.63
+CC1(CCN(CC1)C(=O)COCc2ccncc2)c3ccc(Cl)cc3,CHEMBL1289575,2.79
+CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(C)c3F)c2n1,CHEMBL478240,3.0
+Cc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1,CHEMBL150245,2.04
+CCN(CC)c1ncnc2c1ncn2Cc3c(Cl)cccc3Cl,CHEMBL1528704,1.25
+Nc1ncnc2c1ncn2Cc3ccccc3,CHEMBL266094,1.53
+COCCNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1,CHEMBL206200,2.18
+CCCC(C)(COC(=O)N)COC(=O)NC(C)C,CHEMBL1233,2.01
+CCC(CO)NCCNC(CC)CO,CHEMBL25539,-1.42
+CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)C=O,CHEMBL304784,2.6
+CC(N)(COP(=O)(O)O)C(=O)O,CHEMBL1437137,2.5
+CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,CHEMBL1477036,2.93
+Cc1c[nH]c(\C=C\2/C(=O)Nc3ccccc23)c1CCC(=O)O,CHEMBL89363,1.2
+CN(C)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C,CHEMBL13976,1.75
+CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C,CHEMBL535,2.26
+CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(Cl)cc23)c1C,CHEMBL13485,2.75
+Cc1c(CCC(=O)O)c[nH]c1\C=C\2/C(=O)Nc3ccccc23,CHEMBL344319,1.05
+CS(=O)(=O)c1ccc(cc1)c2cc(C(=O)N[C@H]3CCCNC3)c(NC(=O)N)s2,CHEMBL520902,0.68
+NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccc(F)cc3,CHEMBL516784,1.76
+NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3cc(F)cc(F)c3,CHEMBL2078812,2.18
+CNC(=O)c1ccc(cc1)c2cc(C(=O)N[C@H]3CCCNC3)c(NC(=O)N)s2,CHEMBL487622,0.7
+NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccccc3,CHEMBL487273,1.27
+COc1ccc2N=CC(=O)N(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](O)C3)c2c1,CHEMBL2164746,0.39
+COc1ccc2N=CC(=O)N(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1,CHEMBL2165067,0.83
+CO[C@@H]1CN(CCN2C(=O)C=Nc3ccc(OC)cc23)CC[C@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2165061,0.97
+COc1ccc2N=CC(=O)N(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](O)C3)c2c1,CHEMBL2164747,0.37
+CO[C@H]1CN(CCN2C(=O)C=Nc3ccc(OC)cc23)CC[C@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2165057,0.51
+CCN1CCOc2cc(COc3ccccc3)cnc12,CHEMBL1682830,3.7
+COC(=O)N1CCOc2cc(COc3ccccc3)cnc12,CHEMBL1682832,2.5
+CS(=O)(=O)N1CCOc2cc(COc3ccccc3)cnc12,CHEMBL1682833,2.4
+CN1CCOc2cc(COc3ccccc3)cnc12,CHEMBL1681799,3.3
+CC(=O)N1CCOc2cc(COc3ccccc3)cnc12,CHEMBL1682834,2.8
+OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CHEMBL567,3.6
+OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CHEMBL726,3.8
+NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CHEMBL1187646,1.5
+CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,CHEMBL728,3.92
+CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,CHEMBL422,4.31
+Cc1ccc(cc1)S(=O)(=O)c2ccccc2,CHEMBL453261,2.74
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(F)cc2)C(F)(F)F,CHEMBL336923,3.12
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2)C(F)(F)F,CHEMBL140453,2.78
+Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,CHEMBL1043,0.88
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccccc2)C(F)(F)F,CHEMBL143181,2.98
+NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,CHEMBL789,0.97
+ONC(=O)Cc1ccc(Oc2ccccc2)cc1,CHEMBL1880028,2.03
+CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N)cc1F,CHEMBL2178284,2.87
+CC(C(=O)O)c1cccc(Oc2ccccc2)c1,CHEMBL1297,0.71
+CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,CHEMBL1072,-0.3
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(CCc3ccccc3)C2,CHEMBL1949685,1.65
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(CCc3cccc(F)c3)C2,CHEMBL1950849,2.64
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(CCc3ccccc3F)C2,CHEMBL1950848,2.51
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2,CHEMBL1950843,2.34
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(CCc3ccc(F)cc3)C2,CHEMBL1950850,2.39
+CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc([nH]n2)C3CC3)n1)c4ccc(F)cc4,CHEMBL456985,2.23
+OC[C@H](Nc1ncc(Cl)c(Nc2cc([nH]n2)C3CC3)n1)c4ccc(F)cc4,CHEMBL514257,3.75
+Fc1ccc(CNc2ncc(Br)c(Nc3cc([nH]n3)C4CC4)n2)cc1,CHEMBL517943,4.28
+Brc1cnc(NCc2ccccc2)nc1Nc3cc([nH]n3)C4CC4,CHEMBL496483,4.11
+C[C@H](Nc1nc(NC[C@@H](O)CO)c(Cl)c(Nc2cc([nH]n2)C3CC3)n1)c4ccc(F)cc4,CHEMBL456801,3.39
+OC(=O)c1cccc(c1)C(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171024,1.23
+OC(=O)CCCS(=O)(=O)c1cccc(c1)C(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171027,0.66
+OC(=O)c1ccccc1C(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171023,1.73
+Cc1c(Cl)ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)c4cccc(c4)S(=O)(=O)C)c1Cl,CHEMBL2171021,3.33
+OC(=O)COc1cccc(c1)C(=O)N2CCC(CC2)N3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2171022,1.09
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)cc(n1)N3CCOCC3)c4ncc(F)cn4,CHEMBL1650732,1.91
+COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N4CCOCC4)c2Cl)n[nH]1,CHEMBL1650737,2.85
+COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N4CCOCC4)n[nH]1,CHEMBL1650735,2.18
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(Cl)c(n1)N3CCOCC3)c4ncc(F)cn4,CHEMBL1650734,2.61
+COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N4CCOCC4)c2F)n[nH]1,CHEMBL1650736,2.64
+Cc1c(c2c(NS(=O)(=O)C)cccc2n1CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3,CHEMBL1917450,-0.83
+Cc1c(c2cc(F)ccc2n1CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3,CHEMBL1917447,-0.16
+Cc1ccc2c(c1)c(c(C)n2CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3,CHEMBL1917446,0.06
+COc1cccc(c1)S(=O)(=O)c2c(C)n(CC(=O)O)c3ccc(C)cc23,CHEMBL1917448,-0.42
+CC(=O)Nc1cccc2c1c(c(C)n2CC(=O)O)S(=O)(=O)c3ccc(Cl)cc3,CHEMBL1917449,0.4
+OC(=O)C(N1CCC(CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)CC1)c4ccccc4,CHEMBL2158819,2.17
+OC(=O)c1cccc(CN2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)c1,CHEMBL2158832,1.26
+OC(=O)c1ccccc1CN2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2,CHEMBL2158831,2.48
+OC(=O)[C@H](N1CCC(CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)CC1)c4ccccc4,CHEMBL2158821,2.14
+OC(=O)c1ccc(CN2CCC(CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4)CC2)cc1,CHEMBL2158833,1.1
+NC(=O)c1cc(O)cc2nc(oc12)c3ccc(O)cc3,CHEMBL365903,2.3
+Oc1ccc(cc1)c2oc3ccc(O)cc3n2,CHEMBL187392,3.4
+Oc1ccc(cc1)c2oc3cc(O)ccc3n2,CHEMBL187673,3.3
+Oc1ccc(cc1)c2oc3c(cc(O)cc3n2)C#N,CHEMBL186513,3.6
+CC(C(=O)O)c1ccc2oc(nc2c1)c3ccc(Cl)cc3,CHEMBL340978,1.3
+OCCN1CC=CC[C@@H](C1)c2ccc(Cl)c(Cl)c2,CHEMBL2326693,2.37
+Fc1ccc(cc1Cl)C2CNCC=CC2,CHEMBL2326686,1.33
+Clc1ccc(cc1Cl)[C@@H]2CNCC=CC2,CHEMBL2321999,1.95
+CN1CC=CCC(C1)c2ccc(Cl)c(Cl)c2,CHEMBL2321995,3.32
+Clc1ccc(cc1Cl)C2CNCC=CC2,CHEMBL2321998,1.86
+Nc1nccc(n1)c2ccccc2,CHEMBL1834385,2.0
+COc1ccc(cc1)c2ccnc(N)n2,CHEMBL2023704,2.08
+Nc1cc(ncn1)c2ccccc2,CHEMBL1770733,1.91
+Nc1nc(O)cc(n1)c2ccc(O)cc2,CHEMBL2205493,1.05
+COc1ccc(cc1)c2cc(O)nc(N)n2,CHEMBL2022881,1.52
+CNC(=O)[C@H]1CCCN1Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC,CHEMBL383760,3.65
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN4CCC[C@@H]4C(=O)N,CHEMBL208292,3.58
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN4CCC[C@H]4C(=O)N,CHEMBL207584,3.58
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN4CCC[C@H]4CC(=O)N,CHEMBL377772,2.64
+CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(=O)N,CHEMBL207235,3.09
+COc1ccc(OC)c(c1)c2cccc3c(N)c(nnc23)C(=O)NC(C)C,CHEMBL1783259,3.65
+CCCNC(=O)c1nnc2c(cccc2c1N)c3cc(C)ccc3OC,CHEMBL1783281,3.99
+COc1ccc(OC)c(c1)c2c(F)ccc3c(N)c(nnc23)C(=O)NC(C)C,CHEMBL1783275,3.77
+CCCNC(=O)c1nnc2c(cccc2c1N)c3ccccc3,CHEMBL1783246,3.8
+CCCNC(=O)c1nnc2c(c(F)ccc2c1N)c3ccc(OC)cc3OC,CHEMBL1783283,3.52
+CC(CN(C)C)CN1c2ccccc2CCc3ccccc13,CHEMBL644,2.95
+CN(C)CCCN1c2ccccc2CCc3ccccc13,CHEMBL11,2.49
+CNCCCN1c2ccccc2CCc3ccccc13,CHEMBL72,1.24
+NC(=O)N1c2ccccc2C[C@H](O)c3ccccc13,CHEMBL315985,0.79
+CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,CHEMBL415,3.36
+COc1ccc2N=CC(=O)N(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2c1,CHEMBL2164745,0.78
+COc1ccc2N=CC(=O)N(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1,CHEMBL2164744,0.77
+COc1ccc2N=CC(=O)N(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1,CHEMBL2164748,0.9
+CO[C@H]1CN(CCN2C(=O)C=Nc3ccc(OC)cc23)CC[C@@H]1NCc4cc5OCCOc5cn4,CHEMBL2165060,1.25
+COc1ccc2N=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1,CHEMBL1916542,0.93
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2ccccc2)NC(=O)OCC(F)(F)F)C(=O)C(F)(F)F,CHEMBL273449,2.37
+COC(=O)NC1=CN=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1=O)c2ccc(F)cc2,CHEMBL11336,1.82
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2ccc(F)cc2)N)C(=O)C(F)(F)F,CHEMBL428848,1.05
+CNC1=CN=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1=O)c2ccc(F)cc2,CHEMBL274567,1.86
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cc(F)cc(F)c2)N)C(=O)C(F)(F)F,CHEMBL262956,1.38
+CN1CCC(CC1)n2cc(c(C)n2)c3cnc(N)c(c3)c4oc5ccccc5n4,CHEMBL2023350,3.4
+Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCNCC5,CHEMBL1199988,1.85
+CN1CCC(CC1)n2cc(cn2)c3cnc(N)c(c3)c4oc5cc(F)ccc5n4,CHEMBL2078754,3.35
+COCC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(N)c(c3)c4oc5ccccc5n4,CHEMBL1199945,3.4
+Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCN(CC5)C(=O)CO,CHEMBL1200147,3.2
+Nc1nc(cs1)c2ccccc2,CHEMBL175296,2.43
+Nc1nc(cs1)c2ccc(Cl)cc2,CHEMBL1650273,3.31
+OC(=O)CSCC(=O)Nc1nc(cs1)c2ccc(F)cc2,CHEMBL2023265,-0.2
+NC(=O)Cc1nc(cs1)c2ccccc2,CHEMBL1519921,1.3
+Cc1sc(N)nc1c2ccccc2,CHEMBL172066,2.75
+CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945297,2.41
+COc1ccccc1CCNCc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2,CHEMBL1944693,0.82
+O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1947157,3.15
+O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1944691,1.06
+O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1944690,1.63
+CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC,CHEMBL8809,1.09
+CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC,CHEMBL22242,0.05
+CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,CHEMBL267044,-0.84
+CCN1CCC[C@H]1CNC(=O)c2cc(Br)cc(OC)c2OC,CHEMBL289330,1.2
+CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,CHEMBL26,-1.2
+Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,CHEMBL437,-0.37
+Clc1ccc(Cl)c(c1)S(=O)(=O)Nc2nccs2,CHEMBL294209,1.14
+Oc1ccc(cc1)S(=O)(=O)Nc2nccs2,CHEMBL26894,0.36
+CCN(CC)C(=O)Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)n1,CHEMBL341324,1.67
+CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1,CHEMBL1454596,1.32
+CC(C)COc1cccc(c1)C(=O)Nc2ccc(C)c(c2)C(=O)Nc3cccnc3,CHEMBL520252,2.81
+Cc1ccc(NC(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1C(=O)Nc3cccnc3,CHEMBL475865,2.83
+Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl,CHEMBL475817,3.26
+CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(c2)C(=O)Nc3cccnc3,CHEMBL480200,3.01
+COc1cncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)c1,CHEMBL473622,3.04
+OC(C(=O)c1ccc(F)cc1)c2ccc(F)cc2,CHEMBL244213,2.49
+Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1,CHEMBL193200,2.54
+Oc1ccc(C(=O)Cc2ccccc2)c(O)c1,CHEMBL1900501,3.09
+CC(O)(C(=O)c1ccccc1)c2ccccc2,CHEMBL2137932,2.92
+OC(C(=O)c1ccccc1)c2ccccc2,CHEMBL190677,2.13
+COc1cc2ncc(C(=O)N)c(Nc3ccc(F)cc3F)c2cc1N4CCN(C)CC4,CHEMBL480445,2.18
+CN1CCN(CC1)c2ccc3ncc(C(=O)N)c(Nc4ccc(F)cc4F)c3c2,CHEMBL481400,2.3
+CN1CCN(CC1)c2cc3c(Nc4ccc(F)cc4F)c(cnc3cc2F)C(=O)N,CHEMBL481596,2.63
+COCCOc1cc2ncc(C(=O)N)c(Nc3ccc(C)cc3F)c2cc1N4CCN(C)CC4,CHEMBL481205,2.24
+CN1CCN(CC1)c2ccc3ncc(C(=O)N)c(Nc4ccc(Cl)cc4Cl)c3c2,CHEMBL521407,3.23
+CN([C@@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010845,3.3
+CO[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@@H]1N(C)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010846,3.1
+CN([C@H]1CCN(Cc2ccc(cc2)C(F)(F)F)C[C@H]1F)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010844,3.3
+CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010836,3.0
+CO[C@H]1CN(Cc2ccc(cc2)C(F)(F)F)CC[C@H]1N(C)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010847,3.0
+CSc1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(CC3C5)C4,CHEMBL2177621,1.2
+CCc1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(CC3C5)C4,CHEMBL2177602,0.9
+Cc1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(CC3C5)C4,CHEMBL2177601,0.8
+OC(=O)c1ccc(cc1)n2ncc(C(=O)NC3C4CC5CC(CC3C5)C4)c2C(F)(F)F,CHEMBL2177607,1.5
+CC(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(CC3C5)C4,CHEMBL2177603,1.15
+COc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N,CHEMBL2171986,1.6
+CS(=O)(=O)c1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N,CHEMBL2171990,0.67
+Fc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NCC#N,CHEMBL2171984,1.92
+O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N2CCN(CC2)c3ccc(cc3)C#N,CHEMBL2171989,1.79
+O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N2CCN(CC2)c3ccccc3,CHEMBL2164676,1.75
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(N)cnc13,CHEMBL271703,2.89
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nccnc13,CHEMBL404057,3.15
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(C)cnc13,CHEMBL257659,3.55
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3ncc(C)nc13,CHEMBL403702,3.5
+CCn1c2ccccc2c3cc(NC(=O)C(C)C)ccc13,CHEMBL1547746,4.2
+CCn1c2ccccc2c3cc(NC(=O)C)ccc13,CHEMBL1570112,3.5
+OC(=O)CCn1c2ccccc2c3ccccc13,CHEMBL184817,0.6
+CCn1c2ccccc2c3cc(NC(=O)CN(C)C)ccc13,CHEMBL294286,3.2
+NC(Cc1ccccc1)c2ccccc2,CHEMBL351811,1.32
+Oc1ccc(CCc2ccc(O)cc2)cc1,CHEMBL577241,3.3
+C[C@](N)(Cc1ccccc1)c2ccccc2,CHEMBL447983,1.7
+C[C@@](N)(Cc1ccccc1)c2ccccc2,CHEMBL451286,1.7
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCNCC2)c3ccc(Cl)c(Cl)c3,CHEMBL126857,2.4
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCNCC2)c3ccccc3,CHEMBL415521,1.2
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCNCC2)c3ccccc3OC,CHEMBL278078,1.0
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCNCC2)c3cccc(c3)C(F)(F)F,CHEMBL339898,1.9
+CS(=O)(=O)n1c2ccccc2c3cc(NC(=O)N4CCOCC4)ccc13,CHEMBL443809,2.7
+CC(C)n1c2ccccc2c3c(C)c(NC(=O)N4CCOCC4)ccc13,CHEMBL325226,3.5
+CCn1c2ccccc2c3cc(NC(=O)N4CCOCC4)ccc13,CHEMBL119247,3.2
+CC(C)n1c2ccccc2c3cc(NC(=O)N4CCOCC4)ccc13,CHEMBL419951,3.55
+Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4,CHEMBL2036567,3.05
+Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(N4CCOCC4)c(F)c3,CHEMBL2036568,3.6
+O=C(Nc1ccc(cc1)N2CCOCC2)c3oc(Nc4ccccc4)nn3,CHEMBL2036746,3.15
+Cc1cc(NC(=O)c2oc(Nc3ccccc3F)nn2)ccc1N4CCOCC4,CHEMBL2036569,4.0
+CN1CC(c2ccccc2)c3cccc(N)c3C1,CHEMBL273575,2.08
+CN1CC(c2ccc(Cl)cc2)c3ccccc3C1,CHEMBL2206523,3.64
+CN1C[C@H](c2ccccc2)c3cccc(N)c3C1,CHEMBL400964,2.11
+CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1,CHEMBL51697,2.11
+CC(C)Nc1nc(nc(N2CCOCC2)c1N)C#N,CHEMBL471579,2.04
+CCC(C)Nc1nc(nc(N2CCOCC2)c1N)C#N,CHEMBL470897,2.8
+CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N,CHEMBL471757,3.08
+CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N,CHEMBL450061,2.79
+C[C@H]1O[C@H]([C@H](O)[C@H]1Cl)n2cnc3c(N)nc(OC4CCCC4)nc23,CHEMBL1807856,3.18
+Nc1nc(OC2CCCC2)nc3c1ncn3[C@@H]4O[C@H](CF)[C@@H](O)[C@H]4O,CHEMBL1807816,1.5
+Nc1nc(OC2CCCC2)nc3c1ncn3[C@@H]4O[C@H](CO)[C@H](Cl)[C@H]4O,CHEMBL1807858,2.16
+Nc1nc(OC2CCCC2)nc3c1ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O,CHEMBL1807815,0.79
+Cc1ccc(Oc2ccnc(Nc3ccc(cc3)S(=O)(=O)N)c2)c(C)n1,CHEMBL585367,2.47
+COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC,CHEMBL572823,3.19
+COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC,CHEMBL574621,2.66
+COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC,CHEMBL573735,3.21
+COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c3occc3CO)c(OC)c1,CHEMBL459353,1.37
+COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c3occc3C)c(OC)c1,CHEMBL513412,2.04
+COCc1ccoc1C(=O)N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)c3ccc(OC)cc3OC,CHEMBL469727,1.98
+COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c3occc3Cl)c(OC)c1,CHEMBL469728,2.18
+Nc1ccccc1NC(=O)c2ccc(cc2)C3CCN(Cc4ccccc4)CC3,CHEMBL254165,2.51
+CNC(=O)c1ccc(CN2CCC(CC2)c3ccc(cc3)C(=O)Nc4ccccc4N)cc1,CHEMBL264961,1.99
+CN(C)C(=O)c1ccc(CN2CCC(CC2)c3ccc(cc3)C(=O)Nc4ccccc4N)cc1,CHEMBL260200,1.53
+CCNC(=O)c1ccc(CN2CCC(CC2)c3ccc(cc3)C(=O)Nc4ccccc4N)cc1,CHEMBL412083,2.24
+CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1,CHEMBL2023117,3.42
+CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(F)ccc34)cc2OC)cn1,CHEMBL2023474,3.93
+CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2OC)cn1,CHEMBL2023475,3.88
+COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1,CHEMBL2023489,3.5
+Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)cc1Cl,CHEMBL2036757,3.57
+Clc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)c1,CHEMBL2036763,2.74
+Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)cc1Cl,CHEMBL2036762,3.37
+FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C4CC4)CC2)cc1Cl,CHEMBL2036760,4.06
+CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O,CHEMBL1752,-1.25
+CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C,CHEMBL628,0.22
+CN1C(=O)N(C)c2nc[nH]c2C1=O,CHEMBL190,-0.09
+CN1C(=O)N(C)c2ncn(C)c2C1=O,CHEMBL113,-0.03
+CN1C=C(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)C(=CC1=O)C(F)(F)F,CHEMBL2207665,2.76
+O[C@H](CNC(=O)C1=CNC(=O)C=C1C(F)(F)F)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2207662,2.71
+Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)C3=CNC(=O)C=C3C(F)(F)F)CC2)c1Cl,CHEMBL2207664,3.14
+Cc1cc(Cl)ccc1OC2CCN(C[C@H](O)CNC(=O)C3=CNC(=O)C=C3C(F)(F)F)CC2,CHEMBL2207663,2.37
+COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(c1)C(=O)Nc3ccc(cn3)C(=O)O,CHEMBL1778373,1.36
+COC[C@H](C)Oc1cc(Oc2ccccc2)cc(c1)C(=O)Nc3ccc(cn3)C(=O)O,CHEMBL1778365,0.95
+COC[C@H](C)Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc3ccc(cn3)C(=O)O,CHEMBL1778372,-0.41
+COC[C@H](C)Oc1cc(Oc2ccc(Cl)cc2)cc(c1)C(=O)Nc3ccc(cn3)C(=O)O,CHEMBL1778369,1.69
+C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O,CHEMBL850,-0.15
+COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(=O)O,CHEMBL31,-0.82
+OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C(=O)CC[N+](=O)[O-])c(F)cc3C1=O,CHEMBL1818381,0.22
+OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O,CHEMBL8,-0.96
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)c4noc(C)n4,CHEMBL2086692,2.6
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)c4noc(n4)C(F)F,CHEMBL2086694,2.85
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)c4noc(n4)C(F)(F)F,CHEMBL2086693,3.95
+CC(C)c1onc(n1)N2CCN([C@H](C)C2)c3ncc(OCc4ccncc4C#N)cn3,CHEMBL2086690,3.3
+COc1cc(cc(OC)c1OC)C(=O)c2cc(Cl)ccc2N,CHEMBL8953,3.38
+CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,CHEMBL571,-0.12
+Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],CHEMBL1324,0.74
+C[C@H](C(=O)O)c1cccc(c1)C(=O)c2ccccc2,CHEMBL75435,-0.06
+CS(=O)(=O)Cc1cc(nc(n1)c2cccc(CO)c2)N3CCOCC3,CHEMBL2030443,1.0
+CSCc1cc(nc(n1)c2ccccc2)N3CCOCC3,CHEMBL1299619,3.26
+CS(=O)(=O)Cc1cc(nc(n1)c2ccccc2)N3CCOCC3,CHEMBL2030440,1.94
+CS(=O)(=O)Cc1cc(nc(n1)c2ccc(NS(=O)(=O)C)cc2)N3CCOCC3,CHEMBL2030449,0.85
+CCOC(=O)c1c(nc2cc(C)ccn12)c3ccccc3,CHEMBL1468936,3.8
+Fc1ccc(cc1)c2cn3ccccc3n2,CHEMBL1524763,3.1
+Clc1ccc(cc1)c2cn3ccccc3n2,CHEMBL1526499,4.0
+c1ccc(cc1)c2cn3ccccc3n2,CHEMBL1720835,2.9
+CNc1c(Br)cnc2[nH]c(nc12)c3ccc(cc3)S(=O)(=O)C,CHEMBL2011908,2.88
+COc1ccc(cc1)c2nc3c(NCCCNC(=O)C)c(Br)cnc3[nH]2,CHEMBL2011928,3.28
+CNc1c(Br)cnc2[nH]c(nc12)c3ccc(O)cc3,CHEMBL2011906,2.47
+CNc1c(Br)cnc2[nH]c(nc12)c3cccc(N)c3,CHEMBL2011910,2.96
+CCCSc1ncccc1C(=O)N(C)[C@@H]2[C@@H]3CC4C[C@H]2C[C@@](O)(C4)C3,CHEMBL2153179,2.49
+CCCSc1ncccc1C(=O)N(C)[C@H]2[C@@H]3CC4C[C@H]2C[C@@](O)(C4)C3,CHEMBL2153180,2.48
+CCCSc1nc(NC)ccc1C(=O)N[C@@H]2C3CC4CC2C[C@@](O)(C4)C3,CHEMBL2158466,3.27
+CCCSc1ncccc1C(=O)N[C@@H]2[C@@H]3CC4C[C@H]2C[C@@](O)(C4)C3,CHEMBL2153178,2.27
+CCCCOc1nc(N)c2NC(=O)N(Cc3cccc(CC(=O)OC)c3)c2n1,CHEMBL1089224,3.76
+COCCOc1nc(N)c2NC(=O)N(Cc3cccc(CC(=O)OC)c3)c2n1,CHEMBL1089517,1.86
+COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1,CHEMBL210884,2.26
+CCCCOc1nc(N)c2NC(=O)N(Cc3cccc(CC(=O)O)c3)c2n1,CHEMBL1089518,0.14
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5ccc(cc5)C#N)ccc4C,CHEMBL2031227,2.73
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5ccccc5F)ccc4C,CHEMBL2031229,2.75
+COc1ccccc1C(=O)Nc2ccc(C)c(c2)N3C=Nc4ccc(cc4C3=O)N5CCN(C)CC5,CHEMBL2031224,2.93
+COc1cccc(c1)C(=O)Nc2ccc(C)c(c2)N3C=Nc4ccc(cc4C3=O)N5CCN(C)CC5,CHEMBL2031225,3.08
+Fc1cc(Cl)ccc1N2CCN(CC2)C(=O)COCc3ccncc3,CHEMBL1289114,2.55
+Fc1ccc(N2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1,CHEMBL1289113,2.63
+Clc1ccc(N2CCN(CC2)C(=O)COCc3ccncc3)c(Cl)c1,CHEMBL1289233,3.38
+Cc1cc(Cl)ccc1N2CCN(CC2)C(=O)COCc3ccncc3,CHEMBL1289232,3.22
+O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1944692,1.3
+O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1944695,1.11
+O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1944689,2.3
+COc1ccccc1CCNCc2ccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)cc2,CHEMBL1944694,0.8
+CCc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N,CHEMBL1957374,3.5
+Oc1c(C#N)c(nc2ccncc12)c3ccc(cc3)c4ccccc4C(F)(F)F,CHEMBL1955881,3.3
+CCOc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N,CHEMBL1957361,3.0
+Oc1c(C#N)c(nc2ccncc12)c3ccc(cc3)c4ccccc4OC(F)(F)F,CHEMBL1957366,3.45
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4cn(C)c(C)n4,CHEMBL2059869,2.71
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4c[nH]c(C)n4,CHEMBL2059867,2.97
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4c[nH]cn4,CHEMBL2059860,2.81
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4cn(C)cn4,CHEMBL2059866,2.54
+CS(=O)(=O)Nc1ccc(CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23)cc1,CHEMBL421604,1.34
+C[C@@H](COCCCS(=O)(=O)CCNCCc1ccc(O)c2nc(O)sc12)c3ccccc3,CHEMBL109614,2.32
+Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c3sc(O)nc13,CHEMBL82663,2.61
+Cc1ccccc1CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23,CHEMBL108246,2.84
+COc1ccccc1Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2,CHEMBL575492,3.37
+COc1cc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc(OC)c1OC,CHEMBL575099,3.22
+COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3c4ccccn4)ccn2)cc1,CHEMBL573287,3.51
+Cc1cc(Oc2ccnc(Nc3ccc(cc3)S(=O)(=O)N)c2)c(nc1C)c4ccccn4,CHEMBL578235,2.34
+CN1CCCC(CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036748,1.98
+CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036751,1.94
+CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036758,1.62
+CCN1CCC[C@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036752,1.86
+CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14,CHEMBL1232461,2.46
+CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14,CHEMBL2153435,2.42
+Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,CHEMBL646,2.34
+Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,CHEMBL661,1.98
+Oc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2,CHEMBL294878,3.2
+Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3,CHEMBL117,3.83
+Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3,CHEMBL138649,3.6
+Oc1ccc(cc1)C2=CC(=O)c3cc(O)ccc3O2,CHEMBL484663,3.3
+C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C,CHEMBL428777,3.67
+C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,CHEMBL250132,3.22
+COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1OC,CHEMBL371888,3.6
+C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO,CHEMBL258313,3.56
+OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4sc(Cl)c(Cl)c4[nH]3,CHEMBL1084762,2.53
+OC(=O)CO[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4sc(Cl)c(Cl)c4[nH]3,CHEMBL1083642,1.38
+OC(=O)CC(=O)N[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4sc(Cl)c(Cl)c4[nH]3,CHEMBL1084327,1.18
+OC(=O)CC[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4sc(Cl)c(Cl)c4[nH]3,CHEMBL1082704,2.84
+Oc1ccc(CCNCCCS(=O)(=O)NCCOCCc2cccc(Cl)c2)c3sc(O)nc13,CHEMBL322271,1.92
+Oc1ccc(CCNCCCS(=O)(=O)NCCOCCc2ccc(F)cc2)c3sc(O)nc13,CHEMBL108249,1.57
+Oc1ccc(CCNCCCS(=O)(=O)NCCOCCc2cccc(c2)C(F)(F)F)c3sc(O)nc13,CHEMBL321467,2.62
+Cc1ccc(CCOCCNS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)cc1,CHEMBL324875,2.07
+COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1,CHEMBL97,2.16
+COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4C=C)c2c1,CHEMBL522505,2.26
+COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,CHEMBL1294,2.21
+COc1ccc2nccc(C(O)C3CC4(CCN3CC4)C=C)c2c1,CHEMBL586906,2.08
+CCCNC[C@@H](O)COc1ccccc1C(=O)CCc2ccccc2,CHEMBL1788268,1.56
+O=C(CCc1ccccc1)c2ccccc2,CHEMBL490512,3.77
+CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,CHEMBL631,1.72
+CCCNC[C@H](O)COc1ccccc1C(=O)CCc2ccccc2,CHEMBL1322675,1.69
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4nccn4C,CHEMBL2059861,2.83
+Cc1cnc([nH]1)c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2,CHEMBL2059864,3.19
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc[nH]4,CHEMBL2059865,3.01
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc(C)n4C,CHEMBL2059862,2.67
+CCSc1c(Cc2ccccc2C(F)(F)F)sc3N(CC(C)C)C(=O)N(C)C(=O)c13,CHEMBL381098,4.49
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N(C)C,CHEMBL208330,2.9
+CC(C)CN1C(=O)N(C)C(=O)c2c(SCCCO)c(Cc3ccccc3C(F)(F)F)sc12,CHEMBL204887,4.05
+CC(C)CN1C(=O)N(C)C(=O)c2c(SC(C)C)c(Cc3ccccc3C(F)(F)F)sc12,CHEMBL206229,4.42
+Oc1cc(nc2ccnn12)c3ccccc3,CHEMBL346528,1.3
+Nc1cc(nc2c(cnn12)C#N)c3ccc(F)cc3,CHEMBL2062558,2.23
+COc1ccc(cc1)c2cc(N)n3ncc(C#N)c3n2,CHEMBL2062557,2.42
+Nc1cc(nc2c(cnn12)C#N)c3ccccc3,CHEMBL2062556,2.48
+CC(Nc1ncnc2ccccc12)c3ccccc3,CHEMBL1550278,3.4
+C(Nc1ncnc2ccccc12)c3ccccc3,CHEMBL102726,3.21
+COc1cc2ncnc(NCc3ccccc3)c2cc1OC,CHEMBL325245,3.29
+COc1cc2ncnc(NCc3cccc(C)c3)c2cc1OC,CHEMBL93173,3.5
+CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL103,3.94
+CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CHEMBL1170,3.3
+CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O,CHEMBL268313,3.3
+C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)CCC(=O)C=C14,CHEMBL1201173,3.25
+CO[C@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2165055,0.32
+O[C@@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2164742,0.11
+F[C@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2165066,0.66
+CO[C@@H]1CN(CCN2C(=O)C=Cc3ccc(cc23)C#N)CC[C@H]1NCc4ccc5OCC(=O)Nc5n4,CHEMBL2165059,0.81
+CC1(CC(=O)NC(=N1)N)c2ccc(Cl)c(Cl)c2,CHEMBL397162,1.59
+CC1(CC(=O)NC(=N1)N)c2ccccc2,CHEMBL238087,0.62
+NC1=NC(CC(=O)N1)c2ccc(Cl)c(Cl)c2,CHEMBL235763,1.46
+CN(C)CC(C)(C)COc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N4CCOCC4)ccc2C)n1,CHEMBL362902,2.2
+Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1Nc4ccnc(Cl)n4,CHEMBL185328,3.1
+CN(C)CCCOc1nccc(Nc2cc(NC(=O)c3ccnc(c3)N4CCOCC4)ccc2C)n1,CHEMBL186665,1.3
+CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3,CHEMBL1618018,-1.29
+CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3,CHEMBL517712,-0.66
+CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,CHEMBL9751,-0.09
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cncc(c3)C4=NNC(=O)O4)n5ccc(n5)C(F)(F)F,CHEMBL2059378,1.65
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3OC)C4=NNC(=O)O4)n5ccc(n5)C(F)(F)F,CHEMBL2059380,2.91
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cnc(OC)c(c3)C4=NNC(=O)O4)n5ccc(n5)C(F)(F)F,CHEMBL2059379,2.32
+COC[C@@H](O)CN1C(=O)C=NN(C1=O)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3,CHEMBL1779512,1.44
+OC1(CNC(=O)c2cc(ccc2Cl)N3N=CC(=O)NC3=O)CCCCCC1,CHEMBL560423,0.26
+COC[C@H](O)CN1C(=O)C=NN(C1=O)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3,CHEMBL1823817,1.46
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cc3cc(F)ccc3[nH]2,CHEMBL327504,3.5
+CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c2cc3cc(Cl)ccc3[nH]2,CHEMBL319136,3.6
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cc3ccccc3[nH]2,CHEMBL319165,3.4
+CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)C(F)(F)F)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951898,2.86
+CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)CC(F)(F)F)c3ccccc3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951899,1.8
+CCN(C1CCN(CC[C@H](N2CCN(CC2)S(=O)(=O)C)c3cc(F)cc(F)c3)CC1)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL1951909,1.25
+COc1ccc(C(CN2CCCC2)N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)c(OC)c1,CHEMBL110599,3.07
+CN(C(CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(Cl)c(Cl)c3,CHEMBL320882,3.38
+CN([C@H](CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(Cl)c(Cl)c3,CHEMBL38576,3.42
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2cccc(c2)C(=O)O)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F,CHEMBL325873,1.2
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)OCc3ccc(cc3)C(=O)O)C(=O)C(F)(F)F,CHEMBL280916,0.84
+COc1cc(OC)cc(c1)C2=CC=C(NC(=O)OCc3ccccc3)C(=O)N2CC(=O)NC(C(C)C)C(=O)C(F)(F)F,CHEMBL112880,2.26
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)ncc2F,CHEMBL460102,2.16
+CN[C@H]1CCN(C1)C(=O)c2ccc(Nc3nccc(n3)c4cnc(C)n4C(C)C)cc2,CHEMBL460087,1.22
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N4CC[C@H](C4)N(C)C)ncc2F,CHEMBL460103,2.36
+CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(F)cc4)c23)cc1,CHEMBL189181,4.28
+COc1ccc(OC)c(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(=O)(=O)C)c23)c1,CHEMBL188705,3.71
+CC(=O)Nc1ccc(CNc2[nH]nc3cccc(Oc4ccc(cc4)S(=O)(=O)C)c23)cc1,CHEMBL185658,2.63
+Nc1ncnc2c1ncn2[C@@H]3O[C@H](CSCCCNC(=O)Nc4ccccc4)[C@@H](O)[C@H]3O,CHEMBL2170989,1.9
+CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)cc1,CHEMBL2170992,2.5
+Nc1ncnc2c1ncn2[C@@H]3O[C@H](CSCCCNC(=O)Nc4ccc(Cl)cc4)[C@@H](O)[C@H]3O,CHEMBL2170994,2.5
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)NC4CCN(C)CC4)ncc2F,CHEMBL507722,2.13
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F,CHEMBL509406,2.41
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)NC4CCN(C)CC4)n2,CHEMBL455468,1.87
+CN1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F,CHEMBL521815,1.03
+CN1CCN(CC1)C(=O)c2cccc(CC3=NNC(=O)c4ccccc34)c2,CHEMBL523829,0.92
+CCC(=O)N1CCN(CC1)C(=O)c2cc(CC3=NNC(=O)c4ccccc34)ccc2F,CHEMBL494505,1.22
+CN(CCCOCCOCCc1ccccc1)CCc2ccc(O)c3nc(O)sc23,CHEMBL110999,2.44
+CCN(CCCOCCOCCc1ccccc1)CCc2ccc(O)c3nc(O)sc23,CHEMBL110855,2.45
+CCCN(CCCOCCOCCc1ccccc1)CCc2ccc(O)c3nc(O)sc23,CHEMBL110940,2.74
+CN(C)C(=O)N[C@@H]1CC[C@@H](CCN2CCN(CC2)c3cccc(Cl)c3Cl)CC1,CHEMBL2028019,3.6
+CN(C)C(=O)N[C@@H]1CC[C@@H](CCN2CCN(CC2)c3ccc(Cl)c(Cl)c3)CC1,CHEMBL2024676,3.15
+CN(C)C(=O)N[C@@H]1CC[C@@H](CCN2CCN(CC2)c3ccc(Cl)cc3)CC1,CHEMBL2024524,2.81
+CC(C)CN1C(=O)N(C)C(=O)c2cn(Cc3cccc4ccccc34)cc12,CHEMBL315970,4.41
+CC(C)CN1C(=O)N(C)C(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12,CHEMBL85752,4.36
+CC(C)N1C(=O)N(C)C(=O)c2cn(Cc3cccc4ccccc34)cc12,CHEMBL84597,3.97
+OC1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4,CHEMBL279261,1.5
+Oc1ccc(cc1)c2ccc(cc2)C3(O)CN4CCC3CC4,CHEMBL100913,0.95
+C1CN2CCC1C(C2)c3ccc(cc3)c4ccccc4,CHEMBL319077,1.76
+OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,CHEMBL896,3.08
+Clc1ccc(cc1)C(N2CCNCC2)c3ccccc3,CHEMBL81324,1.94
+OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,CHEMBL1000,1.27
+COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C,CHEMBL1428,3.8
+COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C,CHEMBL193,3.29
+COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OCC(C)C)C,CHEMBL1726,3.59
+Cc1[nH]c(C(=O)NC2CCN(CC2)c3nc(cs3)C(=O)O)c(Cl)c1Cl,CHEMBL1923434,0.14
+CONC(=O)c1cnc(s1)N2CCC(CC2)NC(=O)c3[nH]c(C)c(Cl)c3Cl,CHEMBL1923435,3.1
+Cc1[nH]c(C(=O)NC2CCN(CC2)c3ncc(s3)C(=O)O)c(Cl)c1Cl,CHEMBL1923433,0.02
+CCc1c(C)nc2sc(C(=O)N)c(N)c2c1C,CHEMBL1688537,2.62
+Cc1ccc2c(N)c(C#N)sc2n1,CHEMBL1575581,2.23
+CN(C)c1ccnc2sc(C(=O)N)c(N)c12,CHEMBL1409708,1.7
+N[C@@H]1CCCN(C1)c2c(Cl)cccc2\C=C\3/SC(=O)NC3=O,CHEMBL2048866,1.97
+CCOc1cccc(\C=C\2/SC(=O)NC2=O)c1N3CCC[C@@H](N)C3,CHEMBL2048869,1.86
+COc1cccc(\C=C\2/SC(=O)NC2=O)c1N3CCC[C@@H](N)C3,CHEMBL2048868,1.27
+Cn1cc(nc1c2c3C(=O)N(CC#C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2088115,3.4
+Cn1cc(nc1c2c3C(=O)N(CC=C)C(=O)N(CC4CC4)c3nn2Cc5ccnc6ccc(Cl)cc56)C#N,CHEMBL2088118,3.92
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c3C1=O)c6nc(cn6C)S(=O)(=O)C,CHEMBL467148,2.64
+C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C=C14,CHEMBL1200600,2.65
+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,CHEMBL384467,1.87
+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@@]4(C)C=CC(=O)C=C14,CHEMBL650,2.12
+CCN(CC)CC(=O)Nc1c(cnn1c2ccccc2)C#N,CHEMBL1543041,0.4
+Cc1cc(N)n(n1)c2ccccc2,CHEMBL1604278,1.25
+Cc1cc(C)n(n1)c2cccc(Cl)c2C#N,CHEMBL1441229,3.0
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccnc4ccccc34)c2C(=O)N5C[C@@H](O)[C@@H](O)C5,CHEMBL373974,1.18
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccnc4ccc(F)cc34)c2C(=O)N5CC[C@@H](O)C5,CHEMBL218468,1.95
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccnc4ccccc34)c2C(=O)N5CC[C@@H](O)C5,CHEMBL205742,1.65
+CC(C)Nc1nc(NCc2ccccc2)c3sccc3n1,CHEMBL1890087,3.9
+COc1cccc(CNc2nc(NC(C)C)nc3ccsc23)c1OC,CHEMBL1891338,3.7
+COCCNc1nc(NCc2ccccc2F)c3sccc3n1,CHEMBL1868114,3.4
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4,CHEMBL1223526,3.29
+NC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4,CHEMBL2012861,2.3
+OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc[nH]4,CHEMBL2012881,2.19
+NC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,CHEMBL49739,0.63
+COC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,CHEMBL48190,1.54
+OCCNC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,CHEMBL49722,0.42
+CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)c3ccc(F)cc3,CHEMBL440405,1.5
+NS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)c3ccc(F)cc3,CHEMBL257830,1.95
+Cc1c(c2ccc(O)cc2)n(C)c3ccc(O)cc13,CHEMBL442995,3.8
+COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1,CHEMBL457016,2.8
+CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1,CHEMBL515515,1.4
+CNS(=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4cccnn34)cc1,CHEMBL520003,2.8
+COc1ccc(cc1)S(=O)(=O)NC2=CC=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C2=O)c3ccccc3,CHEMBL303165,2.5
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)c3ccccc3)C(=O)C(F)(F)F,CHEMBL304354,2.26
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)c3cccc(NC(=O)C)c3)C(=O)C(F)(F)F,CHEMBL114868,2.43
+Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N5CCOCC5)N6CCOCC6)n3)c12,CHEMBL1270279,2.78
+C1CN(CCO1)c2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)cc(c2)N6CCOCC6,CHEMBL1271187,3.05
+CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCOCC4)n1)c5cccc6[nH]ncc56,CHEMBL1269858,3.23
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc4ccc(Cl)cc4)ccc1OCC(=O)O,CHEMBL1643196,1.38
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc4ccc(Cl)cc4Cl)ccc1OCC(=O)O,CHEMBL1643194,2.62
+Cc1cc(CN2Cc3ccccc3C2C(=O)Nc4cc(Cl)ccc4Cl)ccc1OCC(=O)O,CHEMBL1643195,2.19
+COc1ccnc(NC2CCN(CC2)C(=O)c3ccccc3)c1,CHEMBL112747,2.06
+COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(Cl)cc3)c1,CHEMBL112866,2.82
+COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1,CHEMBL114500,1.73
+CS(=O)(=O)Cc1cc(nc(n1)c2cccc3[nH]ccc23)N4CCOCC4,CHEMBL2030442,1.7
+CC(C)(c1cc(nc(n1)c2cccc3[nH]ccc23)N4CCOCC4)S(=O)(=O)C,CHEMBL2325703,2.65
+Cn1ccc2c(cccc12)c3nc(CS(=O)(=O)C)cc(n3)N4CCOCC4,CHEMBL2325702,2.0
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6oc(cc6Cl)S(=O)(=O)C)c3C1=O,CHEMBL469007,3.97
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6oc(cc6)S(=O)(=O)C)c3C1=O,CHEMBL513533,2.71
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6oc(cc6C)C#N)c3C1=O,CHEMBL2087622,4.34
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC4CCN(CC(=O)N)CC4,CHEMBL218677,3.1
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC4CCN(CC4)S(=O)(=O)C,CHEMBL387265,2.82
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC4CCN(C)CC4,CHEMBL214798,2.72
+COc1ccc(cc1)S(=O)(=O)Nc2ccccn2,CHEMBL1422545,0.87
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,CHEMBL1507581,0.24
+Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,CHEMBL700,-0.01
+CS(=O)(=O)n1c2ccccc2c3cc(NC(=O)CCc4ccncc4)ccc13,CHEMBL325486,3.4
+CCn1c2ccccc2c3cc(NC(=O)CCc4ccncc4)ccc13,CHEMBL325475,3.75
+Cn1c2ccccc2c3cc(NC(=O)CCc4ccncc4)ccc13,CHEMBL118973,3.8
+CC(C)Oc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c4ccc(F)cn4)n[nH]1,CHEMBL2151324,2.97
+CCOc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c4ccc(F)cn4)n[nH]1,CHEMBL2151325,2.55
+COc1cc(Nc2nc3c(cc2F)ncn3[C@@H](CO)c4ccc(F)cn4)n[nH]1,CHEMBL2151326,2.18
+NC(=N)Nc1ccc(cc1)C(=O)Oc2ccccc2,CHEMBL149324,-0.21
+NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc(cc2)[N+](=O)[O-],CHEMBL550687,0.5
+NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc(Cl)cc2,CHEMBL1184584,0.7
+CCn1cnc(c2ccccc2)c1c3nc4c(N)ncnc4s3,CHEMBL1079588,2.97
+Cn1cnc(c2ccccc2)c1c3nc4c(N)ncnc4s3,CHEMBL1076330,2.69
+CC(C)Cn1cnc(c2ccccc2)c1c3nc4c(N)ncnc4s3,CHEMBL1079590,3.72
+Cc1onc(C(=O)N)c1C(=O)Nc2nccs2,CHEMBL1213071,1.63
+Cc1onc(CO)c1C(=O)Nc2nccs2,CHEMBL1389402,1.53
+CC(=O)c1noc(C)c1C(=O)Nc2nccs2,CHEMBL1307677,1.94
+Cc1ccc2nc(CCNCCCO)ccc2c1NC(=O)CC34CC5CC(CC(C5)C3)C4,CHEMBL564366,1.18
+O=C(CC12CC3CC(CC(C3)C1)C2)Nc4cccc5ncccc45,CHEMBL1372682,3.83
+OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1,CHEMBL562308,1.79
+CC(C)NCC(O)COc1nccs1,CHEMBL2111158,-0.97
+NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1,CHEMBL902,-0.6
+CSc1nc(C(=O)N)c(N)s1,CHEMBL459219,1.21
+C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(n1)N3CCOCC3)c4ncc(F)cn4,CHEMBL1087399,2.26
+C[C@H](Nc1nc(Nc2ncc(C)s2)c(F)c(n1)N3CCOCC3)c4ncc(F)cn4,CHEMBL1080151,3.27
+C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N3CCOCC3)c4ncc(F)cn4,CHEMBL1088030,2.68
+CC1=C(Cc2ccccc2)C(=O)n3nc(NCc4ccc(Cl)cc4)nc3N1,CHEMBL1718949,3.7
+CC1=C(Cc2ccccc2)C(=O)n3nc(NCc4cccc(Cl)c4)nc3N1,CHEMBL1567398,3.6
+CC1=C(Cc2ccccc2)C(=O)n3nc(NCc4cccc(Br)c4)nc3N1,CHEMBL1397672,3.68
+Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,CHEMBL218713,3.6
+Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)[C@H](F)C2)cc1,CHEMBL2068839,3.21
+COc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1,CHEMBL217904,3.14
+Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c3ccc(cc3)S(=O)(=O)C4CC4)s1,CHEMBL499520,3.19
+O=C(Nc1nccs1)[C@H](CC2CCOCC2)c3ccc(cc3)S(=O)(=O)C4CC4,CHEMBL517534,2.55
+Fc1cnc(NC(=O)C(CC2CCOCC2)c3ccc(cc3)S(=O)(=O)C4CC4)s1,CHEMBL1164184,3.3
+c1ccc(nc1)c2nc3ccccc3[nH]2,CHEMBL72683,2.5
+Cc1cccc(n1)c2nc3cc(Cl)ccc3[nH]2,CHEMBL162203,4.1
+[O-][N+](=O)c1ccc2[nH]c(nc2c1)c3ccccn3,CHEMBL380979,2.8
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)Cc3ccccc3C(=O)O)C(=O)C(F)(F)F,CHEMBL324343,1.14
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)Cc3cccc(c3)C(=O)O)C(=O)C(F)(F)F,CHEMBL424620,0.68
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)Cc3ccc(cc3)C(=O)O)C(=O)C(F)(F)F,CHEMBL113725,0.35
+CCCSc1ncccc1C(=O)NC2CCCCC2,CHEMBL2153173,3.24
+CCCSc1ncccc1C(=O)NC2CCC(F)(F)CC2,CHEMBL2153176,2.85
+CCCSc1ncccc1C(=O)N(C)C2CCCCC2,CHEMBL2153175,3.36
+CN1CCN(CC1)S(=O)(=O)c2ccc(c3cnc(N)c(n3)C(=O)Nc4cccnc4)c(c2)C(F)(F)F,CHEMBL2177155,3.25
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2F)c3cnc(N)c(n3)C(=O)Nc4cccnc4,CHEMBL2177157,2.66
+CN1CCN(CC1)S(=O)(=O)c2ccc(c(C)c2)c3cnc(N)c(n3)C(=O)Nc4cccnc4,CHEMBL2182002,2.6
+C[Si](C)(C)C#Cc1cn(C[C@H]2CN(C(=O)O2)c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)nn1,CHEMBL369684,1.26
+Cc1cn(C[C@H]2CN(C(=O)O2)c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)nn1,CHEMBL179128,1.25
+Fc1cc(ccc1C2=CCS(=O)(=O)CC2)N3C[C@H](Cn4nncc4F)OC3=O,CHEMBL179190,3.54
+Clc1cccc(C(=O)N2CCN(CC2)c3ccccn3)c1Cl,CHEMBL1458496,2.98
+Cc1ccccc1C(=O)N2CCN(CC2)c3ccccn3,CHEMBL1448915,2.18
+C[C@@H](Oc1ccc(cc1C(=O)N2CCN(CC2)c3ncc(cc3F)C(F)(F)F)S(=O)(=O)C)C(F)(F)F,CHEMBL1169880,3.49
+CCCSc1c(cnn1c2ccc(cc2)C(=O)O)C(=O)N(C)C3CCCCC3,CHEMBL2177614,0.59
+CCCSc1c(cnn1c2cccc(c2)C(=O)O)C(=O)NC3CCCCC3,CHEMBL2177110,0.7
+CCCSc1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3CCCCC3,CHEMBL2177613,0.64
+CN(c1ccnc(Nc2cccc(c2)S(=O)(=O)C)n1)c3cccc4[nH]ncc34,CHEMBL1271394,3.21
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1,CHEMBL1236772,2.91
+NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1,CHEMBL398894,2.6
+OC1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncc5)cc3,CHEMBL1796296,2.48
+O[C@@]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncc5)cc3,CHEMBL1796297,2.31
+O[C@]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncc5)cc3,CHEMBL1738748,2.42
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccccc4CO,CHEMBL1223457,3.18
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccc(CO)cc4,CHEMBL1223456,2.86
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4cccc(CO)c4,CHEMBL1223455,3.36
+CC1CC(CN)CC(CO)C1,CHEMBL1715893,-1.4
+NC(=O)C1CCCCC1,CHEMBL366975,0.9
+CC1(C)CCC(CC1)NC(=O)[C@@H](N)CCC(=O)O,CHEMBL1255840,-0.27
+C[C@H](NC1=NC(=O)C(C)(S1)C(F)(F)F)c2ccccc2F,CHEMBL448483,3.1
+C[C@H](NC1=NC(=O)[C@@](C)(S1)C(F)(F)F)c2ccccc2F,CHEMBL384684,3.1
+C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c2ccccc2F,CHEMBL218006,3.1
+COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,CHEMBL1502,2.0
+Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c2nc3ccccc3[nH]2,CHEMBL480,2.7
+COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C,CHEMBL1219,-0.69
+FC(F)(F)c1nnc2ccc(nn12)N3CCN(Cc4ccc(cc4)C#N)CC3,CHEMBL2346967,2.9
+Fc1ccc(CN2CCN(CC2)c3ccc4nnc(n4n3)C(F)(F)F)cc1,CHEMBL2346968,3.46
+Fc1cccc(CN2CCN(CC2)c3ccc4nnc(n4n3)C(F)(F)F)c1F,CHEMBL2346969,3.6
+CCNCc1cnc(s1)c2ccc(cc2)C(=O)Nc3ccccc3N,CHEMBL256322,0.95
+Nc1ccccc1NC(=O)c2ccc(cc2)c3nccs3,CHEMBL256711,2.3
+CCCNCc1cnc(s1)c2ccc(cc2)C(=O)Nc3ccccc3N,CHEMBL256115,1.75
+CN1C(=O)C=C(CCc2ccccc2)N=C1N,CHEMBL237888,2.0
+NC1=NC(=CC(=O)N1)CCc2ccccc2,CHEMBL235821,1.4
+NC1=NC(=CC(=O)N1)CCc2cccc(Br)c2,CHEMBL236779,2.52
+CC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4,CHEMBL1180267,0.51
+CC(C)CC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4,CHEMBL1184124,1.83
+CCC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccccn4,CHEMBL1180194,0.8
+Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@@H](CC4)C(=O)O)c2,CHEMBL2178949,1.2
+Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@H](CC4)C(=O)O)c2,CHEMBL2178948,1.3
+Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@H](CC(=O)O)CC4)c2,CHEMBL2178947,1.5
+CC(=O)Nc1nnc(s1)S(=O)(=O)N,CHEMBL20,-0.78
+Cc1nnc(N)s1,CHEMBL1288960,-0.4
+CC(C)N(C(C)C)c1nnc(N)s1,CHEMBL1418512,1.49
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC(C)(O)C4,CHEMBL439871,3.18
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCC4,CHEMBL380673,3.46
+CC(C)CN1C(=O)NC(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCC4,CHEMBL1221510,3.0
+CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,CHEMBL1233689,1.51
+COc1nc(N)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,CHEMBL406852,-0.58
+CC(C)(C)OC(=O)NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23,CHEMBL2170975,1.2
+Clc1cccc(CN2C=CN3C(=O)C=C(N=C23)N4CCOCC4)c1Cl,CHEMBL1957840,3.3
+Cc1ccccc1CN2C=CN3C(=O)C=C(N=C23)N4CCOCC4,CHEMBL1957850,2.3
+Cc1cccc(CN2C=CN3C(=O)C=C(N=C23)N4CCOCC4)c1,CHEMBL1957851,2.8
+CC(=O)c1ccc(nc1)N2CCN(CC2)S(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C,CHEMBL465305,2.21
+CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N3CCN(CC3)c4ccc(cn4)C#N)C(=O)C2,CHEMBL480208,2.46
+CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N3CCN(CC3)c4ccc(cn4)C(F)(F)F)C(=O)C2,CHEMBL464081,3.8
+CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3cnccn3,CHEMBL6399,0.9
+COc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C,CHEMBL6800,1.9
+COc1nc(Cl)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C,CHEMBL6412,1.74
+Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23,CHEMBL588,0.87
+OC1(CNCCc2ccccc12)c3ccccc3,CHEMBL1907194,1.38
+CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3ccccc3,CHEMBL62,2.5
+Fc1cc(C(=O)Nc2cccc(c2)c3nnn[nH]3)c4nc[nH]c4c1,CHEMBL2031563,0.29
+O=C(Nc1cccc(c1)c2nnn[nH]2)c3cccc4[nH]cnc34,CHEMBL2031556,-0.05
+FC(F)(F)c1cc(C(=O)Nc2cccc(c2)c3nnn[nH]3)c4nc[nH]c4c1,CHEMBL2031559,1.1
+Nc1ccccc1NC(=O)c2ccc(cc2)c3ncc(CN4CCC4)cc3F,CHEMBL403812,1.69
+Nc1ccccc1NC(=O)c2ccc(cc2)c3ncc(CN4CCC4)cc3C#N,CHEMBL403813,1.22
+Cc1cc(CN2CCC2)cnc1c3ccc(cc3)C(=O)Nc4ccccc4N,CHEMBL402208,1.18
+Oc1cc(ccc1NC(=O)Nc2ccccc2Br)[N+](=O)[O-],CHEMBL239767,3.9
+CCN(C(=O)Nc1ccccc1)c2ccccc2,CHEMBL1393651,3.1
+OC(=O)c1ccccc1NC(=O)Nc2ccccc2,CHEMBL157063,-0.12
+Cc1cc(Cl)ccc1OC2CCN(C[C@H](O)CNC(=O)c3c[nH]nc3C(F)(F)F)CC2,CHEMBL2207659,3.02
+Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]nc3C(F)(F)F)CC2)c1Cl,CHEMBL2207660,3.66
+O[C@H](CNC(=O)c1c[nH]nc1C(F)(F)F)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2207658,3.34
+OCCCn1c(NC(=O)c2cccc(c2)[N+](=O)[O-])nc3ccccc13,CHEMBL210887,3.0
+COc1ccccc1C(=O)Nc2nc3ccccc3[nH]2,CHEMBL1459468,2.9
+COc1ccc(Cl)cc1C(=O)Nc2nc3ccccc3[nH]2,CHEMBL1595582,4.05
+Cc1cc(Oc2ccc3OCOc3c2)nc(Oc4ccc(cc4)n5ccnc5)n1,CHEMBL390674,3.47
+C1Oc2ccc(Oc3ccnc(Oc4ccc(cc4)n5ccnc5)n3)cc2O1,CHEMBL243978,3.27
+Cc1cnc(Oc2ccc(cc2)n3ccnc3)nc1Oc4ccc5OCOc5c4,CHEMBL244184,3.56
+COc1cc(N2CCN(C)CC2)c3nc(cc(N(C)C)c3c1)C(=O)Nc4ccc(cc4)N5CCOCC5,CHEMBL387545,3.3
+CNc1cc(nc2c(cc(OC)cc12)N3CCN(C)CC3)C(=O)Nc4ccc(cc4)N5CCOCC5,CHEMBL225364,2.93
+COc1cc(nc2c(cc(F)cc12)N3CCN(C)CC3)C(=O)Nc4ccc(cc4)N5CCOCC5,CHEMBL224267,3.85
+NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3F,CHEMBL2078873,1.32
+NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3ccccc3,CHEMBL2079220,1.04
+NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3ccc(cc3)C#N,CHEMBL2078762,0.61
+O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807871,1.74
+O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807870,0.99
+O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807869,1.06
+CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,CHEMBL447426,2.3
+CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,CHEMBL452464,2.8
+CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1,CHEMBL472151,2.7
+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]12,CHEMBL1201373,1.07
+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]12,CHEMBL1144,-0.76
+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]12,CHEMBL1201391,1.55
+COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc4ccsc4)ccc2c1,CHEMBL250540,2.43
+COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc4ccsc4)cc(C)c2c1,CHEMBL400883,2.41
+COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc4ccsc4)nc2c1,CHEMBL250516,2.46
+COc1cc(Nc2nccc(n2)N(C)c3cc(CO)ccc3C)cc(c1)N4CCOCC4,CHEMBL1762545,3.9
+CN(c1ccnc(Nc2cc(cc(c2)S(=O)(=O)C)N3CCOCC3)n1)c4cc(CO)ccc4C,CHEMBL1762546,2.9
+COCCOc1cc(Nc2nccc(n2)N(C)c3cc(CO)ccc3C)cc(c1)N4CCOCC4,CHEMBL1762544,3.3
+C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C#N,CHEMBL2164680,3.5
+Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NCC#N,CHEMBL2164677,2.77
+C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)C#N,CHEMBL2164679,3.1
+Nc1nc(N)nc(n1)c2cccc(c2)C(F)(F)F,CHEMBL139347,2.4
+CSc1nc(N)nc(n1)c2ccccc2,CHEMBL561426,2.98
+Nc1nc(N)nc(n1)c2ccc(Cl)cc2,CHEMBL139250,2.12
+CCOc1ccccc1c2ccc(cc2)c3nc4ccc(F)cc4c(N[C@H](C)C(=O)O)c3C#N,CHEMBL248380,2.5
+CCOc1ccccc1c2ccc(cc2)c3nc4ccc(F)cc4c(C(=O)O)c3C,CHEMBL2335121,1.18
+CCOc1ccccc1c2ccc(cc2)c3nc4ccc(F)cc4c(C(=O)NCCOCCN)c3C,CHEMBL2335123,2.46
+CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1,CHEMBL2326481,1.72
+Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1,CHEMBL2326478,3.3
+Nc1nc2cc3CCN(Cc4ccccc4)CCc3cc2s1,CHEMBL2326476,2.66
+COc1ccnc(CCc2nc3c(C)ccnc3[nH]2)c1,CHEMBL1800528,2.1
+COc1ccnc(CCc2nc3cccnc3[nH]2)c1,CHEMBL1738840,1.69
+COc1ccnc(CCc2nc3cc(Br)cnc3[nH]2)c1,CHEMBL1800526,2.92
+OC(=O)CCC[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4cc(F)ccc4[nH]3,CHEMBL1233652,1.95
+OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4cc(F)ccc4[nH]3,CHEMBL1083943,1.26
+OC(=O)C[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3cc4cc(Cl)ccc4[nH]3,CHEMBL1083942,1.79
+CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c4ccc(Cl)c(Cl)c4)CC1)N5CCCCC5=O,CHEMBL339051,2.78
+CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2cc(cc3ccccc23)C#N)c4ccc(Cl)c(Cl)c4)CC1)N5CCCCC5=O,CHEMBL339212,2.5
+CN(C)C(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2cc(cc3ccccc23)C#N)c4ccc(Cl)c(Cl)c4)CC1)N5CCCCC5=O,CHEMBL341175,2.52
+CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12,CHEMBL1557436,3.62
+Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc3ccccc3,CHEMBL1212983,3.41
+COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,CHEMBL1978713,3.85
+O=C(NCc1ccncc1)c2ccc(Oc3ccccc3C#N)cc2,CHEMBL1796293,2.57
+Cc1ccc(Oc2ccc(cc2)C(=O)NCc3ccncc3)cc1,CHEMBL1427458,3.65
+O=C(NCc1ccncc1)c2ccc(Oc3ccccc3)cc2,CHEMBL1607077,3.26
+CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2208428,2.34
+COc1cc(ccc1N)C(=O)NC[C@@H](O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2208427,3.12
+O[C@H](CNC(=O)c1cccc(c1)C#N)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2208423,3.48
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(C)nc1C#N)c3ccc(F)cn3,CHEMBL578201,2.61
+C[C@H](Nc1cnc(C)c(Nc2cc(C)[nH]n2)n1)c3ccc(F)cn3,CHEMBL576068,1.73
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)cnc1C#N)c3ccc(F)cn3,CHEMBL576257,2.51
+CS(=O)(=O)c1ccc(Oc2ccc(cc2)C#C[C@]3(O)CN4CCC3CC4)cc1,CHEMBL1940306,1.51
+CNC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]3(O)CN4CCC3CC4)cc1,CHEMBL1940296,1.99
+CNS(=O)(=O)c1ccc(Oc2ccc(cc2)C#C[C@]3(O)CN4CCC3CC4)cc1,CHEMBL1940307,2.03
+Cn1c(CN2CCN(CC2)c3ccc(Cl)cc3)nc4ccccc14,CHEMBL596271,3.54
+Cn1c(CN2CCN(CC2)c3ccccc3)nc4ccccc14,CHEMBL593300,3.11
+Cn1c(CN2CCN(CC2)c3cccc(Cl)c3)nc4ccccc14,CHEMBL1440652,3.75
+Cc1cc(C)nc(SCC(=O)N)n1,CHEMBL1526762,0.23
+COCCNc1nc(nc(NCC(C)C)c1N)C#N,CHEMBL474828,2.8
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OC4CCC(F)(F)CC4)nc23,CHEMBL1933592,1.42
+C[C@@H]1CC[C@H](CC1)Oc2nc(N)c3ncn([C@@H]4O[C@H](C)[C@@H](O)[C@H]4O)c3n2,CHEMBL1807850,2.35
+Fc1ccccc1NC(=O)N[C@H]2N=C(c3ccccc3)c4ccccc4NC2=O,CHEMBL223402,4.0
+Fc1ccccc1NC(=O)NC2N=C(c3ccccc3)c4ccccc4NC2=O,CHEMBL202626,3.8
+Clc1ccc(cc1)c2c[nH]nn2,CHEMBL196516,2.97
+Cc1ccc(cc1)c2c[nH]nn2,CHEMBL193610,2.58
+CN(C)C(=O)N[C@@H]1CC[C@@H](CN2[C@@H]3CC[C@H]2C[C@H](C3)Oc4cccc(c4)C(=O)N)CC1,CHEMBL1223817,-0.07
+NC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3CC4CCCCC4)c1,CHEMBL1223816,1.55
+O=C1C=C(Nc2cc(Cc3ccccc3)ccc12)c4cccnc4,CHEMBL1645495,3.46
+OC(c1ccccc1)c2ccc3C(=O)C=C(Nc3c2)c4cccnc4,CHEMBL1645496,2.27
+COc1cc(CCc2cc(Nc3ccnc(NCc4onc(C)c4)n3)n[nH]2)cc(OC)c1,CHEMBL2088096,3.1
+Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)[nH]n3)n2)on1,CHEMBL2088100,3.56
+CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,CHEMBL454,1.48
+CCCCC1(CC)C(=O)NC(=O)NC1=O,CHEMBL404422,1.5
+CC(=O)NCc1ccc(CN2CCN(CC2)c3ccccc3)cc1,CHEMBL170307,1.78
+CC(=O)NCc1ccc(CN2CCN(CC2)c3ccc(F)cc3F)cc1,CHEMBL352576,2.5
+COCCNCc1cncc(n1)c2ccc(F)cc2OC,CHEMBL1778868,1.61
+CCNCc1cncc(n1)c2ccc(F)cc2OC,CHEMBL1778870,1.18
+NC(=O)c1sc(cc1N)c2ccsc2,CHEMBL193093,2.23
+NC(=O)Nc1cc(sc1C(=O)N)c2ccsc2,CHEMBL1831078,2.3
+CCN(C)C(=O)c1ccc(cc1)C(=C2CCN(Cc3cscn3)CC2)c4cccc5cccnc45,CHEMBL1946027,2.65
+CN(C)C(=O)c1ccc(cc1)C(=C2CCN(Cc3cscn3)CC2)c4cccc5cccnc45,CHEMBL1946029,2.3
+c1ccc2cnccc2c1,CHEMBL12315,1.6
+Nc1nccc2ccccc12,CHEMBL62083,1.5
+CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,CHEMBL831,3.24
+Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1,CHEMBL1113,2.28
+COc1ccc(cc1)c2nc3c(NCCCNC(=O)C4CC4)c(Br)cnc3[nH]2,CHEMBL2011931,1.71
+COc1ccc(cc1)c2nc3c(NCCCNC(=O)C4(CN)CC4)c(Br)cnc3[nH]2,CHEMBL2011932,1.9
+CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CHEMBL549,1.56
+CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,CHEMBL1508,1.48
+Brc1ccc(s1)N2C[C@@]3(CN4CCC3CC4)OC2=O,CHEMBL190354,2.0
+O=C1O[C@]2(CN3CCC2CC3)CN1c4cccs4,CHEMBL362962,0.9
+CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccccc4,CHEMBL1086473,4.17
+CCc1nc2c(N)nc3ccccc3c2n1Cc4ccccc4,CHEMBL1083637,3.29
+OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)ccc4[nH]3,CHEMBL234952,3.4
+OCC(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4cc(Cl)ccc4[nH]3,CHEMBL233658,3.64
+COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,CHEMBL1363,0.42
+CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2,CHEMBL32800,-0.06
+NC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)n1,CHEMBL1224069,1.71
+NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)nc1,CHEMBL1224217,1.25
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)N4CCN(C)CC4)n2,CHEMBL455467,2.1
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N4CCN(C)CC4)ncc2F,CHEMBL451462,2.49
+COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2,CHEMBL637,0.99
+CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,CHEMBL1231,3.65
+N[C@@H](Cc1cccs1)C(=O)N[C@@]2(C[C@@H]2c3ccccc3)C#N,CHEMBL1078411,1.3
+N[C@@H](Cc1cccs1)C(=O)N[C@]2(C[C@H]2c3ccccc3)C#N,CHEMBL1080786,1.5
+CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1,CHEMBL298019,4.42
+CCOC(=O)c1ccc(OCCC2(CCN(CC2)c3ccc(C)nn3)C#N)cc1,CHEMBL1835907,3.54
+COc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1,CHEMBL1539037,1.4
+CCOc1ccc(NC(=O)CCc2c(C)nc3nc(C)nn3c2C)cc1,CHEMBL1399574,2.1
+O=C1C=COc2ccccc12,CHEMBL13311,1.4
+CCOC(=O)C1=COc2ccccc2C1=O,CHEMBL2312487,1.81
+CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,CHEMBL561,-1.1
+CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3,CHEMBL9,-0.87
+Cc1cc(nn1C[C@H](O)CN)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3,CHEMBL1852508,0.57
+Cc1cc(n[nH]1)c2ccc(Cl)c(c2)C(=O)NCC3(O)CCCCCC3,CHEMBL560241,3.41
+Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c3cccc4cccnc34)c(C)c1,CHEMBL2171277,3.9
+Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c3cccc4cccnc34)c(C)c1,CHEMBL2171278,3.8
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3NC(=O)C=Cc13,CHEMBL257269,3.36
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3NC(=O)C(=Cc13)C#N,CHEMBL403656,3.32
+Fc1ccccc1c2ccc3c(c2)C(=O)C(=O)c4ccccc34,CHEMBL300664,2.92
+CCOc1ccccc1c2ccc3c(c2)C(=O)C(=O)c4ccccc34,CHEMBL300663,2.67
+COC1(CCOCC1)c2cc(F)cc(OCc3ccc4N(C)C(=O)C=Cc4c3)c2,CHEMBL20403,3.52
+CCN1C(=O)C=Cc2cc(COc3cc(F)cc(c3)C4(CCOCC4)OC)ccc12,CHEMBL459236,3.89
+COc1ccc2nc3ccccc3c(N)c2c1,CHEMBL578723,1.0
+CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,CHEMBL7568,2.17
+OCCN1C=Cc2c(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cccc2C1=O,CHEMBL560219,3.36
+C[C@H](CO)N1C=Cc2c(NC(=O)Cc3ccc(Cl)c(c3)C(F)(F)F)cccc2C1=O,CHEMBL550436,3.49
+C[C@@H](Oc1nc(Nc2cc(C)[nH]n2)c(C)nc1C#N)c3ccc(F)cn3,CHEMBL571526,2.72
+C[C@H](Oc1nc(Nc2cc(C)[nH]n2)c(C)nc1C#N)c3ccc(F)cn3,CHEMBL570192,2.86
+CCCc1c(O)c(ccc1OCc2ccc(cc2OC)c3nn[nH]n3)C(=O)C,CHEMBL355236,2.8
+CCCc1c(O)c(ccc1OCc2ccc(cc2)c3nn[nH]n3)C(=O)C,CHEMBL167597,3.1
+Oc1c2ncc3ccccc3c2nn1c4ccccc4,CHEMBL126048,0.8
+Oc1c2ncc3ccccc3c2nn1c4ccc(Cl)cc4,CHEMBL445565,1.52
+COC(=O)N1CCN([C@@H](CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3,CHEMBL65511,1.97
+COC(=O)N1CCN([C@H](CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3,CHEMBL277863,2.05
+Oc1cc(O)c2C(=O)c3ccccc3Oc2c1,CHEMBL388525,3.39
+Oc1cccc2Oc3ccccc3C(=O)c12,CHEMBL187368,3.8
+CCCNC(=O)c1nnc2c(cccc2c1N)c3ncccn3,CHEMBL1631468,1.86
+CCCNC(=O)c1nnc2c(c(F)ccc2c1N)c3ncccn3,CHEMBL1631470,2.07
+OCC(O)CN1CCN(CC1)c2ccccc2,CHEMBL151445,0.4
+CC(C)(CS(=O)(=O)N1CCN(CC1)c2ccc(F)cc2)N(O)C=O,CHEMBL1784354,1.07
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccs2)NC(=O)OCC(F)(F)F)C(=O)C(F)(F)F,CHEMBL275455,2.32
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccs2)N)C(=O)C(F)(F)F,CHEMBL11084,0.68
+C[C@@H](C(=O)NCCN1CCCC1)c2ccc(OS(=O)(=O)C(F)(F)F)cc2,CHEMBL190243,1.64
+CCC[C@@H](CN1CCCC1)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2,CHEMBL105984,2.27
+CCN1C(=O)NC(C1=O)c2ccccc2,CHEMBL1095,1.0
+CCC1(NC(=O)N(C)C1=O)c2ccccc2,CHEMBL861,1.59
+Nc1ncnc2c1nc(Sc3nc4cccc(Cl)c4s3)n2CCO,CHEMBL209522,2.37
+CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc4c(N)ncnc14,CHEMBL448474,3.16
+CCN(C(=O)c1oc(cc1)c2ccc(Cl)cc2)c3ccc(cc3)N4CCNCC4,CHEMBL2017459,3.3
+Clc1ccc(cc1)c2oc(cc2)C(=O)Nc3ccc(cc3)N4CCNCC4,CHEMBL1938680,2.4
+COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C,CHEMBL341226,4.21
+COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1,CHEMBL424451,3.96
+NC(=O)c1cccc(C[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1223952,1.19
+NC(=O)c1cccc(C[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1223953,1.11
+Fc1ccc(cc1Cl)C(=O)Nc2ccc(Cl)nc2,CHEMBL2046684,3.64
+Fc1ccc(cc1F)C(=O)Nc2ccc(Cl)nc2,CHEMBL402146,3.31
+Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)c3nnn[nH]3,CHEMBL2031562,0.2
+Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)c3nnn[nH]3,CHEMBL2031561,0.8
+CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OC(CO)CO)c2Cl)n[nH]1,CHEMBL515062,2.77
+Cc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1,CHEMBL2088101,2.8
+C[C@H]1O[C@H]([C@H](O)[C@H]1Cl)n2cnc3c(N)nc(OCC4CC45CC5)nc23,CHEMBL1807860,3.68
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OCC4CC45CC5)nc23,CHEMBL1807851,1.78
+COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]4CCCN(C)C4,CHEMBL1907764,3.05
+COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]4CCCN(C)C4,CHEMBL1907763,2.9
+OC(=O)CCCCn1nnc(n1)c2ccc(cc2)C(=O)N3CCC(CC3)N4CCC(CC4)Oc5ccc(Cl)c(Cl)c5,CHEMBL2171029,1.6
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)c4ccc(cc4)c5nn[nH]n5)cc1Cl,CHEMBL2171026,1.53
+Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4ccncc4)C3=O,CHEMBL118755,-0.16
+CCC(N1NC(=O)C2=C(C1=O)C(=O)c3ccc(Cl)cc3N2)c4ccncc4,CHEMBL1180257,0.6
+OC1(C(=O)Nc2ccccc12)c3ccccc3,CHEMBL1350030,1.71
+CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2Cl)c3c1cc(cc3C(F)(F)F)C(=O)N,CHEMBL360227,2.4
+O=C(N1CCN(CC1)c2ccccn2)c3cccc(CC4=NNC(=O)c5ccccc45)c3,CHEMBL495497,2.36
+Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)c5ccccn5,CHEMBL523058,2.55
+CCCN(CCC)CCc1cccc2NC(=O)Cc12,CHEMBL589,0.76
+CC1(C)C(=O)Nc2ccccc12,CHEMBL1643349,2.3
+Cc1[nH]c(C(=O)NC2CCN(CC2)c3cc(cc(Cl)n3)C(=O)O)c(Cl)c1Cl,CHEMBL1923432,1.74
+Cc1ccc([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(Cl)n3)C(=O)N,CHEMBL1923430,2.64
+OC[C@H]1CCCN1CCCOc2ccc3c(Nc4cc(CC(=O)Nc5cccc(F)c5F)[nH]n4)ncnc3c2,CHEMBL215022,2.06
+COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN5CCC[C@@H]5CO,CHEMBL385049,1.96
+C(Nc1nc2ccccc2[nH]1)c3ccccc3,CHEMBL456446,2.76
+COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC,CHEMBL1624560,2.36
+C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1S(=O)(=O)Cc3ccccc3,CHEMBL1689137,1.12
+OC(=O)COc1ccc(Cl)cc1CN2CCN(CC2)S(=O)(=O)Cc3ccccc3,CHEMBL1689111,0.33
+COCC[C@H](Oc1ncnc2c1cnn2c3ccccc3Cl)C(=O)Nc4ccc(C)cn4,CHEMBL2206790,3.6
+COCCC(Oc1ncnc2c1cnn2c3ccccc3C(F)(F)F)C(=O)Nc4ccc(C)cn4,CHEMBL2206788,3.5
+O=C1CCOc2cc(OCc3cccc(c3)C#N)ccc12,CHEMBL1682817,2.8
+Fc1cccc(COc2ccc3C(=O)CCOc3c2)c1,CHEMBL1682816,3.4
+CC1(C)COCc2sc(nc12)N3CCN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N,CHEMBL2071098,2.4
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4nc5CCOCc5s4,CHEMBL2071097,1.42
+Cc1cc(NC(=O)c2ccc(Cl)cc2)n(n1)c3ccccc3,CHEMBL1612749,3.25
+Fc1ccccc1C(=O)Nc2c(cnn2c3ccccc3)C#N,CHEMBL1398535,1.7
+CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO,CHEMBL107313,1.69
+ONC(=O)C1COC(=N1)c2ccc(F)c(c2)C(F)(F)F,CHEMBL321590,1.53
+CCCC(=O)NCc1cncc(c1)c2ccc(F)cc2OC,CHEMBL1779018,2.9
+COc1cc(F)ccc1c2cncc(CNC(C)C)c2,CHEMBL1779008,1.5
+Cc1cnc(NS(=O)(=O)c2ccccc2)c(C)n1,CHEMBL1895117,-0.03
+COc1nccnc1NS(=O)(=O)c2ccc(N)cc2,CHEMBL1525826,-0.65
+Brc1ccc2oc3C(=O)NC(=Nc3c2c1)[C@@H]4CCCN4,CHEMBL2030393,2.19
+Clc1ccc2oc3C(=O)NC(=Nc3c2c1)[C@@H]4CCCN4,CHEMBL2030402,2.01
+Cc1nc(cs1)C(=O)N2CCCC3(CCN(Cc4ccccc4)CC3)C2,CHEMBL1290185,0.24
+Cc1nc(cs1)C(=O)N2CCCC3(CCN(Cc4ccc(Cl)cc4)CC3)C2,CHEMBL1290078,0.64
+NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F,CHEMBL888,-1.5
+CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O,CHEMBL1773,0.67
+Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3,CHEMBL2030560,2.29
+COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c3ccccc3,CHEMBL685,2.9
+Nc1nccc(n1)c2cc3C(=O)NC[C@@H](CCF)c3[nH]2,CHEMBL451570,0.51
+Nc1nccc(n1)c2cc3C(=O)NC[C@H](CCF)c3[nH]2,CHEMBL524266,0.51
+CCN(C)C(=O)c1ccc(cc1)C(=C2CCN(Cc3ccc(F)cc3)CC2)c4ccccc4NC(=O)C,CHEMBL1946019,2.79
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCN(Cc3ccc(F)cc3)CC2)c4ccc(NC(=O)OC)cc4,CHEMBL1946024,4.01
+Nc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1,CHEMBL99737,1.6
+Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2,CHEMBL27759,1.26
+CS(=O)(=O)c1ccc(cc1)[C@H](CC2CCCC2)C(=O)Nc3nccs3,CHEMBL1094168,3.88
+CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3,CHEMBL1096435,3.86
+CC1=C(OCc2ccccc2)C(=O)C=CO1,CHEMBL1330968,1.87
+CC1=C(OCc2ccc(F)cc2)C(=O)C=CO1,CHEMBL1320527,1.91
+Fc1cccc(c1F)c2cncc(CNCC3CC3)n2,CHEMBL1778995,1.82
+COc1cc(F)ccc1c2cncc(CNCC3CC3)n2,CHEMBL1778865,1.8
+CCCSc1c(cnn1[C@@H]2CC[C@@H](CC2)C(=O)O)C(=O)NC3CCCCC3,CHEMBL2177611,1.39
+CCCSc1c(cnn1[C@@H]2CC[C@H](CC2)C(=O)O)C(=O)NC3CCCCC3,CHEMBL2177612,1.03
+COc1ccc(cc1OC)S(=O)(=O)Nc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2,CHEMBL149444,2.56
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(\C=C\C(=O)Nc3ccccc3N)cc2,CHEMBL148313,2.82
+CCN1CCO[C@@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036773,2.68
+CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036775,2.77
+Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C3)Oc4cccc(c4)C(=O)N)s1,CHEMBL1223815,2.39
+Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@@H](C3)Oc4cccc(c4)C(=O)N)s1,CHEMBL1257578,2.44
+COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,CHEMBL87,1.12
+COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,CHEMBL107,0.82
+Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(n1)N3CCOCC3,CHEMBL1343931,1.8
+Cc1nc(CS(=O)(=O)c2ccccc2)cc(n1)N3CCOCC3,CHEMBL1699517,1.07
+Oc1oc(c2ccccc2)c(n1)c3ccccc3,CHEMBL1485846,3.42
+OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3,CHEMBL1071,1.2
+COc1ccnc(c1)N(C)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762533,2.23
+COc1cccc(n1)N(C)c2ccnc(Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)n2,CHEMBL1762534,3.37
+COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1,CHEMBL1916534,1.24
+O=C1COc2ccccc2N1CCN3CCC(CC3)NCc4cc5OCCOc5cn4,CHEMBL1916535,1.04
+COc1cccc2sc(NC(=O)c3ccccc3)nc12,CHEMBL1868126,3.96
+COc1ccccc1C(=O)Nc2nc3ccccc3s2,CHEMBL1524929,3.61
+CN(C)C(=O)N[C@@H]1CC[C@H](CCN2[C@@H]3CC[C@H]2C[C@H](C3)Oc4cccc(c4)C(=O)N)CC1,CHEMBL1223872,0.22
+CN(C)C(=O)N[C@@H]1CC[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](C3)Oc4cccc(c4)C(=O)N)CC1,CHEMBL1223870,0.12
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CC6CN(CCO)CC(C5)O6,CHEMBL1809059,2.5
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CC6CNCC(C5)O6,CHEMBL1809058,2.3
+COc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OCCCN4CCN(C)CC4)C(=O)N,CHEMBL481231,1.2
+COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl,CHEMBL288441,3.5
+Cc1cc(C)cc(c1)c2[nH]c3ccccc3c2CCNCCCCc4ccncc4,CHEMBL11009,3.3
+CCN(CC)C(=O)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)c4cc(C)cc(C)c4,CHEMBL298700,3.3
+CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN2CCC3(CC2)Cc4cc(Cl)ccc4O3,CHEMBL2332935,2.76
+CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN2CCC3(CC2)Cc4cc(F)ccc4O3,CHEMBL2332936,2.1
+CC(C)COc1cc(OC(C)C)cc(c1)C(=O)Nc2ccc(cn2)C(=O)O,CHEMBL381434,1.6
+O=C(Nc1ccccn1)c2ccccc2,CHEMBL377136,2.2
+Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(=O)O)c(C)c1,CHEMBL606371,0.49
+OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)c3c(Cl)cccc3Cl,CHEMBL2030815,-0.22
+CCCCCC\N=C\1/C=CN(Cc2ccccc2)c3cc(Cl)ccc13,CHEMBL53841,0.98
+CC(C)CCCC(C)\N=C\1/C=CN(Cc2ccccc2)c3cc(Cl)ccc13,CHEMBL56261,1.58
+NC(=O)c1ccn2c(c3ccccc3)c(nc2c1)c4ccc(cc4)C5(N)CCC5,CHEMBL2035022,2.0
+NC1(CCC1)c2ccc(cc2)c3nc4ccccn4c3c5ccccc5,CHEMBL2035021,2.8
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)n3cnc(c3)C#N,CHEMBL426576,1.51
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)c2)n3ccnc3,CHEMBL427486,0.7
+Nc1[nH]nc2ccccc12,CHEMBL1331627,1.0
+Nc1[nH]nc2cccc(Cl)c12,CHEMBL1333961,1.92
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2ccc(F)cc2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F,CHEMBL11098,2.47
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2ccccc2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F,CHEMBL11403,2.12
+O[C@@]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncn5)cc3,CHEMBL1796299,1.77
+O[C@]1(CN2CCC1CC2)C#Cc3ccc(Oc4ccc(cc4)C(=O)NCc5ccncn5)cc3,CHEMBL1796298,1.78
+COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N2c3ccccc3Oc4ccccc24,CHEMBL2207603,-0.53
+COc1cc(OC)c(cc1NC(=O)\C=C\C(=O)O)S(=O)(=O)N2c3ccccc3Oc4ccccc24,CHEMBL2207606,-0.71
+CCCC(=O)Nc1ccc(Cl)c(c1)c2oc3cccnc3n2,CHEMBL1609158,3.37
+Nc1ccc(Cl)c(c1)c2oc3cccnc3n2,CHEMBL1548889,1.97
+COc1cc(OC2CCN(C)CC2)c3c(Nc4c(Cl)ccc5OCOc45)ncnc3c1,CHEMBL214665,2.98
+COc1cc(OC2CCN(C)CC2)c3c(Nc4cccc5OCOc45)ncnc3c1,CHEMBL384260,3.02
+CN([C@@H]1CCN(Cc2nc3ccccc3s2)C[C@@H]1F)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL2010852,2.1
+CN([C@@H]1CCN(Cc2nc3cc(F)ccc3s2)C[C@@H]1F)C(=O)Cc4ccc(cc4)S(=O)(=O)C,CHEMBL2010853,2.2
+CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,CHEMBL1197051,0.56
+CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2,CHEMBL473,0.6
+COc1ccc(cc1)C(=O)CS(=O)(=O)c2ccccc2,CHEMBL238620,1.96
+O=C(CS(=O)(=O)c1ccccc1)c2ccccc2,CHEMBL379738,1.86
+[O-][N+](=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,CHEMBL1164165,2.5
+Clc1ccc2C(=O)NC(=Nc2c1)c3ccccc3,CHEMBL2003130,3.31
+CC(C)c1noc(n1)N2CCN([C@H](C)C2)c3ncc(OCc4ccncc4C#N)cn3,CHEMBL2087084,3.1
+C[C@@H]1CN(CCN1c2ncc(OCc3ccncc3C#N)cn2)c4onc(n4)C(F)(F)F,CHEMBL2087086,3.1
+Clc1cnc(cc1C(=O)NCC23CC4CC(CC(C4)C2)C3)N5CCNCC5,CHEMBL563784,2.09
+Clc1c(ccnc1N2CCNCC2)C(=O)NCC34CC5CC(CC(C5)C3)C4,CHEMBL562698,1.77
+Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(OC[C@H](O)CO)c3,CHEMBL205133,1.94
+Nc1c(cnn1c2ccc(F)cc2)C(=O)c3cccc(OC[C@@H](O)CO)c3,CHEMBL203567,1.91
+NC1=NC2(CCN(CC2)C(=O)c3ccc(cc3)C#N)Nc4cccc(F)c14,CHEMBL367556,0.66
+NC1=NC2(CCN(CC2)C(=O)c3ccc(cc3)C#N)Nc4c(F)ccc(F)c14,CHEMBL174310,0.86
+C[C@H](Oc1ccc(SCCCCCc2ccccc2)cc1)C(=O)c3nc(C)c(CCCC(=O)O)s3,CHEMBL1770464,2.03
+C[C@@H](Oc1ccc(SCCCCCc2ccccc2)cc1)C(=O)c3nc(C)c(CCCC(=O)O)s3,CHEMBL1770465,3.58
+Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C,CHEMBL306380,4.1
+CC(C)n1nc(c2ccc(C)cc2)c3c(N)ncnc13,CHEMBL1785015,3.2
+COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN3CCC(CC3)N4CCCNC4=O)c5ccc(Cl)c(Cl)c5)C#N,CHEMBL128782,3.0
+CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c4ccc(Cl)c(Cl)c4)CC1)N5CCCNC5=O,CHEMBL129814,2.2
+CC(N(O)C(=O)N)c1cc2ccccc2s1,CHEMBL93,2.05
+NC(=N)c1cc2c(I)cccc2s1,CHEMBL60088,0.74
+N\C(=C(/C#N)\c1ccccc1C(F)(F)F)\Sc2ccc(N)cc2,CHEMBL2218940,3.4
+N\C(=C(\C#N)/c1ccccc1C(F)(F)F)\Sc2ccc(N)cc2,CHEMBL261237,3.3
+Nc1nc(ns1)c2ccccc2,CHEMBL47633,2.2
+CC(=O)Nc1nc(ns1)c2ccccc2,CHEMBL1362574,2.8
+Cc1ccc(cc1)c2csc3ncnc(O)c23,CHEMBL1427554,2.59
+Oc1ncnc2scc(c3ccccc3)c12,CHEMBL1369722,2.07
+Cc1nc2ncnn2c(O)c1CCOC(=O)c3ccccc3F,CHEMBL1904754,0.99
+Cc1nc2ncnn2c(O)c1CCOC(=O)c3c(F)cccc3F,CHEMBL1600648,0.16
+NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl,CHEMBL1054,0.37
+NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,CHEMBL435,-0.09
+Cc1nccc(c1Cl)c2ccc(cc2)c3nc4ccncc4c(O)c3C#N,CHEMBL1957460,2.0
+Cc1cc(ccn1)c2ccc(cc2)c3nc4ccncc4c(O)c3C#N,CHEMBL1957381,1.6
+C[C@H]1COCCN1c2cc(CS(=O)(=O)C)nc(n2)c3ccc4[nH]ccc4c3,CHEMBL2030446,2.38
+CS(=O)(=O)Cc1cc(nc(n1)c2ccc3[nH]ccc3c2)N4CCOCC4,CHEMBL2030436,2.06
+OC(=O)Cc1csc(n1)c2ccc(Cl)cc2,CHEMBL1909282,-0.22
+CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O,CHEMBL1164729,0.94
+Fc1ccc(cc1)C(NC(=O)CC2CCN(Cc3ccn(c3)c4ccc(cc4)C(F)(F)F)CC2)C5=CNC(=O)C(=C5)Cl,CHEMBL540930,3.12
+Fc1ccc(cc1)C(NC(=O)CC2CCN(Cc3ccn(c3)c4ccc(cc4)C(F)(F)F)CC2)C5=CNC(=O)C=C5,CHEMBL554332,3.04
+CCC(CC)CNC(=O)c1ccc2c(c1)c(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c4ccccc4C)cn2C,CHEMBL281066,2.7
+CCCCC(CC)CNC(=O)c1ccc2c(c1)c(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c4ccccc4C)cn2C,CHEMBL413742,3.66
+CN1CCN(CC(=O)Nc2ccc(C3=CC=CN4C(=O)C=C(N=C34)N5CCOCC5)c6sc7ccccc7c26)CC1,CHEMBL1630123,2.6
+COCCN1CCN(CC(=O)Nc2ccc(C3=CC=CN4C(=O)C=C(N=C34)N5CCOCC5)c6sc7ccccc7c26)CC1,CHEMBL1630120,3.2
+C[S+]([O-])c1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4,CHEMBL10,3.34
+CSc1ccc(cc1)c2nc(c3ccc(F)cc3)c([nH]2)c4ccncc4,CHEMBL17370,2.97
+CN(CCO)C(=O)c1ccc(cc1)[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)c4cccc(NC(=O)C5CC5)c4,CHEMBL1939738,3.38
+CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)c4cccc(NC(=O)C5CC5)c4,CHEMBL1939737,3.99
+O=C(N[C@H]1CN2CCC1CC2)c3ccc(s3)c4ccccc4,CHEMBL195329,1.9
+O=C(N[C@@H]1CN2CCC1CC2)c3ccc(s3)c4ccccc4,CHEMBL1181881,1.77
+CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3,CHEMBL1626,3.48
+CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(Cl)cc3,CHEMBL315157,3.04
+Nc1nnc(s1)c2ccccc2,CHEMBL1529362,1.8
+CCCCCc1ccc(cc1)c2nnc(N)s2,CHEMBL1458292,4.13
+C[C@@H]1CCCN1CCc2oc3ccc(cc3c2)c4ccc(cc4)C#N,CHEMBL351231,3.51
+C[C@H]1CCCN1CCc2oc3ccc(cc3c2)c4ccc(cc4)C#N,CHEMBL180368,3.25
+CC(C)NC(=O)c1ccc(C)c(c1)N2C=Nc3ccc(cc3C2=O)N4CCN(C)CC4,CHEMBL2031466,1.56
+CCNC(=O)c1ccc(C)c(c1)N2C=Nc3ccc(cc3C2=O)N4CCN(C)CC4,CHEMBL2031467,1.47
+OCC(=O)N1CCC[C@@H]1COc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23,CHEMBL249927,3.71
+OCC(=O)N1CCC[C@H]1COc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23,CHEMBL403569,3.62
+Cc1sc2c(C(=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C,CHEMBL1957266,3.82
+CCc1cc2C(=NCc3nnc(C)n3c2s1)c4ccccc4Cl,CHEMBL1289779,2.52
+OC(=O)CCc1ccc(OCc2cc(Cl)ccc2c3ccccc3)cc1,CHEMBL2058529,3.22
+Cc1ccc(cc1)c2ccc(F)cc2COc3ccc(CCC(=O)O)cc3,CHEMBL2058533,3.24
+OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1,CHEMBL24850,0.4
+N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12,CHEMBL1288718,3.71
+CNc1nc(C)c(s1)c2nc(Nc3cccc(c3)N4CCCN(CC4)C(=O)C)ncc2C#N,CHEMBL2348651,3.2
+CNc1nc(C)c(s1)c2nc(Nc3cccc(c3)N4CCCNCC4)ncc2C#N,CHEMBL2312185,1.64
+Cc1cccc(NS(=O)(=O)c2ccc(cc2)c3ccc(cc3)C#N)n1,CHEMBL526098,2.42
+Nc1cccc(NS(=O)(=O)c2ccc(cc2)c3ccc(cc3)C#N)n1,CHEMBL495841,2.2
+CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)[S+](C)[O-],CHEMBL1088,1.6
+CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,CHEMBL479,3.76
+CN([C@@H]1CCN(Cc2ccc(nc2)C(F)(F)F)C[C@@H]1F)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010849,1.8
+CN(C1CCN(Cc2ccc(nc2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010839,1.8
+Clc1cccc(Cl)c1c2nnc3cccc(Cl)n23,CHEMBL1433131,2.66
+Clc1ccc(c(Cl)c1)c2nnc3cccc(Cl)n23,CHEMBL1329874,2.88
+CN1CCC(CC1)(c2cc(nc(n2)c3cccc4[nH]ccc34)N5CCOCC5)S(=O)(=O)C,CHEMBL2325707,1.9
+CS(=O)(=O)C1(CCNCC1)c2cc(nc(n2)c3cccc4[nH]ccc34)N5CCOCC5,CHEMBL2325706,0.7
+CCN(C1CCN(CCC(N2CCN(CC2)c3ccccc3)c4ccccc4)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C,CHEMBL1951893,2.67
+CCN(C1CCN(CCC(N2CCN(CC2)c3cccc(F)c3)c4ccccc4)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C,CHEMBL1951894,3.21
+C[C@@H]1NC(C)(C)CO[C@@]1(O)c2cccc(Cl)c2,CHEMBL1172928,1.69
+C[C@H]1NC(C)(C)CO[C@]1(O)c2cccc(Cl)c2,CHEMBL1172929,1.69
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)OCc3cc(C)nc(C)c3)C(=O)C(F)(F)F,CHEMBL113187,2.38
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)OCc3ccncc3)C(=O)C(F)(F)F,CHEMBL275043,2.41
+COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3,CHEMBL441225,1.5
+COc1ccc(OC(F)(F)F)cc1CN[C@H]2CCCN[C@H]2c3ccccc3,CHEMBL319118,2.9
+COC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)c2cccc3ccccc23,CHEMBL33227,3.58
+CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2cccc3ccccc23,CHEMBL290119,3.12
+C[C@]12N[C@H](Cc3ccccc13)c4ccccc24,CHEMBL284237,1.6
+CC12NC(Cc3ccccc13)c4ccccc24,CHEMBL442137,1.7
+Clc1cccc(NC(=O)c2ccccn2)c1,CHEMBL556667,3.4
+Nc1ccccc1NC(=O)c2ccccn2,CHEMBL254361,1.0
+CN1CC(C1)n2nccc2c3cc(Cl)ccc3Oc4cc(F)c(cc4F)S(=O)(=O)Nc5ncns5,CHEMBL2325622,1.0
+Fc1cc(c(F)cc1Oc2ccc(Cl)cc2c3ccnn3C4CNC4)S(=O)(=O)Nc5ncns5,CHEMBL2325642,1.0
+CNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c(Br)[nH]1,CHEMBL1610495,3.1
+COC(=O)c1c(C)[nH]c(C)c1C(=O)c2ccccc2Cl,CHEMBL93404,2.7
+[O-][n+]1cc(ccc1Cl)C(=O)Nc2ccc(F)cc2,CHEMBL60066,1.38
+CS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc2ccc(F)cc2,CHEMBL61835,0.84
+CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc4ccccc24)c(O)c1,CHEMBL561339,0.77
+CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4cccc(O)c24,CHEMBL494480,0.54
+Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,CHEMBL554169,1.02
+Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,CHEMBL559478,1.58
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ccoc34)n2)c1,CHEMBL1270671,3.52
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1,CHEMBL1270670,3.7
+CN1N(C(=O)C=C1C)c2ccccc2,CHEMBL277474,0.11
+CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,CHEMBL288470,0.78
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4occc4,CHEMBL1222443,2.07
+NC1=CC2=NNC(=O)N2c3cc(ccc13)c4occc4,CHEMBL2012863,2.48
+Cc1nc(C)c(nc1C(=O)N)c2ccc(cc2)C34CCC(CC3)(CC4)C(=O)O,CHEMBL2178371,1.3
+Cc1nc(C)c(nc1C(=O)N)c2ccc(cc2)C34CCC(CC(=O)O)(CC3)CC4,CHEMBL2178372,1.6
+CCOC(=O)C1(CCN(C)CC1)c2ccccc2,CHEMBL607,1.4
+C1CC(CCN1)c2ccccc2,CHEMBL20969,0.54
+CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1,CHEMBL73151,2.73
+CC(O)C(C)OC(=O)[C@@H]1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1,CHEMBL1184160,2.8
+O=S(=O)(Cc1cc(nc(n1)c2ccccn2)N3CCOCC3)c4ccccc4,CHEMBL1312643,1.34
+Fc1ccc(cc1)S(=O)(=O)Cc2cc(nc(n2)c3ccccn3)N4CCOCC4,CHEMBL2030439,1.59
+C[C@H](NC(=O)c1c(C)nn(C2CCN(C)CC2)c1NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C,CHEMBL1934420,0.8
+C[C@H](NC(=O)c1c(C)nn(C2CCN(CC(F)(F)F)CC2)c1NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C,CHEMBL1934421,1.08
+OCCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1,CHEMBL495383,3.83
+OCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1,CHEMBL496929,3.85
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(C)nc1C#N)c3ncc(F)cn3,CHEMBL569720,1.92
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)cnc1C#N)c3ncc(F)cn3,CHEMBL570002,1.96
+O[C@H](CNC(=O)C1=CNC(=O)c2cc(ccc12)S(=O)(=O)N3CCC3)CN4CCC(CC4)Oc5ccc(Cl)c(Cl)c5,CHEMBL2207654,3.02
+CC1(O)CN(C1)S(=O)(=O)c2ccc3C(=CNC(=O)c3c2)C(=O)NC[C@@H](O)CN4CCC(CC4)Oc5ccc(Cl)c(Cl)c5,CHEMBL2207655,2.54
+CC(=O)N1CCN(CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)C(F)(F)F)CC1,CHEMBL2346974,3.2
+CC(=O)N1CCN(CCOc2ccc(cc2)C3(O)CCN(CC3)c4ccc5nnc(n5n4)C(F)(F)F)CC1,CHEMBL2346975,2.2
+Cc1ccsc1CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3,CHEMBL226906,1.15
+Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4cccs4)C3=O,CHEMBL226855,1.52
+CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4,CHEMBL2326523,2.88
+Cc1ccc(cc1)C(=O)N(CCCN)CC2=Nc3cc(Cl)ccc3C(=O)N2Cc4ccccc4,CHEMBL254192,1.47
+CC(=O)c1ccc2NC(=CC(=O)c2c1)c3cccnc3,CHEMBL1645501,1.41
+CNC(=O)c1ccc2C(=O)C=C(Nc2c1)c3cccnc3,CHEMBL1645493,1.01
+COc1ccc(C=C2SC(=O)NC2=O)cc1OC,CHEMBL1700458,1.17
+COc1cc(\C=C/2\SC(=O)NC2=O)cc(OC)c1O,CHEMBL231450,0.74
+O=C1Nc2ccccc2C=C1,CHEMBL186422,1.32
+CC1=CC(=O)Nc2ccccc12,CHEMBL424414,1.9
+CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccc3nc(N)nn3c2,CHEMBL2059909,1.41
+CNC(=O)Nc1nc2ccc(cn2n1)c3cncc(c3)S(=O)(=O)NC(C)(C)C,CHEMBL2059910,1.58
+Cc1cnc(NC(=O)Cc2ccccc2)s1,CHEMBL425300,2.9
+O=C(Cc1ccccc1)Nc2nccs2,CHEMBL227897,2.5
+CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,CHEMBL61946,2.3
+CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2,CHEMBL73234,1.33
+OC(=O)c1[nH]c2ccccc2c1CCCOc3cccc4ccccc34,CHEMBL2314198,2.75
+Cn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c4ccccc14,CHEMBL2314504,2.99
+CC(=O)Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2,CHEMBL1077458,2.91
+O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2,CHEMBL1078178,2.37
+CC\C(=C(/c1ccccc1)\c2ccc(\C=C\C(=O)O)cc2)\c3ccccc3,CHEMBL33899,3.89
+CCN(CC)CCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3,CHEMBL954,4.09
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(oc6C)C#N)c3C1=O,CHEMBL2087625,4.26
+CN1C(=O)N(CC2CC2)c3nn(Cc4ccnc5ccc(Cl)cc45)c(c6cc(oc6C)S(=O)(=O)C)c3C1=O,CHEMBL469008,3.2
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(NC4CC4)sc13,CHEMBL396043,4.37
+OCC(CO)Nc1nc(SCc2cccc(F)c2F)nc3nc(NC4CC4)sc13,CHEMBL430381,3.11
+CNc1c(Cl)cnc2[nH]c(nc12)c3ccc(OCCN4CCOCC4)cc3,CHEMBL2011924,2.63
+CNc1c(cnc2[nH]c(nc12)c3ccc(OCCN4CCOCC4)cc3)C(=O)N,CHEMBL2011923,2.14
+COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c2ccc(Br)cc2,CHEMBL1538897,3.4
+C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F,CHEMBL63560,2.87
+Clc1cc(Cl)cc(CS(=O)(=O)NCC(N2CCCCCC2)c3ccccc3)c1,CHEMBL1209430,3.23
+O=S(=O)(Cc1ccccc1)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209429,2.83
+CC(C)Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc3nccs3,CHEMBL550904,3.61
+C[C@@H](CO)Oc1cc(Oc2ccc(cc2)S(=O)(=O)C)cc(c1)C(=O)Nc3nccs3,CHEMBL561652,2.63
+COc1c2OC(=O)C=Cc2cc3ccoc13,CHEMBL416,1.97
+CC1=CC(=O)Oc2c(C)c3oc(C)cc3cc12,CHEMBL1475,3.47
+Nc1c(nnc2c(c(F)ccc12)c3ncccn3)C(=O)NC4CC4,CHEMBL1631472,1.59
+Nc1c(nnc2c(cccc12)c3ncccn3)C(=O)NC4CC4,CHEMBL1631471,1.5
+CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,CHEMBL914,0.42
+CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,CHEMBL17157,3.99
+Nc1ncc2cc(c(N)nc2n1)c3c(Br)cccc3Br,CHEMBL57531,2.06
+COc1cc(OC)cc(c1)c2cc3cnc(N)nc3nc2N,CHEMBL56942,2.14
+CC(C)N1CCC[C@H](CN2C(=Nc3ccc(cc3C2=O)c4ccc(Cl)cc4)C)C1,CHEMBL244936,3.3
+CC(C)N1CCC[C@H](CN2C(=O)c3cc(ccc3N=C2C(C)C)c4ccc(F)cc4)C1,CHEMBL244521,3.6
+COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc5ccc(C)nc5,CHEMBL411799,3.6
+C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N5CCOCC5,CHEMBL402507,4.14
+CC(C)Oc1cc(OCCCN2CCCC2)cc3ncnc(Nc4c(Cl)ccc5OCOc45)c13,CHEMBL214376,3.1
+COc1cc2c(Nc3c(Cl)ccc4OCOc34)ncnc2cc1OCCCN5CCCC5,CHEMBL385723,1.62
+CC(=O)Nc1ccc2ccn(c3cc(NCCCCO)n4ncc(C#N)c4n3)c2c1,CHEMBL2062572,2.58
+CN(C)CCCNc1cc(nc2c(cnn12)C#N)n3ccc4ccc(NC(=O)C)cc34,CHEMBL2062575,1.62
+CNc1nc2ccccc2n1Cc3sc4N(CC(C)C)C(=O)N(C)C(=O)c4c3C(=O)N5CC[C@@H](O)C5,CHEMBL426851,1.61
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cn3c(C)nc4ccccc34)c2C(=O)N5CC[C@@H](O)C5,CHEMBL204772,1.34
+Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(CC#Cc4ccccc4)C3=O,CHEMBL226781,1.78
+CC(C#Cc1ccccc1)N2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3,CHEMBL387658,1.4
+CN(C1CCN(Cc2ccc(cn2)C(F)(F)F)CC1)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010838,1.9
+CN([C@@H]1CCN(Cc2ccc(cn2)C(F)(F)F)C[C@@H]1F)C(=O)Cc3ccc(cc3)n4cnnn4,CHEMBL2010848,2.1
+OCC[C@]1(CCCNC1)c2oc3ccccc3c2,CHEMBL2321994,0.06
+OCC[C@@]1(CCCNC1)c2oc3ccccc3c2,CHEMBL2321993,0.12
+COc1ccc(c(C)n1)c2cccc3c(N)c4C(=O)N(Cc4nc23)C5CCC5,CHEMBL2068881,3.92
+COc1ncccc1c2cccc3c(N)c4C(=O)N(Cc4nc23)C5CCC5,CHEMBL1783287,3.26
+NC(=O)C1=CN(Cc2ccc(F)c(F)c2)C(=O)C=C1,CHEMBL1903477,1.37
+NC(=O)C1=CN(Cc2ccc(Cl)cc2Cl)C(=O)C=C1,CHEMBL1881943,2.36
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2,CHEMBL514690,2.88
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)N4CCOCC4)ncc2F,CHEMBL515001,3.01
+CSc1nc(nn1Cc2ccccc2)c3ccccc3,CHEMBL314034,3.83
+Nc1nc(nn1Cc2ccccc2)c3ccccc3,CHEMBL86276,1.91
+C(N(Cc1ccccc1)c2nn[nH]n2)c3ccccc3,CHEMBL1456596,1.37
+Clc1ccc(CN(Cc2ccc(Cl)cc2)c3nn[nH]n3)cc1,CHEMBL186174,2.74
+COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F,CHEMBL28636,2.8
+Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,CHEMBL118,3.42
+CN1CC=CCC(C1)c2oc3ccccc3c2,CHEMBL2326689,2.47
+C1NCC(CC=C1)c2oc3ccccc3c2,CHEMBL2326690,1.94
+Oc1ccc(cc1)C2CC(=O)c3ccc(O)cc3O2,CHEMBL271939,2.4
+Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2,CHEMBL32571,2.6
+Oc1nc2cc(Cl)cc(Cl)c2c(O)c1c3ccccc3,CHEMBL104298,1.6
+Oc1nc2ccccc2c(O)c1c3ccccc3,CHEMBL324519,0.73
+CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[C@@](O)(CC)C(=O)OC4,CHEMBL837,1.6
+CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O,CHEMBL84,0.31
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC[C@@H](O)C4,CHEMBL208487,2.74
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCCC4,CHEMBL383669,3.8
+COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,CHEMBL6966,2.61
+CC(C)C(CCCN(C)CCc1ccccc1)(C#N)c2ccccc2,CHEMBL173809,3.6
+CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N,CHEMBL474484,0.7
+CC(C)CNc1nc(nc(N2CCN(CC2)C(=O)C)c1N)C#N,CHEMBL514805,2.4
+O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c3ccccc3,CHEMBL1430654,4.02
+COc1ccc(cc1OC)C(=O)Nc2cccc(NC(=O)c3ccc(OC)c(OC)c3)n2,CHEMBL1497909,3.5
+Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc4cscn4,CHEMBL2325014,2.3
+Nc1n[nH]cc1c2cc(ccc2Oc3cc(F)c(cc3Cl)S(=O)(=O)Nc4cscn4)C(F)(F)F,CHEMBL2325601,2.65
+CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,CHEMBL173706,-0.35
+CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2,CHEMBL499,-0.22
+Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c3ccc4ncccc4c3,CHEMBL481563,3.87
+CN(c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc4ncccc4c3)c2)S(=O)(=O)C,CHEMBL454616,2.8
+CC1CCC(CC(=O)Nc2cccc3ncccc23)CC1,CHEMBL550438,3.56
+OCCCNc1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1,CHEMBL555033,3.29
+Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(C)n1,CHEMBL1308863,2.96
+Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C,CHEMBL87277,3.97
+Cc1cc2cc(C)c3nnc(SCC(=O)N4CCN(CC4)C(=O)c5occc5)n3c2cc1C,CHEMBL2361579,2.8
+Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(CC4)C(=O)c5occc5)n3c2c1,CHEMBL1308362,2.3
+Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4ccsc4)C3=O,CHEMBL226856,1.11
+CC(N1NC(=O)C2=C(C1=O)C(=O)c3ccc(Cl)cc3N2)c4ccsc4,CHEMBL226905,0.9
+CN1CCN(CC1)c2cc(F)cc3C(=O)C=C(Nc23)C(=O)Nc4ccc(cc4)N5CCOCC5,CHEMBL225363,2.7
+COc1cc(N2CCN(C)CC2)c3NC(=CC(=O)c3c1)C(=O)Nc4ccc(cc4)N5CCOCC5,CHEMBL224399,2.7
+CCNc1nc(Nc2ccccc2)nc(n1)C#N,CHEMBL567161,3.11
+Nc1ncnc(Nc2ccccc2)n1,CHEMBL13589,1.4
+CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC,CHEMBL2023802,3.29
+CCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C,CHEMBL2023801,2.79
+CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3cccc(N)c3)N4CCOCC4,CHEMBL2325714,1.35
+CS(=O)(=O)C1(CC1)c2cc(nc(n2)c3ccccc3)N4CCOCC4,CHEMBL2325713,2.6
+COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1,CHEMBL426161,2.0
+COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC4CCNCC4,CHEMBL26456,1.1
+CCOC(=O)Nc1cccc(c1)[C@H](N2CCN(Cc3nc[nH]c3C)CC2)c4ccc(cc4)C(=O)N(C)CC,CHEMBL1939749,2.32
+CCOC(=O)Nc1cccc(c1)[C@H](N2CCN(Cc3c[nH]c(C)n3)CC2)c4ccc(cc4)C(=O)N(C)CC,CHEMBL1939750,2.11
+O=C1Nc2ccccc2C(=O)C=C1,CHEMBL358816,1.02
+Cc1cc2NC(=O)C(=CC(=O)c2cc1C)O,CHEMBL142653,1.99
+NC12CC3CC(CC(C3)C1)C2,CHEMBL660,-0.98
+CC12CC3CC(C)(C1)CC(N)(C3)C2,CHEMBL807,0.06
+Nc1cc(nc2ccc(Nc3cc(nc(N)n3)c4cccc(Cl)c4)cc12)c5ccc(F)cc5,CHEMBL2152076,2.5
+Nc1cc(nc2ccc(Nc3cc(nc(N)n3)c4ccc(cc4)C(F)(F)F)cc12)c5ccc(F)cc5,CHEMBL2152074,1.54
+OCC[C@@]1(CCCNC1)c2ccc(Cl)c(Cl)c2,CHEMBL2321991,0.61
+OCC[C@]1(CCCNC1)c2ccc(Cl)c(Cl)c2,CHEMBL2321992,0.62
+Cc1ccc(cc1)c2cccc(c2)c3nn[nH]n3,CHEMBL2089276,1.3
+N#Cc1cccc(c1)c2cccc(c2)c3nn[nH]n3,CHEMBL2089275,0.7
+Clc1ccccc1CCNC(=O)c2cc(ccc2Cl)N3N=CC(=O)NC3=O,CHEMBL559968,1.29
+Clc1ccc(cc1C(=O)NCCc2ccccc2)N3N=CC(=O)NC3=O,CHEMBL1779503,0.74
+C[C@@H]1N[S@@](=O)(=NC1=O)c2cccc(c2)c3ccc(C)cc3,CHEMBL2089280,1.6
+C[C@@H]1N[S@@](=O)(=NC1=O)c2cccc(c2)c3cccc(c3)C#N,CHEMBL2089279,0.4
+CSc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N,CHEMBL174107,-0.84
+CC1N=C(N)N=C(N)N1c2ccc(Cl)cc2,CHEMBL93484,-0.8
+CC(C)OC(=O)N1CCC(CC1)Oc2ncnc(Nc3ccc(nc3C)S(=O)(=O)C)c2C,CHEMBL1951022,2.8
+COc1c(Nc2ccc(nc2C)S(=O)(=O)C)ncnc1OC3CCN(CC3)C(=O)OC(C)C,CHEMBL1951032,2.4
+C[C@@H](NC(=O)C1CCCCN1C)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335898,3.34
+C[C@@H](NC(=O)[C@H]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335897,2.15
+Cc1nc2ccc(Cl)cn2c1c3ccnc(N)n3,CHEMBL2334590,2.49
+Cc1ccn2c(c(C)nc2c1)c3ccnc(N)n3,CHEMBL2334575,2.39
+CSc1ncccc1C(=O)Nc2nccs2,CHEMBL1542764,1.43
+O=C(Nc1nccs1)c2cccnc2,CHEMBL92172,2.25
+COC(=O)C1=Nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2NC1=O,CHEMBL272105,2.49
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3NC(=O)C=Nc13,CHEMBL256668,3.1
+COc1ccc(c(OC)n1)c2c(F)ccc3c(N)c(nnc23)C(=O)NC4CC4,CHEMBL1783284,3.37
+COc1ncc(C)cc1c2cccc3c(N)c(nnc23)C(=O)NC4CC4,CHEMBL1783286,3.4
+Oc1ccc(cc1)N2C=Nc3cc(O)ccc3C2=O,CHEMBL203370,1.6
+CCOc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CC,CHEMBL2360367,3.27
+CN1SC(=NC1=O)NC(=O)c2cccc(Cl)c2,CHEMBL1362558,0.87
+CN1SC(=NC1=O)NC(=O)c2ccccc2,CHEMBL259515,1.13
+COc1ccc(cc1)C2=CC(=O)c3ccccc3N2,CHEMBL1373079,2.71
+Oc1ccc(cc1)C2=CC(=O)c3ccccc3N2,CHEMBL2030006,2.34
+COc1cc(OC2CCN(CC2)C(=O)C)ccc1Nc3ncc(Cl)c(n3)c4cnc5ccccn45,CHEMBL1809049,4.0
+COc1cc(OC2CCNCC2)ccc1Nc3ncc(Cl)c(n3)c4cnc5ccccn45,CHEMBL1809050,1.8
+COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccc(C)cc2)c3ccc(C)cc3,CHEMBL2207600,0.06
+COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccccc3,CHEMBL2207599,-0.8
+Nc1nc(Nc2cccc(Br)c2)c3nc[nH]c3n1,CHEMBL1939414,3.04
+Nc1nc(Nc2ccc(F)c(Cl)c2)c3nc[nH]c3n1,CHEMBL1939418,2.75
+CC(C)CC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccncc4,CHEMBL1184060,1.64
+CCCCC(N1NC(=O)c2nc3cc(Cl)ccc3c(O)c2C1=O)c4ccncc4,CHEMBL1180272,1.4
+CNC(=C[N+](=O)[O-])NCCSCc1oc(CN(C)C)cc1,CHEMBL1790041,-0.95
+ON=Cc1oc(cc1)[N+](=O)[O-],CHEMBL2362258,1.31
+CCN(CCN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cccnc3,CHEMBL2177167,2.0
+COCCNS(=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cccnc3,CHEMBL2177159,2.26
+Fc1cc(cc(F)c1C2=CCN(CC2)C=O)N3C[C@H](COc4ccon4)OC3=O,CHEMBL133501,2.01
+OC[C@H](O)C(=O)N1CCC(=CC1)c2ccc(cc2F)N3C[C@H](COc4ccon4)OC3=O,CHEMBL132293,1.09
+CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,CHEMBL4,-0.45
+C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,CHEMBL33,-0.35
+COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,CHEMBL62193,0.2
+COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,CHEMBL1539,-0.73
+COCCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)cc1,CHEMBL1945293,-0.54
+COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3NC(=O)Sc23)c1,CHEMBL1945292,0.01
+COc1cccc(c1)c2c[nH]c(n2)c3ccccc3,CHEMBL296572,3.8
+c1ccc(cc1)c2c[nH]c(n2)c3ccccc3,CHEMBL327027,3.8
+OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc4ccccc4F)c2)nc1,CHEMBL373364,3.0
+OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc4ccccc4)c2)nc1,CHEMBL194102,2.7
+CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C,CHEMBL517,-0.54
+CN(C)CCOC(C)(c1ccccc1)c2ccccn2,CHEMBL1004,-0.2
+COc1cnc(nc1N(C)C)c2ccccn2,CHEMBL1381135,1.9
+COc1cnc(nc1NC(C)C)c2ccccn2,CHEMBL578675,2.01
+Clc1ccc(cc1)C(=O)Nc2oc(nn2)C(=O)Nc3ccc(cc3)N4CCOCC4,CHEMBL2036736,1.92
+O=C(Nc1oc(nn1)C(=O)Nc2ccc(cc2)N3CCOCC3)c4ccccc4,CHEMBL2036747,1.02
+CC(C)(CCCCCOCCc1ccccc1)NCCc2ccc(O)c3nc(O)sc23,CHEMBL322479,2.92
+Oc1ccc(CCNCCCCCCOCCc2ccccc2)c3sc(O)nc13,CHEMBL320714,2.21
+O=C1CCCCCN1,CHEMBL276218,-0.08
+CC(C)(C)C(=O)N[C@H]1CCCCNC1=O,CHEMBL512607,0.58
+COc1cc(OC)c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCCCC3,CHEMBL1951182,-0.72
+COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)NCc2ccccc2N3CCC(CO)CC3,CHEMBL1951181,1.03
+Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1,CHEMBL565079,3.1
+CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1,CHEMBL563886,2.6
+COC(=O)[C@@H](N1CCc2sccc2C1)c3ccccc3Cl,CHEMBL1771,3.69
+Clc1ccccc1CN2CCc3sccc3C2,CHEMBL833,3.46
+CN1C(=O)C=C(CCc2ccc3ccccc3c2)N=C1N,CHEMBL237889,2.7
+Clc1ccc2ncccc2c1C(=O)NCC3CCCCC3,CHEMBL558748,2.65
+CC1CC(N(C(=O)C)c2ccccc2)c3ccccc3N1S(=O)(=O)c4ccccc4,CHEMBL1081772,3.68
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4ccccn4)c1,CHEMBL1824376,1.78
+COc1cc(F)ccc1c2cncc(CNC3CCCCC3)c2,CHEMBL1779007,2.6
+CCOC(=O)c1ccc(OCC2CN(C2)c3ccc(C)nn3)cc1,CHEMBL1835910,3.1
+COC(=O)COc1ccc(cn1)C(=O)Nc2ccc(F)cc2,CHEMBL36643,2.43
+CN1CCC[C@@H]([C@H]1C(=O)Nc2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NO,CHEMBL134908,2.41
+O[C@@H](CNCCOCCCNCCc1cccc(Cl)c1)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807832,0.83
+Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,CHEMBL438,-0.51
+CCNC(=O)Nc1nc2cc(ccc2[nH]1)c3cccnc3,CHEMBL472524,2.34
+OC(=O)[C@H](Cc1ccc(cc1)N2CCN(CC2)c3ccccc3)NC(=O)c4c(Cl)cccc4Cl,CHEMBL402311,0.08
+Cc1ccnc2nc(nn12)C(=O)Nc3nccs3,CHEMBL1605804,0.31
+CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(OCc3ccc(cc3)S(=O)(=O)C)nn2,CHEMBL2086657,2.93
+C(Cn1c2CCCCc2c3c(nc(nc13)N4CCCC4)N5CCCC5)N6CCOCC6,CHEMBL335759,3.6
+COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(cn4)N(C)C)c3)c2cc1OC,CHEMBL1940107,2.36
+COc1cc2c(Nc3c(Cl)ccc4OCOc34)ncnc2cc1OCCCN5CCCCC5,CHEMBL169186,2.05
+CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1NS(=O)(=O)c3ccc(C)cc3,CHEMBL1916267,1.52
+CNC(=O)c1cccc(c1c2ccc(CC(C)C)cc2)S(=O)(=O)Nc3ncc(C)nc3OC,CHEMBL32066,1.68
+OC(=O)COc1ccc(cc1c2ccccc2c3ccccc3)C(F)(F)F,CHEMBL1778630,1.38
+COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3,CHEMBL193233,-1.01
+Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)cc2Cl)cn1,CHEMBL255170,3.4
+C[C@H](Nc1cncc(Nc2ncc(C)s2)n1)c3ncc(F)cn3,CHEMBL1087898,1.91
+Fc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1,CHEMBL1609717,3.1
+Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3nc(N4CCOCC4)c5oc6ncccc6c5n3,CHEMBL2178735,3.44
+CC(C)N1CCC[C@H](CN2C(=Nc3ccc(Oc4ccc(F)cc4)cc3C2=O)C)C1,CHEMBL243001,2.4
+C[C@H](NC(=O)c1c(C)nn(C2CCCCC2)c1NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C,CHEMBL1934415,1.97
+O=S(=O)(Nc1cccc2[nH]ncc12)c3cccs3,CHEMBL1527495,1.7
+CC(=O)N[C@@H]1CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c6ccccc16,CHEMBL1934123,2.96
+C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCN2CCOCC2)C(F)(F)F,CHEMBL75821,2.14
+CCOc1ccccc1N2CCN(Cc3c[nH]nc3c4ccc(F)cc4)CC2,CHEMBL1443631,3.38
+OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N4CCC[C@H]4C#N,CHEMBL142703,-0.48
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c2cccnc2)C(F)(F)F,CHEMBL139557,2.08
+c1ccc(cc1)c2[nH]nc3ccccc23,CHEMBL315708,3.79
+O=C(CN1CCOCC1)Nc2ccc(cc2OCC3CC3)c4cccc5C(=O)C=C(Oc45)N6CCOCC6,CHEMBL1669154,3.3
+O=C1NC(=O)C(Cc2ccc3ccccc3c2)S1,CHEMBL281266,2.41
+COc1ccc(cc1)c2nc(N)s[n+]2c3ccccc3,CHEMBL1739708,2.19
+O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c3ccc(O)c4NC(=O)Sc34,CHEMBL1807820,3.12
+NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c4cccc5ccccc45,CHEMBL412119,1.9
+CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-],CHEMBL1274,1.74
+C[C@@H](NC(=O)[C@H]1CCCNC1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335900,1.69
+Nc1n[nH]c2ncc3CCCCCCc3c12,CHEMBL1927251,2.54
+CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C3CCN(CCC(c4ccccc4)c5ccccc5)CC3)cc1,CHEMBL182074,2.89
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cc3ccsc3[nH]2,CHEMBL218712,3.1
+CNC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3,CHEMBL451,2.41
+O=C(CSc1ccccc1)N2CCN(CC2)C(=O)c3occc3,CHEMBL1448843,1.6
+O=C(NC1CC1)c2cc(on2)c3cccs3,CHEMBL1222381,2.54
+CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)c3ccc(cc3)C(F)(F)F)CC1)C4=CNC(=O)C=C4,CHEMBL562847,2.89
+Clc1cc(Cl)c2c3C(=O)NNC(=O)c3[nH]c2c1,CHEMBL334492,1.02
+Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CCOC5,CHEMBL524165,0.8
+COc1cc(F)ccc1c2cccc(CNC3CCCC3)c2,CHEMBL1779004,2.29
+CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@@H]12)C(C)(C)C,CHEMBL511444,1.94
+CNc1c(Br)cnc2[nH]c(nc12)c3ccnc(N)c3,CHEMBL2011912,2.83
+CCOc1ccc(cc1)c2cnc3CCCCCn23,CHEMBL1609658,3.01
+Cc1cc(C)cc(c1)c2c(O)nc3cc(Cl)c(cc3c2OCCC4CCCCN4)C(=O)Nc5ccncn5,CHEMBL1184268,1.7
+Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4cn[nH]c4,CHEMBL428462,1.51
+Fc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)N3CCOCC3,CHEMBL1338338,1.61
+CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4,CHEMBL841,3.47
+Cc1nc2nc(NC(=O)c3ccc(F)cc3)nn2c(O)c1Cc4ccccc4,CHEMBL1356763,2.2
+NC(=N)Nc1oc2ccccc2n1,CHEMBL1407985,1.91
+COc1cc(F)ccc1c2cc(CNC3CCCC3)ccn2,CHEMBL1779006,1.71
+CC1=NC(C)(N=C1N)c2cccc(c2)c3cccnc3,CHEMBL2180019,1.7
+C[C@@H](NC(=O)C1CCNCC1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335901,0.4
+CNc1cccc(CCCc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)n1,CHEMBL2030963,0.57
+O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O,CHEMBL1201753,0.91
+CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3,CHEMBL1008,3.66
+CN1CCC(CC1)Oc2cccc3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23,CHEMBL436511,3.21
+Nc1sc2CCCCc2c1C(=O)NCc3ccccc3,CHEMBL1632052,3.52
+CN1CCOc2cc(OC(=O)c3ccccc3)cnc12,CHEMBL1682829,3.3
+COc1cc(OC2CCN(C)CC2)c3c(Nc4cccc5OCCOc45)ncnc3c1,CHEMBL262721,2.26
+COc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1,CHEMBL407960,4.25
+Cc1ccc(cc1)c2nnc(N3CCN(CC3)C(=O)c4occc4)c5ccccc25,CHEMBL1508646,3.78
+CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,CHEMBL12610,2.4
+Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(Oc4cccnc4)nc3,CHEMBL2036584,3.1
+CC(C)c1ccc(Sc2cnc(O)c(c2)C(=O)NCc3ccccc3)cc1,CHEMBL2314383,3.7
+Cn1cnc2c(c3ccc(cc3)C4(N)CCC4)c(ccc12)c5ccccc5,CHEMBL2035037,2.5
+CO[C@@H]1CC[C@@]2(CC1)Cc3ccc(cc3C24N=C(C)C(=N4)N)c5cc(Cl)cc(c5)C#N,CHEMBL2152915,3.8
+CC(C)C(NC(=O)CN1C(=O)C2=C(C=C1c3ccccc3)C(=O)N(CCN4CCOCC4)C(=O)N2)C(=O)C(F)(F)F,CHEMBL14293,1.91
+Clc1ccc2OCOc2c1Nc3ncnc4cc(OCCCN5CCCC5)cc(OC6CCOCC6)c34,CHEMBL217090,2.3
+O[C@@H](CNCCOc1cccc(CNCCc2ccccc2F)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945298,1.86
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4nc5ccccc5[nH]4,CHEMBL2059859,3.24
+CCCc1c(cnn1c2ccccc2)C(=O)Nc3ccc(F)cc3C,CHEMBL1351893,3.89
+O=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1,CHEMBL597424,2.84
+Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N,CHEMBL865,2.37
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CCCN4CCOCC4)c5ccc(Cl)cc5,CHEMBL2325995,2.7
+CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N4CCOCC4,CHEMBL98760,2.78
+COc1nc(Br)cnc1NS(=O)(=O)c2ccc(Cl)s2,CHEMBL2011441,0.99
+CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c5ccccc5)(C2)c6ccc(Cl)c(Cl)c6)c1,CHEMBL1178725,1.23
+CCCN1CCN(CC1)c2ccc(cc2)C(=O)NC3(CCCCC3)C(=O)NCC#N,CHEMBL371064,1.33
+NC(=O)N1c2ccccc2C=Cc3ccccc13,CHEMBL108,1.65
+CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,CHEMBL258282,2.45
+CC1=CN([C@H]2CCCN(C2)[C@H](CC3CCCCC3)c4ccc(C(=O)O)c(Oc5cccc(Cl)c5)c4)C(=O)NC1=O,CHEMBL2179284,1.83
+Nc1ncnc2sc(nc12)c3c(ncn3Cc4ccccc4N5CCOCC5)c6ccccc6,CHEMBL1079773,3.58
+Clc1ccc(CNc2nc(nc3ncccc23)N4CCN(CC4)C(=O)[C@H]5CCCCN5)c(Cl)c1,CHEMBL2018953,2.27
+Nc1ccc2c3ccccc3C(=O)c2c1,CHEMBL1698358,2.9
+C1CN2CCC1C(=C2)c3oc4ccccc4c3,CHEMBL109405,2.59
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4cccnc4,CHEMBL1223459,2.72
+CCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc3cccc(O)c3,CHEMBL1824379,2.46
+CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,CHEMBL516,3.06
+Cc1oc(CN2CCNCC2)cc1C(=O)NCC34CC5CC(CC(C5)C3)C4,CHEMBL427851,1.03
+NC(=O)Nc1sc(cc1C(=O)N)c2ccc(CN3CCCCC3)cc2,CHEMBL507700,1.75
+CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,CHEMBL1589,-0.49
+OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3,CHEMBL469,-0.93
+Brc1ccc(cc1)C2NC(=O)c3ccccc3N2,CHEMBL1550191,2.68
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(N)c(n3)C(=O)Nc4cnccc4CN5CCCC5,CHEMBL2177173,3.28
+NC1(CCC1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3c5ccccc5,CHEMBL2035038,1.5
+COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4,CHEMBL957,1.03
+C[C@H](Nc1nc(Nc2cc([nH]n2)C3CC3)cnc1C#N)c4ccc(F)cn4,CHEMBL578194,3.18
+COc1cccc(OC)c1c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2,CHEMBL91485,-0.27
+O=C(Nc1cc(ccn1)c2ccnc(Nc3ccccc3)c2)C4CCOCC4,CHEMBL203059,3.7
+O=C(Oc1ccc2C(=O)CCOc2c1)c3ccccc3,CHEMBL1682821,3.6
+CC(C)(C)c1ccc(cc1)C2=NC(=O)C(CC(=O)O)S2,CHEMBL1612837,-0.1
+OC(=O)c1[nH]c2ccccc2c1CC(=O)Nc3cccc(c3)C(F)(F)F,CHEMBL1890574,1.33
+COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c3ncc(F)cn3)n1,CHEMBL1088029,2.99
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(Oc4ccccc4)nc23,CHEMBL1807854,1.05
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccn(C)c3C(=O)N2Cc4ccccc4,CHEMBL1829423,1.8
+CN(c1ccnc(Nc2cc(nc(n2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762551,3.9
+O=C1N2C=CC=CC2=Nc3ccccc13,CHEMBL1502567,2.1
+Nc1ncc(cc1c2oc3ccccc3n2)c4cnn(c4)C5CCOCC5,CHEMBL1199987,4.0
+CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5cncn5C,CHEMBL2088120,4.1
+C[C@H](NC(=O)\C=C\c1ccccc1)c2cccc(c2)N3CCOCC3,CHEMBL317935,3.24
+Clc1ccccc1CNC[C@@H]2CC[C@@H](CNCc3ccccc3Cl)CC2,CHEMBL2062162,2.74
+c1ccc(nc1)c2n[nH]cc2c3ccnc4ccccc34,CHEMBL261454,2.57
+COc1ccc(N(C(C(=O)NC2CCCC2)c3ccccc3F)C(=O)C)c(OC)c1,CHEMBL450470,2.81
+OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F,CHEMBL106,0.48
+CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24,CHEMBL715,2.19
+CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3,CHEMBL87543,2.3
+C(C1NCCc2ccccc12)c3ccccc3,CHEMBL21640,1.89
+COC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c4ccnc(n4)n5ccnc5,CHEMBL290548,1.88
+CC(C)Oc1cc(OCCN2CCN(CC2)C(=O)C)cc3ncnc(Nc4c(F)ccc5OCOc45)c13,CHEMBL386996,3.06
+CNc1ncnc2c(CNc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C)cccc12,CHEMBL1257599,4.0
+O=C(Nc1ccncc1)c2cccc3ccccc23,CHEMBL1381233,3.1
+CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)c3ccc(O)cc3)c1)NC[C@H](O)c4ccc(O)c(NS(=O)(=O)C)c4,CHEMBL1240967,1.91
+NC(=O)C1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1,CHEMBL2144138,0.4
+OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2,CHEMBL2001019,1.7
+COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN5CCOCC5,CHEMBL202721,3.5
+COc1cc2c3N([C@H](C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C,CHEMBL2017291,3.15
+OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1,CHEMBL1688458,2.47
+OC(=O)COc1ccc(Cl)cc1CN2CCC(CC2)S(=O)(=O)c3ccccc3,CHEMBL1689116,0.48
+COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c3ccc(C)cc3)cc1OCCN(C)C,CHEMBL2018954,1.68
+Nc1c(nc(nc1N2CCOCC2)C#N)N3CCCCC3,CHEMBL471951,2.71
+NS(=O)(=O)c1cccc2c3nc(O)c(O)nc3cc(c12)[N+](=O)[O-],CHEMBL222519,0.36
+COc1cc(F)ccc1c2cccc(CNC3CCCC3)n2,CHEMBL1779005,2.06
+Fc1ccc(NC(=S)N2CCC(CC2)C(=O)c3ccc(F)cc3)cc1,CHEMBL1703687,3.4
+COc1cc(cc(OC)c1OC)c2nnc(S)n2c3cccc(c3)C(F)(F)F,CHEMBL1487890,2.27
+COc1cc(F)ccc1c2cncc(CNC(=O)c3cnccn3)c2,CHEMBL1779012,2.5
+OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,CHEMBL86715,1.78
+Nc1c(NC2CCCCC2)nc(nc1N3CCOCC3)C#N,CHEMBL471584,2.81
+Oc1cc(O)c2C(=O)C(=COc2c1)c3ccc4OCOc4c3,CHEMBL591023,3.5
+O=C1C=C(N=C2C=CC=CN12)N3CCOCC3,CHEMBL179043,1.0
+Nc1ccc2cccc(Nc3ncccn3)c2n1,CHEMBL117368,2.7
+C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NCCCc4ccccc4O1,CHEMBL1963249,3.3
+COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C4(CCN(C)CC4)C(=O)N,CHEMBL207130,2.16
+NC1=NC(c2cccc(c2)c3cncnc3)(c4ccnc(c4)C(F)(F)F)c5cccc(F)c15,CHEMBL2177906,3.4
+CC(C)Nc1ccc2cnn(c3cncc(n3)n4ccc(CC(=O)O)c4)c2c1,CHEMBL1231683,1.24
+Nc1nc(nc2c1nc(O)n2Cc3ccccc3)c4ccccc4,CHEMBL149979,4.16
+OC(=O)c1cncc(c1)c2ccc(Cl)c(c2)C(=O)NCC34CC5CC(CC(C5)C3)C4,CHEMBL550902,0.85
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cccc(c5)N6CCOCC6)ccc4C,CHEMBL2031221,2.69
+Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CC4CC4)C3)CC2)cc1Cl,CHEMBL2036754,2.54
+NCC[C@@H](Sc1cc(Cl)ccc1C#N)c2ccccc2,CHEMBL1789155,1.26
+OC(=O)C[C@@H]1CC[C@H](CC1)c2ccc(NC(=O)c3oc(Nc4ccccc4F)nn3)cc2,CHEMBL2036745,2.48
+NC(=O)c1cnc(N[C@H]2CCCNC2)c3cc(Br)sc13,CHEMBL1288306,1.08
+Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3,CHEMBL483254,1.1
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4ccccn4,CHEMBL2325989,1.3
+Nc1nc(N)c2nc(CO)cnc2n1,CHEMBL78951,-0.45
+CN(CCOc1ccccc1c2cc(C(=O)N)c(NC(=O)N)s2)Cc3ccccc3,CHEMBL514980,3.46
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4cc(n[nH]4)C(F)(F)F,CHEMBL2059871,2.44
+CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,CHEMBL406,1.83
+Cc1ccsc1C(=CCCN2CCC[C@H](C2)C(=O)O)c3sccc3C,CHEMBL1027,1.49
+Cc1oc(CN2NC(=O)C3=C(C2=O)C(=O)c4ccc(Cl)cc4N3)cc1C,CHEMBL388336,1.0
+COc1ccc2C=CC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2n1,CHEMBL1916545,1.16
+OC(=O)CCC(=O)N1CCC(CC1)c2onc(n2)c3cccs3,CHEMBL1773959,-1.27
+CCO\N=C(\C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(Cl)cncc3Cl)/c4ccc(Br)cc4,CHEMBL350563,4.0
+CC(C)OC(=O)N1CCC(CC1)Oc2ncnc3N(CCc23)c4ccc(cc4F)S(=O)(=O)C,CHEMBL2177777,3.4
+COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,CHEMBL1201256,0.74
+Cn1cc(cc1c2c3C(=O)N(CC#CCn4cncn4)C(=O)N(CC5CC5)c3nn2Cc6ccnc7ccc(Cl)cc67)C#N,CHEMBL2087855,3.43
+COc1ccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]4(O)CN5CCC4CC5)cc2)nc1,CHEMBL1940286,3.1
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cocc5)ccc4C,CHEMBL2031238,2.43
+COc1cccc(c1)[C@@H](C)NCCCc2ccccc2Cl,CHEMBL292376,3.0
+Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CCCO5,CHEMBL492671,0.9
+CNC(=O)c1[nH]cnc1C(=O)Nc2ccc(OC)cc2,CHEMBL1378202,2.2
+CCCSc1nc(Oc2ccc(CC(=O)O)cc2)ccc1C(=O)NC3CCCCC3,CHEMBL2153185,1.79
+COc1ccc(cc1)c2nc3c(NCC4CCNCC4)c(Br)cnc3[nH]2,CHEMBL2011926,1.36
+C[C@@H]1CN(CCN1c2ncc(OCc3ccc(cn3)S(=O)(=O)C)cn2)C(=O)OC(C)(C)C,CHEMBL2086674,3.0
+COc1cnc(nc1N2CCOCC2)c3ccccn3,CHEMBL2070121,1.52
+CCCN1CCC(CC1)Oc2nccc(Nc3cc(NC(=O)c4cccc(c4)N5CCOCC5)ccc3C)n2,CHEMBL361431,2.6
+CCc1nn(C2CCCC2)c3c1CCn4c(nnc34)c5cccs5,CHEMBL217899,3.6
+NC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)cn1,CHEMBL1224285,1.51
+CCN1C2=NC(=O)N(C)C(=O)C2=Cc3ccccc13,CHEMBL472210,1.1
+CNC1=Nc2ncccc2C(=NC1c3cccs3)c4ccccc4,CHEMBL474200,2.68
+Cc1c(F)cc(cc1c2ccc(cn2)C(=O)NCC(C)(C)C)C(=O)NC3CC3,CHEMBL1088752,3.5
+CSc1ncccc1C(=O)NCC2CCCCC2,CHEMBL1479580,2.93
+CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4,CHEMBL163,4.3
+CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,CHEMBL5,-0.1
+Clc1ccc2OCOc2c1Nc3ncnc4cc(OCCN5CCCC5)cc(OC6CCOCC6)c34,CHEMBL385563,2.6
+O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945034,-0.25
+O=C(CSc1ccccc1)N2CCN(CC2)c3ccccc3,CHEMBL1500992,3.2
+Cc1ccccc1CN2CCC(CC2)N3CCC(CC3)N4C(=O)Nc5ccccc45,CHEMBL522460,2.68
+COc1ccc2N=NC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1916547,-0.65
+CC1=C2C(=CC(=O)N1Cc3ccccn3)NN(C2=O)c4ccccc4Cl,CHEMBL1276946,0.2
+CCN(CC)C(=O)c1ccc(cc1)C(N2CCNCC2)c3cccc4cccnc34,CHEMBL129420,0.7
+C[C@H](Nc1ncc(F)c(Nc2cc([nH]n2)C3CC3)n1)c4ccc(F)cn4,CHEMBL457393,3.14
+OC1=NC(=O)C(N1)(c2ccccc2)c3ccccc3,CHEMBL16,2.41
+Cn1cc(cn1)c2cccc(C[C@H](NC(=O)c3cc(nn3C)C(C)(C)C)C(=O)NCC#N)c2,CHEMBL563471,2.6
+N#Cc1cccc(c1)c2onc(n2)c3ccccn3,CHEMBL361795,2.2
+SC1=Nc2[nH]cnc2C(=O)N1,CHEMBL218762,-1.48
+O=C(N1CCCCC1)c2csc3CCCCc23,CHEMBL1526668,3.2
+Cc1cc(CN2CCc3ccccc3C2C(=O)Nc4ccc(Cl)cc4Cl)ccc1OCC(=O)O,CHEMBL1643199,2.63
+CN(C)Cc1ccccc1Sc2ccc(C)cc2N,CHEMBL22183,2.6
+O=C(C1CC1)c2ccc(OCCCc3c[nH]cn3)cc2,CHEMBL14638,2.68
+Oc1c(C#N)c(nc2ccncc12)c3ccc(cc3)c4ccccc4CN5CCOCC5,CHEMBL1957377,2.0
+c1cnc2cccnc2c1,CHEMBL450643,0.89
+COc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1,CHEMBL2023483,3.78
+COc1cc(F)ccc1c2cncc(c2)C3CCCN3,CHEMBL1779009,1.1
+COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C,CHEMBL429023,3.57
+Cc1cc(N)c2cc(NC(=O)CC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,CHEMBL87266,1.35
+CC(Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C,CHEMBL1972466,3.6
+[O-][N+](=O)c1cccc(c1)c2ccc(OCC(CCc3ccncc3)N4C(=O)CCC4=O)cc2,CHEMBL335550,3.88
+CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1,CHEMBL14762,3.63
+CN(C)CCC=C1c2ccccc2COc3ccccc13,CHEMBL1628227,2.15
+Fc1ccccc1Nc2oc(nn2)C(=O)Nc3ccc(cn3)N4CCOCC4,CHEMBL2036572,2.4
+Clc1ccc(cc1C(=O)NCC23CC4CC(CC(C4)C2)C3)N5CCNCC5,CHEMBL393717,1.77
+O=C(N1CCC1)c2ccc(cc2)C(=C3CCN(Cc4cscn4)CC3)c5cccc6cccnc56,CHEMBL1946028,2.52
+O=S(=O)(Nc1cccnc1)c2ccc3OCCOc3c2,CHEMBL1522360,1.34
+CN(C)CCNc1cc(nc2cc(nn12)c3ccc(F)cc3)c4ccccc4,CHEMBL1857945,4.5
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)N[C@@H](CCN4CCCCC4)c5ccc(Cl)cc5,CHEMBL2325729,2.4
+COc1ccc(cn1)[C@@]2(O)CC[C@H](CC2)N3CC[C@H](C3)NC(=O)CNC(=O)c4cccc(c4)C(F)(F)F,CHEMBL1963131,1.72
+CCCCCCCN(CCc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)Nc2ccc(F)cc2F,CHEMBL124842,1.93
+COc1ccc(OC)c(c1)c2c(F)ccc3c(N)c(nnc23)C(=O)NC4CC4,CHEMBL1783271,3.47
+O=C1CCOc2nc(OCc3ccccc3)ccc12,CHEMBL1682826,3.1
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3Cc4ccncc4C3)c(F)c2,CHEMBL335749,3.02
+CN1C(=O)C=C(CCc2cccc(c2)c3cccnc3)N=C1N,CHEMBL235753,2.5
+Cn1c(ccc1c2ccc3NC(=O)OC(C)(C)c3c2)C#N,CHEMBL67860,2.85
+COc1ccc(cc1)c2nc3CCCn3c2Br,CHEMBL1619466,3.3
+Cc1nc(C)c(s1)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N,CHEMBL551060,2.0
+CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C,CHEMBL2158051,1.82
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3snc(C)c3C(=O)N2Cc4ccccc4,CHEMBL1829430,1.61
+Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4,CHEMBL81,4.13
+FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F,CHEMBL336546,1.8
+[O-][N+](=O)c1cc(C(=O)NCC=C)c2N=C(Nc3ccc(Cl)c(Cl)c3)NC(=O)c2c1,CHEMBL586058,2.7
+CCc1cccc(CC)c1NC(=O)N2Cc3[nH]nc(NC(=O)c4ccc(cc4)N5CCN(C)CC5)c3C2,CHEMBL363160,3.31
+NC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccsc4,CHEMBL2012857,3.18
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4nc(cs4)c5ccccc5,CHEMBL2069324,3.5
+C1CN2CCC1C(C2)c3oc(nn3)c4oc(cc4)c5cccnc5,CHEMBL2069929,1.2
+Cc1cc(CN2Cc3cccnc3CC2C(=O)Nc4ccc(Cl)cc4Cl)ccc1OCC(=O)O,CHEMBL1643203,1.15
+CN(c1ccnc(Nc2cc(cc(c2)N3CCOCC3)N4CCCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762538,3.3
+CN1CCN(CC1)C(=O)Cc2csc(NS(=O)(=O)c3cccc(Cl)c3C)n2,CHEMBL463978,0.57
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2,CHEMBL1950727,2.01
+CC(C)Oc1ccc(cc1C(=O)N2CCN(CC2)c3ccc(cc3)C(F)(F)F)S(=O)(=O)C,CHEMBL524645,3.33
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccsc3C(=O)N2Cc4cscn4,CHEMBL1829257,0.02
+CCOc1noc2cc(OCCC3CCN(CC3)c4ccc(C)nn4)ccc12,CHEMBL2062774,4.23
+O[C@H](CNC(=O)c1c[nH]nc1C2CC2)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2207661,3.15
+C[C@@H](NC1=CC(=O)CNC1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335906,2.49
+Clc1ccc(Cl)c(c1)S(=O)(=O)Nc2nc(cs2)c3sccc3Cl,CHEMBL1580660,2.11
+CN1C(=O)C=C(CCc2ccc3cc[nH]c3c2)N=C1N,CHEMBL237891,2.1
+C[C@H](Nc1nc(Nc2ncc(C)s2)cc(n1)N3CCN(C)CC3)c4ccc(F)cn4,CHEMBL1087268,2.9
+Cc1ccc(cc1NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N5CC6CNCC(C5)O6,CHEMBL550637,2.12
+Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@@H](CC4)c5nnn[nH]5)c2,CHEMBL2178370,1.4
+Cc1cccc(Br)c1C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O,CHEMBL309222,-0.13
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c2cc3sccc3[nH]2,CHEMBL374656,3.1
+COc1ccccc1N2CCN(CCN(C(=O)C3CCCCC3)c4ccccn4)CC2,CHEMBL31354,3.0
+Cn1c(ccc1c2cc(F)c3NC(=O)C(C)(C)c3c2)C#N,CHEMBL407848,3.21
+COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN3CCC(CC3)c4ccc(O)cc4[S+](C)[O-])c5ccc(Cl)c(Cl)c5)C#N,CHEMBL130902,3.5
+CN1C(=O)N(Cc2ccc(cc2)C(=O)O)C(=O)c3cc(ccc13)C#CCc4ccccc4,CHEMBL496942,2.5
+CN1CCN(CC1)c2nc3ccccc3cc2Cn4nc(c5ccc6nc(N)sc6c5)c7c(N)ncnc47,CHEMBL1213118,3.09
+COc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1,CHEMBL2098183,3.2
+CCOc1ccc(cc1)c2cnc3CCCn23,CHEMBL1620331,2.65
+CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5,CHEMBL402548,2.0
+Cc1cc(CNc2ncc(Br)c(Nc3cc([nH]n3)C4CC4)n2)on1,CHEMBL497854,3.43
+CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2,CHEMBL1419,3.6
+COc1ccc(cc1Cl)C(=O)NCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2,CHEMBL2171017,3.74
+Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3cccs3,CHEMBL488937,2.78
+OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1,CHEMBL207881,2.1
+NC(=N)c1cc2c(OCc3ccccc3)cccc2s1,CHEMBL598191,1.16
+CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc3c(N)ncnc13,CHEMBL113690,2.39
+CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O,CHEMBL513909,3.14
+CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCCC(O)(C2)c3ccc(Cl)c(Cl)c3)cc1,CHEMBL91023,3.93
+O=C1Nc2cc(ccc2C1c3ncnc4cc(OCCCN5CCOCC5)ccc34)C#N,CHEMBL606052,2.99
+OC(=O)c1ccc(cc1)n2ncc(C(=O)NC3C4CC5CC(CC3C5)C4)c2C6CCC6,CHEMBL2177605,1.33
+NC1(CCC1)c2ccc(cc2)c3nc4ccccc4cc3c5ccccc5,CHEMBL2035017,3.6
+COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23,CHEMBL723,3.27
+CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O,CHEMBL387675,-0.94
+CN(c1ccnc(Nc2cc(cc(c2)C(=O)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762542,2.2
+CN(C)C(=O)N1CCC(CC1)C(=O)NCc2cccs2,CHEMBL1715438,1.1
+CC(C)CNc1nc(nc(N2CC(O)C2)c1N)C#N,CHEMBL474830,2.0
+c1ccc2c(c1)nnn2c3ccncc3,CHEMBL2144949,1.69
+CCOC(=O)c1cc(O)c(nn1)c2ccccc2,CHEMBL260488,0.69
+OC(=O)C(N1CCCC(CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)C1)c4ccccc4,CHEMBL2158816,2.6
+NC(=N)c1cc2c(\C=C\c3ccc4OCOc4c3)cccc2s1,CHEMBL282625,2.2
+Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)c4OCC(=O)Nc14,CHEMBL2169920,2.23
+COc1ccc2nc(C)cc(c2c1)n3cc(CNC(=O)C)nn3,CHEMBL1783112,1.6
+O=S(=O)(NCCNc1ncccn1)c2cccc3cnccc23,CHEMBL341876,0.61
+O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N2CCC=CC2,CHEMBL2164673,0.9
+Oc1ccc(CCNCCCNS(=O)(=O)CCOCc2cccc3ccccc23)c4sc(O)nc14,CHEMBL325093,1.69
+Cc1onc(C)c1CCC2CCN(CC2)S(=O)(=O)CC3(CCC(F)(F)CC3)N(O)C=O,CHEMBL1784346,2.1
+O=C1C=C(Nc2ccccc12)c3occc3,CHEMBL2042442,2.21
+C[C@@H](NC1=CC(=O)CCC1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335903,3.17
+Clc1ccccc1NC(=O)c2cc[nH]n2,CHEMBL1587607,2.58
+Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCCNCC4,CHEMBL380648,0.1
+Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1,CHEMBL64941,3.8
+OC(=O)COc1ccc(Cl)cc1C2CCCCC2,CHEMBL245908,0.93
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2,CHEMBL1950723,1.9
+CC(CC(=O)NCc1ccccc1)C2CCCO2,CHEMBL1428115,2.1
+FC(F)(F)CCS(=O)(=O)Oc1ccc(NC(=O)c2ccc(Cn3ccnn3)c4ccccc24)c(n1)C(=O)NCC5CCOCC5,CHEMBL2316381,4.2
+CCN(C1CCN(CCC(c2ccccc2)c3ccc(NC(=O)Cc4ccccc4)cc3)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C,CHEMBL199118,3.61
+Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1,CHEMBL2326470,-0.12
+CN1CCC(CC1)NC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]4(O)CN5CCC4CC5)cc2,CHEMBL1940308,1.0
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)CN3C(=O)CCC3=O)C(=O)C(F)(F)F,CHEMBL325713,0.96
+O=C(Nc1ccc(nc1)N2CCOCC2)c3oc(Nc4cccc(OCc5ccccn5)c4)nn3,CHEMBL2036731,3.1
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)N5CC6COCC(C5)N6,CHEMBL1809060,3.0
+CC(C)[C@H](NC(=O)C[C@H](NC(=O)\C=C\c1ccccc1)c2ccccc2)C(=O)[C@H]3[C@H](C)C(=O)NC3=O,CHEMBL178835,1.91
+C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N2CCCCC2)C(F)(F)F,CHEMBL327693,2.62
+Oc1nc(nc2ccccc12)c3ccccc3,CHEMBL127066,2.46
+c1ccc2[nH]c(nc2c1)c3cscn3,CHEMBL625,2.35
+Cc1cc(Oc2ccnc(Nc3cccc(c3)N4CCOCC4)c2)c(nc1C)c5ccccn5,CHEMBL574413,3.27
+CCn1c(nc2c(ncc(OCC3CCCNC3)c12)C#CC(C)(C)O)c4nonc4N,CHEMBL2140607,0.6
+CN1C(=O)N(CC2CC2)c3nn(Cc4cn(C)c5ccc(Cl)cc45)c(c6cc(oc6C)S(=O)(=O)C)c3C1=O,CHEMBL467803,4.48
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)Nc5nccs5,CHEMBL2031241,2.56
+OC(c1ccccc1)c2cccnc2,CHEMBL1467518,1.72
+NC(=O)c1nnn(c1N)c2ccccc2,CHEMBL1881806,0.74
+Oc1cc(nc2ncnn12)c3ccccc3,CHEMBL1698932,-0.21
+Cc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c3ccc(F)cc3)cc1,CHEMBL1896341,2.9
+COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,CHEMBL22,0.63
+OC(=O)C[C@@H]1CC[C@H](CC1)c2ccc(cc2)c3ccc(Nc4ccc(nc4)C(F)(F)F)cn3,CHEMBL2364624,3.8
+Cc1oc(cc1C(=O)O)c2ccc(Cl)cc2,CHEMBL1438047,1.67
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(Cc4ccccc4)c5ccc(Cl)cc5,CHEMBL2325985,4.1
+CNC(=O)c1cccc(NC(=O)Nc2cccc(c2)C#N)c1CN3CCC(Cc4ccc(F)cc4)CC3,CHEMBL337962,3.97
+FC(F)(F)c1nn(cc1C(=O)NCCNC(=O)c2ccc(Cl)cn2)c3ccccc3,CHEMBL1089168,3.8
+CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC,CHEMBL560739,3.56
+O=C(OCCN1CCCCC1)c2c[nH]c3ccccc23,CHEMBL1255781,2.0
+CCCSc1c(cnn1C)C(=O)NC2CCCCC2,CHEMBL2177610,2.99
+CC1=CC(=O)Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,CHEMBL570135,2.57
+COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5,CHEMBL124660,2.6
+COc1cc(ccc1Cn2ncc3ccc(NC(=O)CC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5,CHEMBL81624,1.6
+COc1cc(O)ccc1\C=C\2/CCCN=C2c3cccnc3,CHEMBL1162395,2.2
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(c3ccccc3)c4ccccc4)C(=O)OC,CHEMBL2048500,2.42
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(c4ccccc4)c5ccc(Cl)cc5,CHEMBL2325984,4.1
+CCC(N(CCCN)C(=O)c1ccc(C)nc1)C2=Nc3ccsc3C(=O)N2Cc4ccccc4,CHEMBL1829416,2.56
+CNC1=Nc2ncccc2C(=NC1c3cccs3)c4ccns4,CHEMBL475387,2.15
+Cc1cccc(NC(=O)NCC(N2CCOCC2)c3cccnc3)c1,CHEMBL1718354,2.0
+CS(=O)(=O)c1ccc(cc1Cl)[C@@H](CC2CCCC2)C(=O)Nc3cnc(cn3)[C@H](O)CO,CHEMBL2338347,2.58
+NC1(CCC1)c2ccc(cc2)c3ncc4ccccc4c3c5ccccc5,CHEMBL2035027,3.6
+COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2n1,CHEMBL1916533,1.78
+Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4,CHEMBL16687,3.98
+Nc1c(c(CN2CCOCC2)nn1c3ccc(F)cc3)c4ccccc4,CHEMBL1721725,2.33
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,CHEMBL817,0.01
+Cn1cnc2cc(OC(=O)c3ccccc3)cnc12,CHEMBL1682808,2.4
+Cc1ccc(Oc2ccc(OCC(=O)Nc3ccncc3)cc2)cc1,CHEMBL1705098,4.3
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CC=CC4,CHEMBL1221551,3.53
+CN1CCC(COc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1,CHEMBL216105,2.59
+COc1ccc(cc1)c2nc(nc(O)c2C#N)N3CCOCC3,CHEMBL347164,0.2
+CC(=O)Nc1cccc(OCc2cnc(Cl)s2)c1,CHEMBL1735467,2.38
+Cc1ccc(NC(=O)c2cccc(c2)N3CCOCC3)cc1NC(=O)c4ccc(OCc5ccncc5)cc4,CHEMBL186791,3.2
+O=C(Nc1ccccc1)N2CCOCC2,CHEMBL1170522,1.0
+CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O,CHEMBL639,2.46
+CNCCC=C1c2ccccc2CCc3ccccc13,CHEMBL445,1.58
+CC(C)(C)c1ccc(cc1)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br,CHEMBL244522,4.3
+NC(=O)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1,CHEMBL1257457,1.92
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2,CHEMBL1423809,2.8
+COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O,CHEMBL32,-0.18
+COc1cc(F)ccc1c2cncc(CNC(=O)C3CCC3)c2,CHEMBL1779016,3.2
+COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc3nonc23)C(=O)OC(C)C)C,CHEMBL399539,3.77
+CN1CCCC1CCNC(=O)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335879,2.01
+O=C1C=C(Oc2c1cccc2c3cccc4c5CCCCc5sc34)N6CCOCC6,CHEMBL198750,4.1
+Cc1nccn1CCC(C(=O)N)(c2ccccc2)c3ccccc3,CHEMBL53366,1.79
+NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O,CHEMBL349803,-0.94
+COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,CHEMBL261849,2.27
+OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c4c(Cl)cccc4Cl,CHEMBL2031160,0.33
+Cc1cc(C)cc(c1)c2oc(SCC(=O)N3CCN(CC3)C(=O)c4occc4)nn2,CHEMBL1489611,3.0
+COc1ccc(\C=C\2/SC(=S)NC2=O)cc1OC,CHEMBL255130,1.42
+CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O,CHEMBL1289110,1.33
+COc1ccccc1CNCc2ccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)cc2,CHEMBL1945040,0.15
+CC(C)(C)NC(=O)C(N(Cc1occc1)C(=O)c2ccc([nH]2)c3ccccc3)c4ccncc4,CHEMBL1302851,4.13
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)NC5CCC5,CHEMBL2031464,2.25
+CC(=O)N1CCOc2nc(OCc3ccccc3)ccc12,CHEMBL1682814,2.4
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCCN(Cc3ccccc3)C2,CHEMBL1950732,2.12
+O=S(=O)(N1CCOCC1)c2cccc(c2)c3cn4cccnc4n3,CHEMBL1439795,1.3
+O=C1C=C(N=C2N1C=Cc3ccccc23)N4CCOCC4,CHEMBL179242,2.78
+COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c4cccc(c4)C(=O)N(C)C)C(=O)N)c1,CHEMBL570015,2.69
+Cc1nc(C)c(nc1C(=O)N)c2ccc(cc2)[C@@H]3CC[C@@H](Cc4nnn[nH]4)CC3,CHEMBL2178940,1.4
+Oc1ncnc2onc(c3ccc(F)cc3)c12,CHEMBL1721722,1.97
+CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(CC(C4)C2)C3,CHEMBL1668935,2.7
+CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O,CHEMBL1272,2.31
+CCOC(=O)c1ccc(COC2CN(C2)c3ccc(C)nn3)cc1,CHEMBL1835911,2.5
+COc1ccc(CN2C(=O)NC3=C(C=C(N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C3=O)c4ccccc4)C2=O)cc1,CHEMBL14121,2.93
+CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O,CHEMBL267144,2.03
+O=C1OC(=Cc2ccccc12)c3ccccc3,CHEMBL2140153,3.84
+Oc1c2C(=O)NNC(=O)c2nc3cc(Cl)cc(Cl)c13,CHEMBL131842,0.89
+C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@H](C)N,CHEMBL270995,3.19
+c1ccc(nc1)c2n[nH]c(n2)c3ccncc3,CHEMBL1078979,1.48
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c2cccnc2)c3ccc(F)cc3)C(C)(C)C,CHEMBL1916287,0.4
+CC(Oc1c(Cl)cccc1Cl)C2=NCCN2,CHEMBL17860,0.48
+COc1cc2CC[C@H](NC(=O)C)c3cc(O)ccc3c2c(OC)c1OC,CHEMBL486504,1.81
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4ccncc4,CHEMBL1223458,2.29
+CC(C)(C(=O)N)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br,CHEMBL573108,2.32
+COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C,CHEMBL467399,1.67
+Clc1ccc2OCOc2c1Nc3ccnc(Nc4cc(cc(c4)N5CCOCC5)N6CCOCC6)n3,CHEMBL468970,3.25
+C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,CHEMBL1200374,2.98
+CC1(C)CNC(=O)c2sc(nc2C1)N3CCOCC3,CHEMBL1381989,1.29
+O=C1N=C2C(=C1C#N)c3ccc(N4CCSCC4)c5cccc2c35,CHEMBL595134,3.22
+Nc1c(nc(nc1N2CCOCC2)C#N)N3CCCC3,CHEMBL470916,2.25
+Cc1cnc([nH]1)c2cc(NC(=O)c3ccc(nc3C)C(F)(F)F)ccc2Cl,CHEMBL572016,3.3
+COc1cccc(c1OC)c2ccc(\C=C\3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)cn2,CHEMBL605114,1.5
+Cn1c(CN2CCC(CC2)c3ccccc3)nc4ccccc14,CHEMBL593196,3.6
+CCN(CC)CCn1c2ccccc2c3cnc(N)c(C#N)c13,CHEMBL1573309,2.7
+C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc3[nH]c(N)nc13,CHEMBL257006,3.22
+COc1ccc2COC(=O)N(CCN3CCC(CC3)NCc4ccc5OCC(=O)Nc5n4)c2c1,CHEMBL1916538,0.5
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)S(=O)(=O)NC(=O)c4ccccc4)cc1Cl,CHEMBL2171015,2.14
+ONC(=O)[C@@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c3ccc4ccccc4c3,CHEMBL261713,3.23
+Cc1c[nH]c(n1)c2cnc(NCCNc3ccc(cn3)C#N)nc2c4ccc(Cl)cc4Cl,CHEMBL412142,3.86
+Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,CHEMBL1191,-1.33
+O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c3ccc(O)c4NC(=O)Sc34,CHEMBL1945037,1.11
+CSc1ncccc1C(=O)NCCc2ccc(Cl)cc2,CHEMBL1388277,3.31
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1c2cccnc2)NC(=O)OCc3ccccc3)C(=O)C(F)(F)F,CHEMBL11032,2.15
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3nccnc3C(=O)N2Cc4ccccc4,CHEMBL1829429,-0.14
+CC1=CC2=NNC(=O)N2c3cc(ccc13)c4cn[nH]c4,CHEMBL1223528,2.13
+CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3)C1,CHEMBL2036777,1.92
+COc1ccc(cc1OC)c2csc(NC(=O)c3c(C)onc3C)n2,CHEMBL2144380,3.16
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)N4CC[C@H](C4)NC(=O)C)ncc2F,CHEMBL476578,3.3
+COc1cc(Nc2cc(Nc3c(Cl)ccc4OCOc34)ncn2)cc(OC)c1OC,CHEMBL253741,3.07
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OC4CCOC4)nc23,CHEMBL1933588,-0.06
+Oc1c2C(=O)N(NC(=O)c2nc3cc(Cl)ccc13)C(c4ccccc4)c5ccncc5,CHEMBL1180254,1.1
+CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)C2CCCC2)c3ccccc3,CHEMBL1916260,0.69
+CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,CHEMBL1493,3.42
+Cc1cccc(n1)c2nn3CCCc3c2c4ccnc5ccc(cc45)C(=O)N,CHEMBL2364611,1.71
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OC4CC5CC5C4)nc23,CHEMBL1807852,1.66
+CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,CHEMBL9967,-0.49
+Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,CHEMBL489514,2.3
+Nc1ncnc2OCCN(C(=O)c12)c3ccc(cc3)[C@@H]4CC[C@@H](CC(=O)O)CC4,CHEMBL1835919,-0.5
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ncccc3C(=O)N2Cc4ccccc4,CHEMBL1829428,-0.04
+CCN(c1ccccc1)c2cc(NC)[n+](C)c(C)n2,CHEMBL1314022,-0.91
+O=C(NCc1occc1)c2ccc3[nH]c(COc4ccc(cc4)C56CC7CC(CC(C7)C5)C6)nc3c2,CHEMBL2207805,4.0
+Nc1c(Nc2ccccc2)nc(nc1N3CCOCC3)C#N,CHEMBL471578,2.72
+O=C(NCCCN1CCCCC1)C(c2ccccc2)c3ccccc3,CHEMBL290663,1.33
+NC(=O)Nc1sc(cc1C(=O)N2CCOCC2)c3ccccc3,CHEMBL507177,2.24
+C[C@@H]1CN(Cc2oc(nn2)c3cc(cc4[nH]ncc34)c5cccc6[nH]ccc56)C[C@H](C)O1,CHEMBL2216839,4.01
+CCc1cc(OCc2ccc(cc2)c3ccccc3c4nn[nH]n4)c5CCCCc5n1,CHEMBL418226,1.7
+CN1CCN(CC1)[C@@H]2C[C@@H](C2)c3nc(c4ccc5ccc(nc5c4)c6ccccc6)c7c(N)nccn37,CHEMBL249295,3.2
+CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc3cncn3C)c4ccccc4,CHEMBL14642,2.51
+Cc1c(sc2ncnc(O)c12)C(=O)Nc3ccccc3,CHEMBL1478592,2.13
+COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,CHEMBL2,1.9
+CNc1c(Br)cnc2[nH]c(nc12)c3ccc(OCCN4CCN(C)CC4)cc3,CHEMBL2011918,2.91
+C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO,CHEMBL257478,3.85
+COc1cc(F)ccc1c2cncc(CNC3CCCC3)c2,CHEMBL1779003,2.29
+O=S(=O)(N1CCCC1)c2ccccc2c3ccc(CNC4CCOCC4)cc3,CHEMBL1818328,1.4
+OC(=O)Cc1ccc(cc1)c2ccc(NC(=O)c3oc(Nc4ccccc4F)nn3)cc2,CHEMBL2036743,1.5
+COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN4CCOCC4,CHEMBL24137,3.4
+O=C(CCc1ccncc1)Nc2ccc(cc2)C(=O)c3ccccc3,CHEMBL327151,3.4
+CC(C)n1c(C)ncc1c2nc(Nc3ccc(cc3)C(=O)N4CCCN(C)CC4)ncc2F,CHEMBL462192,2.02
+O=C(NCCN1CCCC1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335880,2.39
+COc1cc(ccc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C(=O)N5CCOCC5,CHEMBL1809055,3.4
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(C1)S(=O)(=O)Cc2ccccc2)C(C)(C)C,CHEMBL1950847,0.78
+O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,CHEMBL49,2.19
+OC1(CCc2ccc(Oc3ccc(cc3)C(=O)NCc4ccncn4)cc2)CN5CCC1CC5,CHEMBL1796300,0.76
+Cc1ccc(cc1S(=O)(=O)n2ccc(n2)c3c(C)nc4ccc(Br)cn34)[N+](=O)[O-],CHEMBL224769,3.52
+[O-][N+](=O)c1oc(C=NN2CCOC2=O)cc1,CHEMBL1374738,-0.12
+CNc1c(Br)cnc2[nH]c(nc12)c3ccc(OCCN4CCCCC4)cc3,CHEMBL2011895,2.56
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4[nH]cnc4C,CHEMBL2059868,2.87
+C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc5ccccn5)c3)c12)C(=O)N(C)C,CHEMBL402011,2.89
+COc1ccccc1CN2C(C(=O)NC3CCC(C)CC3)c4ccccc4C2=O,CHEMBL1429296,3.74
+Clc1ccc(OC2CCNCC2)cc1C(=O)NCC34CC5CC(CC(C5)C3)C4,CHEMBL393384,1.83
+NC(=O)c1cccnc1Oc2ccccc2,CHEMBL1431859,1.13
+CN(C)CCCn1c2CCCCCCc2c3ccccc13,CHEMBL126224,2.96
+Cn1ncc2C(=O)NC(=Nc12)c3ccccc3,CHEMBL1994944,1.61
+C1CC2(CCN1)OC(c3ccccc3)c4ccccc24,CHEMBL436281,0.75
+CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,CHEMBL1255834,0.48
+CCCNC(=O)c1nnc2c(cccc2c1N)c3cnccc3OC,CHEMBL1783280,2.83
+CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N,CHEMBL218490,0.27
+C(CN1CCCC1)Oc2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2,CHEMBL2335884,2.66
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c3ccccc3)C(=O)O)cc1)c4ccccn4,CHEMBL434063,2.15
+CC(C(=O)Nc1ccc(Cl)cc1)c2ncc(cc2Cl)C(F)(F)F,CHEMBL1343875,4.19
+CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc3ccccc3)C(=O)O,CHEMBL403296,2.59
+Oc1ccc(Br)cc1C(=O)C(=O)c2cc(Br)ccc2O,CHEMBL366205,3.85
+C1CCC(CC1)NC2CCCCC2,CHEMBL1451838,-0.38
+CCNc1nc(N)c(s1)C(=O)c2ccc(Cl)s2,CHEMBL1448605,3.63
+COc1cc(O)c(C(CC(=O)N2CC(C)CC(C)C2)c3ccc4OCOc4c3)c(OC)c1,CHEMBL2312113,4.3
+CCOC(=O)c1ccc(OCCC2CN(CCO2)c3ccc(C)nn3)cc1,CHEMBL1835906,2.7
+O=C(Nc1ccc(nc1)N2CCOCC2)c3oc(Nc4cccc(OCc5cccnc5)c4)nn3,CHEMBL2036732,3.3
+O=C(NC1CCCCC1)C2CCCN(C2)S(=O)(=O)c3cccs3,CHEMBL1736016,2.93
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cncs5)ccc4C,CHEMBL2031237,2.11
+COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)n4ccnc4)N5CCOC[C@@H]5C,CHEMBL2336318,2.6
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5cccnc5)ccc4C,CHEMBL2031234,1.5
+OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24,CHEMBL177756,0.0
+CCCSc1ncccc1C(=O)N(C)C2CCOCC2,CHEMBL2153177,1.63
+FC(F)(F)c1nnc2ccc(NCn3nnc4ccccc34)nn12,CHEMBL1573297,2.34
+Cc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)c(C)nn2c4ccccc4,CHEMBL1916278,0.16
+OC(=O)[C@H](Cc1cccc(OCCCNc2ccccn2)c1)NC(=O)c3c(Cl)cccc3Cl,CHEMBL2030957,0.16
+Cc1sc2ncnc(SCC(=O)N3CCCC3)c2c1C,CHEMBL1461445,2.89
+Nc1nc(Nc2ccc(cc2)S(=O)(=O)N)nn1C(=O)c3c(F)cccc3F,CHEMBL191003,1.87
+CC(C)C1NCCc2c1sc3ccccc23,CHEMBL1893999,2.8
+OC1CS(=O)(=O)CC1N2CCC(CC2)c3ccccc3,CHEMBL1460615,1.4
+COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)OCCN3CCOCC3,CHEMBL1456,2.26
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)NCc3cc[n+]([O-])cc3)C(=O)C(F)(F)F,CHEMBL112924,1.13
+O[C@H](CNC(=O)C1=NNC(=O)c2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2208431,3.69
+OC(=O)COc1ccc(cc1c2ccccc2)c3nccs3,CHEMBL1778617,-0.16
+FC1(F)Oc2ccc(\C=C\3/SC(=O)NC3=O)cc2O1,CHEMBL1231533,2.8
+CNC1CCN(C1)c2ccc(NC(=O)c3ccc(cc3)c4ccccc4)cn2,CHEMBL425518,2.35
+OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\3/CCN(C3=O)c4ccccc4,CHEMBL295135,1.85
+COCCN1CCC(Cc2ccc(cc2)C(=O)NCc3cnc(nc3NCC(C)(C)C)C#N)CC1,CHEMBL228739,3.5
+O=C(Nc1cccnc1C(=O)NCC2CCOCC2)c3cccc4ccccc34,CHEMBL2316396,4.4
+COc1ncc(cn1)c2cccc3OC[C@H](Cc23)NC(=O)c4ccc(OCC(F)(F)F)nc4,CHEMBL2069421,4.3
+Nc1nc2OC(COc3ccccc3)Cc2c(N)c1C#N,CHEMBL1352372,2.08
+CCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc3C(=O)C=C(C)Oc23)C(=O)C)C,CHEMBL2181926,2.63
+CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4NC(=O)CCc4c3,CHEMBL1652621,2.36
+CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,CHEMBL181,1.05
+CN(C)CCOc1ccc(cc1)c2oc3ncnc(NC[C@@H]4CCCO4)c3c2c5ccccc5,CHEMBL247479,3.6
+CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4,CHEMBL192,2.8
+CN1CCN(CC(=O)Nc2c(cnn2c3ccccc3)C#N)CC1,CHEMBL1471720,0.0
+CNc1nc2ccccc2n1Cc3sc4N(CC(C)C)C(=O)N(C)C(=O)c4c3C(=O)N5C[C@H](O)CO5,CHEMBL218628,1.77
+Nc1cccc(CCc2ccc3cc[nH]c3c2)n1,CHEMBL221118,2.8
+Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1NC(=O)c4ccc(OCc5ccccn5)cc4,CHEMBL184012,3.47
+OCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)c3ccccc3,CHEMBL181326,3.37
+FC(F)(F)c1nnc2ccc(nn12)N3CCCCCC3,CHEMBL1426965,3.29
+NC(=O)c1c(N)sc2CCCCc12,CHEMBL567508,1.84
+Cc1cc(O)nc(n1)n2nc(C)c(Oc3ccccc3O)c2C,CHEMBL1412475,1.4
+COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)c2cc1OCCN(C(C)C)C(C)C,CHEMBL363462,3.5
+CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O,CHEMBL522892,3.45
+COc1cnc(nc1Oc2ccc(F)cc2F)c3ccccn3,CHEMBL1418939,3.1
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(OCc3ccc(cc3)S(=O)(=O)C)nc2,CHEMBL2086655,3.1
+COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN5CCOCC5,CHEMBL206266,2.32
+CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2C(=O)N4CCS(=O)(=O)C4,CHEMBL441550,2.55
+CCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nnn[nH]5,CHEMBL1016,0.3
+CCN1C(=O)C=Cc2cnc(Nc3ccc(OC)c(OC)c3)nc12,CHEMBL140689,2.7
+CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2,CHEMBL1411716,3.49
+c1ccc(cc1)C#Cc2n[nH]c3ccccc23,CHEMBL1631889,4.31
+CN1C(=O)CC(C1=O)c2ccccc2,CHEMBL797,0.68
+COc1ccc(cc1)c2nc3c(NCCCNC(=O)C4CCCC4)c(cnc3[nH]2)C(=O)N,CHEMBL2011943,3.13
+CCOc1ccc(cc1)N2C(=O)c3ccccc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)C(F)(F)F,CHEMBL436826,4.25
+COc1ccc2SCC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1,CHEMBL1916536,1.78
+CC(=O)Nc1cc(CN2C(=O)N(C(=O)C2(C)C)c3ccc(SC(F)(F)F)cc3)ccn1,CHEMBL1762178,2.93
+COc1cccc2c1c(NS(=O)(=O)c3ccc(Cl)s3)nn2Cc4cccc(CNC(=O)C(C)(C)O)c4,CHEMBL2018969,2.09
+CC(C)C(=O)Nc1ccc2C(=O)NC(=O)c2c1,CHEMBL1351138,1.55
+NC1CCc2cc(OC(=O)c3ccccc3)c(OC(=O)c4ccccc4)cc2C1,CHEMBL1197102,2.6
+CCC(CC)NC(=O)c1cnn(c1NS(=O)(=O)c2ccc(cc2)c3ocnc3)c4ccccc4,CHEMBL1916270,0.8
+COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N2CCC(CC2)C3CCN(C)CC3,CHEMBL2087433,0.3
+Clc1ccc(cc1)C(=O)CN2C3=NCCN3c4ccccc24,CHEMBL2094588,2.62
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cscn4)c1,CHEMBL1824377,1.56
+COc1ccccc1CNC(=O)NS(=O)(=O)c2ccc(Cl)cc2,CHEMBL484304,0.87
+O[C@H](CNC(=O)c1cnnc2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2208435,3.28
+C=CCCCCCCCCC(=O)N[C@H]1CCC(=O)NC1=O,CHEMBL179701,2.64
+CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)C(=O)NC4CC4)n2,CHEMBL487066,3.06
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3cncc4ccccc34)c2C(=O)N5CC[C@@H](O)C5,CHEMBL207100,1.74
+CCn1cnc2cnc(c3ccc(cc3)C4(N)CCC4)c(c5ccccc5)c12,CHEMBL2035026,2.0
+Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5OCOc5c4,CHEMBL376632,2.5
+Fc1ccc(cc1)c2ncn(C3CCNCC3)c2c4ccncc4,CHEMBL279416,0.3
+Nc1nccc(n1)c2c[nH]c3ccccc23,CHEMBL48082,1.68
+COC(=O)c1c(O)cccc1OC\C=C\c2ccc(F)c(c2)c3onc(c3)C(=O)O,CHEMBL117869,0.66
+COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26,CHEMBL320876,0.91
+Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1,CHEMBL219916,3.45
+COc1cc(Nc2nccc(Oc3cnc4ccccc4c3)n2)cc(OC)c1OC,CHEMBL1760039,3.41
+CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O,CHEMBL7728,1.5
+CCN1C(=O)N(CC)c2[nH]c(nc2C1=O)c3ccccc3,CHEMBL11348,3.3
+COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1c4ocnc4,CHEMBL304087,3.6
+OS(=N)(=O)Cc1noc2ccccc12,CHEMBL750,0.55
+CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4ccccc4F,CHEMBL359810,2.76
+CC(=O)N1CCN(CC1)c2ccc(NC(=O)c3oc(Nc4ccccc4F)nn3)cc2,CHEMBL2036577,2.51
+CC(=O)C1=C(C)c2cnc(Nc3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O,CHEMBL189963,0.8
+C(Cc1nc2ccccc2[nH]1)Cc3nc4ccccc4[nH]3,CHEMBL1718800,3.5
+OC1CCN(CC1)C(=O)CN2C(=O)C(Cc3ccccc23)NC(=O)c4cc5cc(Cl)sc5[nH]4,CHEMBL397192,2.86
+Cc1ncsc1CCOCCCS(=O)(=O)CCNCCc2ccc(O)c3nc(O)sc23,CHEMBL320971,1.44
+CN1SC(=O)c2cc(ccc12)S(=O)(=O)N,CHEMBL334167,0.3
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN4CCCC4,CHEMBL57758,3.28
+CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2,CHEMBL109205,2.87
+Cn1cc(cc1C=O)C(=O)CCCCOc2ccc(cc2)C(=O)O,CHEMBL152676,0.14
+CN1CCN(CC1)C(=O)c2cc(sc2NC(=O)N)c3ccccc3,CHEMBL517859,2.17
+CCOC(=O)c1ccccc1c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2,CHEMBL1448393,2.43
+Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2nccc3ccccc23)c4sc(O)nc14,CHEMBL322318,2.35
+NC1(CCC1)c2ccc(cc2)c3c(ccn4ccnc34)c5ccccc5,CHEMBL2035033,2.0
+Nc1cc(nc(N)[n+]1[O-])N2CCCCC2,CHEMBL802,0.77
+Cc1cc(Nc2ccc(F)cc2)nc(N)n1,CHEMBL1586302,2.08
+Brc1ccc(s1)S(=O)(=O)NCC(N2CCCCCC2)c3ccccc3,CHEMBL1209511,3.52
+Oc1cccc(NC(=O)c2ccc(OCCCN3CCCC3)cc2OCc4cccnc4)c1,CHEMBL1824375,1.59
+COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c1c2ccc(F)cc2)C(C)C,CHEMBL1477,1.72
+Cc1cccc(NC(=O)c2ccc(c3ccccc3)c(c2)C#N)n1,CHEMBL466006,3.71
+CCOC(=O)c1c(C)n(Cc2occc2)c3ccc(O)cc13,CHEMBL1486510,3.5
+O=C1N2CCS(=O)(=O)C2=Nc3ccccc13,CHEMBL1359240,0.8
+Cc1nc2c(cnn2c(O)c1Cc3ccccc3)C#N,CHEMBL1519083,0.68
+Clc1ccc2nc(ccc2c1C(=O)NCC34CC5CC(CC(C5)C3)C4)N6CCC[C@@H](C6)NCCc7nnn[nH]7,CHEMBL551707,3.08
+COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1,CHEMBL1472189,2.9
+COc1cccc(NC(=O)c2cccc(Cc3c(C)nn(CCO)c3c4ccccc4)c2)c1,CHEMBL561771,4.29
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)NCc3ccccn3)C(=O)C(F)(F)F,CHEMBL113014,2.15
+CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,CHEMBL429,1.06
+COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3,CHEMBL1236962,2.5
+NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c2oncc2,CHEMBL1789187,-0.49
+NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5,CHEMBL1346,2.79
+Oc1ccc(CCNCCNS(=O)(=O)CCOCCCc2ccccc2)c3sc(O)nc13,CHEMBL112994,2.22
+Cc1oc2C=NN(B(O)c2c1)S(=O)(=O)c3ccc(C)cc3,CHEMBL172714,-0.28
+CC1=C(C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O)C4=C(C)C(=O)c5c(Cc6ccccc6)c(O)c(O)cc5C4=O,CHEMBL1269107,2.73
+Cc1oc(nc1CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c4ccccc4)C(=O)O)cc2)c5ccccc5,CHEMBL107367,3.5
+CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,CHEMBL13030,0.17
+C[S+]([O-])c1ccc(\C=C/2\C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1,CHEMBL15770,-0.01
+O=C(CSC1=NC2=C(SCC2)C(=O)N1c3ccccc3)Nc4ncc(s4)c5ccccc5,CHEMBL2323239,3.95
+CCOc1ccc2oc(C(=O)NC(CCSC)c3nc4cnccc4[nH]3)c(C)c2c1,CHEMBL1770476,4.31
+N(c1cccnc1)c2ncnc3ccccc23,CHEMBL117711,1.57
+CC(C)OC(=O)N1CCC(CC1)Oc2ncnc3c2cnn3c4ccc(cc4F)S(=O)(=O)C,CHEMBL1775179,3.0
+COc1ccc(nc1OC)N2CCN([C@H](C)C2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N,CHEMBL2172002,2.3
+Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4cccs4,CHEMBL2207217,4.13
+COc1cc(ccc1Cn2ccc3ccc(NC(=O)OC4CCCC4)cc23)C(=O)O,CHEMBL300940,2.1
+COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN5CCOCC5,CHEMBL381724,2.7
+Fc1cc2N=CNC(=O)c2cc1F,CHEMBL1949859,1.5
+C[C@@H]1C2CCCC1(CCN2C)c3cccc(O)c3,CHEMBL287726,0.52
+CC(C)(C)C(O)\C(=C/c1ccc(Cl)cc1Cl)\n2cncn2,CHEMBL135386,3.8
+Cc1ccc(cc1)c2cc(C(=O)N3CCOCC3)c4cc(C)ccc4n2,CHEMBL1891277,3.6
+Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)c5cccc(c5)N6CCOCC6)cc2Cl)c1,CHEMBL2347404,3.2
+COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3,CHEMBL1257015,1.23
+Cc1nc(C)c(nc1C(=O)N)c2ccc3c(CC[C@@]34CC[C@H](Cc5nnn[nH]5)CC4)c2,CHEMBL2178369,2.0
+Cc1[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN4CCOCC4,CHEMBL1721885,2.22
+O=C1NN=C(Cc2ccccc2)c3ccccc13,CHEMBL66761,2.8
+C1Oc2ccc(Oc3cc(Oc4ccc(cc4)n5ccnc5)ncn3)cc2O1,CHEMBL244183,3.17
+CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,CHEMBL1513,1.29
+CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23,CHEMBL407,1.1
+C(Oc1cccc2ccccc12)C3=NCCN3,CHEMBL279200,0.68
+CCN1CCC[C@H](C1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3,CHEMBL2036778,1.6
+C[C@H](CNCCc1ccncc1)c2c([nH]c3ccc(cc23)C(C)(C)C(=O)N4C5CCC4CC5)c6cc(C)cc(C)c6,CHEMBL87785,4.35
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1,CHEMBL1270874,2.9
+Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C,CHEMBL46,1.67
+CS(=O)(=O)N1CC[C@@H](C1)N(Cc2ccccc2Cl)c3ccc(C#N)c(Cl)c3,CHEMBL602745,4.0
+CN(C1CCN(Cc2nc3cc(F)ccc3s2)CC1)C(=O)Cc4ccc(cc4)n5cnnn5,CHEMBL2010842,2.85
+CC1=C(C(=O)N(C[C@H](N)c2ccccc2)C(=O)N1Cc3c(F)cccc3F)c4ccc5OCOc5c4,CHEMBL178457,2.67
+CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(NC(=O)c3cc(C)on3)C2=O,CHEMBL141157,1.75
+COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2,CHEMBL25236,3.53
+CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(OCc3ccc(cc3)S(=O)(=O)C)nn2,CHEMBL2086652,2.8
+Clc1cccc(c1)c2cnc3ccc(NC4CCOCC4)nn23,CHEMBL426658,4.3
+O=C1NC(=O)c2cc(OCc3ccccc3)ccc12,CHEMBL342357,3.1
+CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N5C[C@@H]6[C@@H](N)[C@@H]6C5)c2c1Cl,CHEMBL2338020,2.3
+Clc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1,CHEMBL93354,0.99
+OC1=CC(=O)C2=C(O1)c3ccccc3N(C2=O)c4ccccc4,CHEMBL1503415,0.96
+OC(=O)C(N1CCO[C@@H](CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3)C1)c4ccccc4,CHEMBL2158817,1.71
+OC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3CCCNc3n2)cc1)NC(=O)c4c(Cl)cccc4Cl,CHEMBL2031162,-0.63
+CCCNC(=O)c1nnc2c(cccc2c1N)c3cnc(OC)nc3OC,CHEMBL1783279,3.26
+COc1cc(Nc2ncnc(Nc3c(Cl)ccc4OCOc34)n2)cc(OC)c1OC,CHEMBL403672,3.01
+COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c3ccccc3)c(OC)c1,CHEMBL511782,2.55
+CN(CCCc1ccccc1)S(=O)(=O)c2cc(C(=O)N3CCc4ccc(cc4C3)S(=O)(=O)NCCc5ccccc5)c(O)c(O)c2O,CHEMBL376055,0.75
+CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN3N2C(=O)[C@H](CCC3=O)NC(=O)c4nccc5ccccc45,CHEMBL437526,1.16
+Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC3CC3)CC2)c4ccc(cc4)c5cccc(c5)C#N)c1,CHEMBL176219,3.37
+O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4ccccc4,CHEMBL62993,2.7
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)c4ccc(cn4)C#N)c(F)c2,CHEMBL121889,1.98
+COc1cc(OC)c(cc1NC(=O)C)S(=O)(=O)N2C(C)Cc3ccccc23,CHEMBL1951072,1.95
+Clc1ccccc1N2CCN(CC2)C(=O)NC3CCCCC3,CHEMBL1464754,3.78
+OC(=O)\C=C\c1cccc(c1)c2cnc3[nH]ccc3c2,CHEMBL2059195,0.58
+OC1(CCN(CC1)c2ccc3nnc(n3n2)C(F)(F)F)c4ccc(F)cc4,CHEMBL2346970,3.5
+CCCSc1nc(ccc1C(=O)N[C@@H]2C3CC4CC2C[C@@](O)(C4)C3)N5CCOCC5,CHEMBL2158470,3.2
+O\N=C\1/C(=O)N(Cc2ccccc2[N+](=O)[O-])c3ccccc13,CHEMBL563545,2.07
+Fc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)NCc3ccccc3,CHEMBL1461377,3.15
+O=C1C=C(OCc2ccccc2)C=CN1c3ccc4c(cnn4CCN5CCCC5)c3,CHEMBL1289283,2.0
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)C5CC5)ccc4C,CHEMBL2031233,2.17
+Clc1ccc(cc1Cl)[C@]23CNC[C@H]2C3,CHEMBL592374,1.96
+Cc1nc(CSc2ccc(Cl)cc2)cc(n1)N3CCOCC3,CHEMBL1313164,3.38
+CCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc3ccc(O)cc23,CHEMBL114123,2.5
+Oc1nc2ccccc2nc1NCc3ccccc3,CHEMBL1599839,3.3
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCCCC4,CHEMBL291514,3.3
+CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5ccncc5,CHEMBL401874,4.3
+Cc1ccnc(NCc2c(O)ccc3ccccc23)c1,CHEMBL1539253,4.24
+O=C(CN1CCOCC1)Nc2ccc(cc2c3ccccc3)c4cccc5C(=O)C=C(Oc45)N6CCOCC6,CHEMBL1669170,3.4
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3sccc3C(=O)N2Cc4ccccc4,CHEMBL1829424,2.06
+O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)c6occc6)CC3)nc2N1,CHEMBL1824045,2.19
+FC(F)(F)c1nnc2ccc(nn12)N3CCCC3,CHEMBL1888044,2.41
+CCC(CC)NC(=O)c1cn(nc1NS(=O)(=O)c2ccc(C)cc2)c3ccccc3,CHEMBL1916263,2.51
+N#Cc1cnn2c(NC3CC3)cc(nc12)c4cccs4,CHEMBL2062559,2.88
+Nc1nc(nc(N)c1Cc2ccccc2F)c3ccccn3,CHEMBL1571801,2.12
+Cc1cc(NCc2ccccc2)nc3ccccc13,CHEMBL1386638,3.69
+CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45,CHEMBL115,2.9
+Fc1cc(ccc1C2=CCOCC2)N3C[C@H](COc4ccon4)OC3=O,CHEMBL341161,2.61
+Cc1ccn2c(NC(=O)c3ccccc3)c(nc2c1)c4cccs4,CHEMBL1741329,2.87
+COc1cc2N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)C(=O)C=Cc2cn1,CHEMBL1916546,0.68
+Cc1nsc(C)c1CCC2CCN(CC2)S(=O)(=O)CC3(CCOCC3)N(O)C=O,CHEMBL1784366,1.5
+CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,CHEMBL423,0.63
+CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1,CHEMBL191083,-0.88
+CN1CCC(CC1)(C#N)c2cccc3ccccc23,CHEMBL324465,2.73
+Nc1nccc(n1)c2cccs2,CHEMBL1458783,1.75
+CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3,CHEMBL187709,3.98
+COc1ccccc1CNC(=O)c2ccc3cnccc3n2,CHEMBL268362,1.8
+C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(n1)N3CCOCC3)c4ccc(F)cn4,CHEMBL1087398,3.45
+COc1cc(ccc1Cc2c[nH]c3ccc(NC(=O)CC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5C,CHEMBL300846,2.0
+Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C,CHEMBL1020,-1.02
+CC(C)OC(=O)N1CCC(CC1)Oc2ncnc(Oc3ccc(cc3F)S(=O)(=O)C)c2C,CHEMBL1951011,3.7
+CCn1c(SCC(=O)Nc2c(cnn2c3ccccc3)C#N)nnc1c4cccs4,CHEMBL1718768,2.1
+Cc1ccc2NC(=O)OC3(CCN(CCc4nc(oc4C)c5ccccc5)CC3)c2c1,CHEMBL134074,4.2
+Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4,CHEMBL1421,3.41
+CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C1)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N,CHEMBL2110579,2.1
+COc1cc(ccc1Cn2cnc3ccc(NC(=O)CC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5,CHEMBL420055,0.9
+OC(=O)[C@H](Cc1ccc(CCCCNc2ccccn2)cc1)NC(=O)c3c(Cl)cccc3Cl,CHEMBL2031158,0.51
+O[C@H](CNC(=O)c1cn2cc(F)ccc2n1)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2208425,3.33
+Cc1ccc(CCCOCCS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)s1,CHEMBL322722,2.41
+COc1ccc(NC(=O)c2oc(Nc3ccccc3F)nn2)cn1,CHEMBL2036581,3.2
+CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1,CHEMBL2326864,-0.82
+CCC(N(CC1CCNCC1)C(=O)c2ccc(C)cc2)C3=Nc4ccsc4C(=O)N3Cc5ccccc5,CHEMBL1829261,1.33
+COc1ccc(cc1)N2Sc3ccccc3C2=O,CHEMBL327502,3.02
+OC1CCN(CC1)C(=O)c2ccc(cc2)C(=C3CCN(Cc4cscn4)CC3)c5cccc6cccnc56,CHEMBL1946617,1.89
+C[C@H](c1c[nH]cn1)c2cccc(C)c2C,CHEMBL778,2.79
+Clc1ccc(N2CCN(CC2)C(=O)COCc3ccccn3)c(Cl)c1,CHEMBL1290108,3.47
+CC1=NC(=C(NC1=O)c2ccccc2)c3ccc(CN4CCC(CC4)N5C(=O)Nc6ccccc56)cc3,CHEMBL178397,3.8
+O=C1C=C(C=CN1c2ccc3c(cnn3CCN4CCCC4)c2)c5ccccc5,CHEMBL1289717,1.6
+COc1ccccc1Oc2ccc(cc2)N(Cc3cccnc3)S(=O)(=O)CC(F)(F)F,CHEMBL108939,1.5
+CCN1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O,CHEMBL1967560,2.75
+COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\c2c1,CHEMBL1077979,1.64
+NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccsc3,CHEMBL520734,1.06
+COc1ccc(NC(=O)c2ccc(c(C)c2)c3ccncc3)cc1N4CCN(C)CC4,CHEMBL1908856,2.56
+COc1ccc(cc1)C(CNC(=O)Nc2ccccc2)N3CCN(C)CC3,CHEMBL1709618,1.5
+O=S(=O)(Nc1ccc(cc1)S(=O)(=O)Nc2nccs2)c3ccc4OCCOc4c3,CHEMBL1340091,1.97
+Cc1cc(C)cc(CCOCCS(=O)(=O)NCCNCCc2ccc(O)c3nc(O)sc23)c1,CHEMBL110941,2.45
+OC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c3cc4sc(Cl)c(Cl)c4[nH]3,CHEMBL232627,0.67
+C[C@H](Nc1nc(Nc2cc(C)[nH]n2)c(F)cc1C#N)c3ccc(F)cn3,CHEMBL1774056,3.11
+COc1ccc(N(C(C)C(=O)NC2CCCC2)C(=O)c3ccccc3)c(OC)c1,CHEMBL472258,3.02
+CC(N1Cc2ccccc2C1=O)c3ccccc3,CHEMBL44245,3.0
+CNCC[C@H](Oc1cccc2ccccc12)c3cccs3,CHEMBL1175,2.09
+COc1ccc(cc1)c2c(C)[nH]nc2c3ccc(O)cc3O,CHEMBL192894,3.37
+Nc1c2C(=O)N(Cc2nc3c(cccc13)c4ncccn4)C5CCC5,CHEMBL1631466,1.85
+Brc1oc(cc1)c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3[nH]2,CHEMBL1312599,4.38
+Clc1cccc(Cl)c1\C(=C\n2cncn2)\OC3CCCCCC3,CHEMBL305406,4.1
+CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)NC=O,CHEMBL278623,1.0
+NC1=NC(Nc2cccc(F)c12)c3cccs3,CHEMBL1221607,0.91
+Clc1ccc(NC(=O)N2CCN(C[C@H]3CN(CCO3)C4CC4)CC2)cc1Cl,CHEMBL2036774,3.32
+CNc1nc(C)c(s1)c2nc(Nc3cccc(c3)N4CCNCC4)ncc2C#N,CHEMBL2348642,1.9
+CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc4cnc(nc14)C#N,CHEMBL249966,0.75
+CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2,CHEMBL366255,2.83
+CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O,CHEMBL1168,-0.41
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3ccccc3C(F)(F)F)c2S(=O)(=O)N4CC[C@@H](O)C4,CHEMBL378405,3.32
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccn2)C1)C(C)(C)C,CHEMBL1950861,-0.55
+CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O,CHEMBL401158,3.07
+CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1,CHEMBL941,2.5
+CN(C1CCN(Cc2ccc(cc2)c3noc(C)n3)CC1)C(=O)Cc4ccc(cc4)n5cnnn5,CHEMBL2010841,2.1
+OCCCN(Cc1ccc(F)cc1)C(=O)CC2CCN(Cc3ccn(c3)c4ccc(cc4)C(F)(F)F)CC2,CHEMBL549635,3.04
+Clc1ccc2nsnc2c1NC3=NCCN3,CHEMBL1079,0.71
+CC(C)(C)OC(=O)N1CCC(CC1)OCc2onc(n2)c3ccncc3,CHEMBL1081913,3.0
+Nc1ccc(cc1)C2(CCCCC2)c3ccc(N)cc3,CHEMBL1472545,3.2
+CC(N1C(=O)c2ccccc2C1=O)C(=O)N3CCc4ccccc4C3,CHEMBL1704514,2.47
+Oc1ccc(CCNCCS(=O)(=O)CCCOCCNc2ccccc2)c3sc(O)nc13,CHEMBL320777,1.98
+CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,CHEMBL1214827,2.5
+CC(C)(C)OC(=O)N1CCN(CC1)c2cnc(OCc3ccc(cc3)S(=O)(=O)C)cn2,CHEMBL2086653,3.4
+Clc1ccc2C(=O)C3=C(Nc2c1)C(=O)NN(Cc4cc5ccccc5s4)C3=O,CHEMBL388337,2.0
+Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,CHEMBL443,-0.56
+O=C(NC1CC1)Nc2c[nH]nc2c3nc4cc(CN5CCOCC5)ccc4[nH]3,CHEMBL495727,2.3
+C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(OCC4CC(F)(F)C4(F)F)nc23,CHEMBL1933594,1.42
+COc1ccc(cc1)c2nc3c(NCCCNC(=O)c4ccccc4)c(Br)cnc3[nH]2,CHEMBL2011937,0.25
+COc1ccc(cc1)c2nc3c(OCC4CCNCC4)c(Br)cnc3[nH]2,CHEMBL2011927,1.55
+OCC(=O)N1CCC(CC1)c2n[nH]c(c3ccc(Cl)cc3)c2c4ccncn4,CHEMBL1090173,1.85
+C[C@@H]1CN(C[C@H](C)O1)c2nc(N3CCOCC3)c4ccc(Nc5ccccc5)nc4n2,CHEMBL1079324,4.12
+Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F,CHEMBL960,3.9
+CC[C@H](NC(=O)c1c([S+](C)[O-])c(nc2ccccc12)c3ccsc3)c4ccccc4,CHEMBL1682950,2.66
+Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4cnc5c(N)ncnc45,CHEMBL1213082,2.6
+COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCCCN4CCOCC4,CHEMBL384699,3.4
+C[C@H](NC(=O)c1c(C)nn(C2CCOCC2)c1NS(=O)(=O)c3ccc(cc3)C4CC4)C(C)(C)C,CHEMBL1934426,1.23
+COc1ccccc1CN(C(=O)C)c2cnccc2Oc3ccccc3,CHEMBL2068817,3.0
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)NS(=O)(=O)Cc4ccccc4)cc1Cl,CHEMBL2171215,2.13
+O=C(N1CCOCC1)c2ccc(cc2)C(=C3CCN(Cc4cscn4)CC3)c5cccc6cccnc56,CHEMBL1946615,2.12
+Nc1nc(N)c(c(COCc2ccccc2)n1)c3ccc(NC(=O)C4CC4)cc3,CHEMBL211265,2.46
+COc1ccc(N(C(C(=O)NC2CCCC2)c3ccccc3F)C(=O)c4ccccc4)c(OC)c1,CHEMBL471412,3.86
+Fc1ncccc1OC[C@@H]2CCN2,CHEMBL308538,-1.2
+Oc1c2C(=O)N(NC(=O)c2nc3cc(Cl)ccc13)C(C4CC4)c5ccccn5,CHEMBL1180250,1.0
+COc1ccnc(CSc2nc3ccccc3[nH]2)c1,CHEMBL51478,2.89
+COc1ccc2NC(=O)C(NC(=O)c3ccccc3OC)N=C(c4ccccc4)c2c1,CHEMBL380130,3.8
+CCN(CC)C(=O)c1ccc(cc1)C(=C2CCN(Cc3ccc(F)cc3)CC2)c4cccc5cccnc45,CHEMBL1944652,3.86
+Cc1oc(cc1C(=O)Nc2cccc(c2)C(=O)O)c3ccccc3,CHEMBL1531981,1.63
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ncc(CN5CCOCC5)s4,CHEMBL2059872,3.1
+OC(=O)c1c(Sc2ccccc2)c3cc(Cl)ccc3n1Cc4ccc(Cl)cc4,CHEMBL370152,2.96
+OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,CHEMBL421,-0.58
+O=C(CC1CCCCCC1)Nc2cccc3C(=O)N(C=Cc23)[C@H]4CCNC4,CHEMBL552512,1.15
+CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(C)on3,CHEMBL1565348,3.7
+N[C@H](CNC(=O)c1cc2c(cccc2[nH]1)c3ccccc3Cc4ccccc4)C(=O)O,CHEMBL1910654,3.25
+CN1N=Nc2c(ncn2C1=O)C(=O)N,CHEMBL810,-1.08
+O=C1C2CCC(N2)C(=O)N1Cc3ccccc3,CHEMBL228761,2.21
+Clc1ccc(cc1)C(=O)\C=C\Sc2nc[nH]n2,CHEMBL1586531,3.1
+N#Cc1nc(nc(n1)N2CCOCC2)N3CCOCC3,CHEMBL1321641,1.51
+CN1CCN(CCCOc2ccc(cc2)c3onc(c3)c4ccc(F)cc4)CC1,CHEMBL183425,3.81
+O=C(N1CCOCC1)N2CCn3cc(C4=C(C(=O)NC4=O)c5cnc6ccccn56)c7cccc(C2)c37,CHEMBL178737,1.79
+Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3,CHEMBL490,1.78
+OC(=O)COc1ccc(Cl)cc1CN2CCCN(CC2)S(=O)(=O)c3ccccc3,CHEMBL1689114,1.01
+C(Oc1ccccc1)C2CNCCO2,CHEMBL502684,0.2
+Cc1c(Sc2ccc(Cl)cc2)c3c(cccc3n1CC(=O)O)c4cnccn4,CHEMBL1917440,0.03
+CCCCC(CC)CNC(=O)c1cc(ccc1Cl)N2N=CC(=O)NC2=O,CHEMBL559078,2.41
+Cc1ccc(cc1)\C(=C/CN2CCCC2)\c3ccccn3,CHEMBL855,1.88
+CN(C)CCCNC(=O)c1nc(Cl)c(N)nc1N,CHEMBL1944739,-1.0
+O=C1C(=O)c2cc(ccc2c3ccccc13)c4ccsc4,CHEMBL51583,3.1
+COc1ccc(CN2C(=O)CCC2(C)C(=O)NC3CCCCC3)c(OC)c1,CHEMBL1886566,2.38
+CCCC1=CC(=CC(=O)N1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)OCc5ccccc5,CHEMBL22442,2.4
+CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C23CCC3)c4ccc(C#N)c(c4)C(F)(F)F,CHEMBL1082410,3.3
+NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl,CHEMBL61593,2.12
+NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N,CHEMBL1364572,2.91
+Clc1ccc(cc1)C(=O)Cc2ccccn2,CHEMBL1414985,2.96
+Clc1ccc(cc1)C(=O)N[C@H]2CN3CCC2CC3,CHEMBL177611,0.6
+CN(c1ccnc(Nc2cc(nc(c2)N3CCOCC3)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762550,3.44
+CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccncc2)C(F)(F)F,CHEMBL92840,2.15
+COc1ccccc1O[C@H]([C@@H]2CNCCO2)c3ccccc3,CHEMBL223166,0.9
+Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1,CHEMBL376291,3.1
+NC(=N)c1cc2c(cccc2s1)c3ccccc3,CHEMBL591931,1.27
+C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4cccs4)c5cccs5,CHEMBL1900528,-0.25
+S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3,CHEMBL260374,2.3
+Cc1ccc(cc1)S(=O)(=O)N2N=Cc3ccccc3B2O,CHEMBL168634,0.05
+COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C,CHEMBL23,1.99
+C[C@@H](N(c1cc(F)ccc1F)S(=O)(=O)c2ccc(Cl)cc2)c3ccc(F)cc3CCCC(=O)O,CHEMBL247471,3.1
+Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)S(=O)(=O)NC(C)(C)C,CHEMBL1287853,2.11
+COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC,CHEMBL502,2.41
+COc1cc(F)ccc1c2cncc(CNC3CCC3)n2,CHEMBL1778866,2.23
+CCc1nc2ccc(cn2c1N(C)Cc3cccs3)C(=O)NCc4ccc5OCOc5c4,CHEMBL2139925,4.1
+Oc1ccc(CCNCCCS(=O)(=O)NCCOCCSc2ccccc2)c3sc(O)nc13,CHEMBL110147,1.84
+C[C@@H]1CN([C@@H](CO1)c2ccccc2)c3ccc4OCC(=O)Nc4n3,CHEMBL2181928,2.75
+CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,CHEMBL1123,3.72
+Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5NC(=O)Sc45)c3)c[nH]c12,CHEMBL1945031,1.13
+CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c2ccc(cc2)C#N)c3ccc(F)cc3,CHEMBL556716,2.9
+OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO,CHEMBL932,3.97
+COCC1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/OC)\c3csc(N)n3)C2=O)C(=O)OC(C)OC(=O)OC(C)C,CHEMBL1201016,1.7
+OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,CHEMBL267744,-0.84
+CN1CCC(=CC1)c2cccc(O)c2,CHEMBL1194608,0.53
+Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)N3CCNCC3,CHEMBL2178579,2.6
+CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H]2CCCN(C2)C(=O)c3ccccc3,CHEMBL1950729,0.87
+COc1ccc(cc1OC2CCCC2)[C@@]3(CC[C@H](CC3)C(=O)O)C#N,CHEMBL511115,0.76
+O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N2CCCCC2,CHEMBL2164672,0.9
+OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14,CHEMBL1466,1.22
+COc1ccc(CC(=O)NC(N\C(=N\C#N)\Nc2ccccc2C)C(C)(C)C)cc1OC,CHEMBL255536,2.48
+Nc1n[nH]c2nnc(c3ccccc3)c(c4ccccc4)c12,CHEMBL260135,2.6
+Cc1sc2ncnc(N3CCN(CC3)c4ncccn4)c2c1C,CHEMBL1313395,3.66
+COc1cc(OC)c(cc1NC(=O)Cc2ccnc(F)c2)S(=O)(=O)N3C(C)CCc4ccccc34,CHEMBL2207225,2.49
+CC1CC(NC(=O)C)c2ccccc2N1C(=O)c3ccccc3,CHEMBL1079486,2.0
+CCN(CC)CCNc1ncnc2c1sc3nc(N4CCOCC4)c5CCCCc5c23,CHEMBL1389370,3.3
+CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,CHEMBL1180725,0.2
+NS(=O)(=O)c1ccc(Nc2nccc(n2)c3ccccc3)cc1,CHEMBL1084863,2.86
+CCCc1c(O)c(ccc1OCCCOc2ccc3C(=O)C=C(Oc3c2CCC)C(=O)O)C(=O)C,CHEMBL123846,3.0
+Nc1ccc(OCCc2ccccc2)cc1,CHEMBL1532611,2.71
+CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,CHEMBL36,2.31
+S(c1ccccc1)c2ccc3ccccc3n2,CHEMBL1644331,3.92
+ON1C(=O)N(CC2COc3ccccc3O2)c4ccsc4C1=O,CHEMBL361546,1.44
+CC(C)(C)NS(=O)(=O)c1cncc(c1)c2ccc3nc(NC(=O)NCC(=O)N4CCCC4)nn3c2,CHEMBL2057371,1.37
+CN(c1ccnc(Nc2cc(OC3CCOCC3)cc(c2)N4CCOCC4)n1)c5cc(CO)ccc5C,CHEMBL1762543,3.7
+NC(=O)c1cnc(c2ccc(cc2)C3(N)CCC3)c(c1)c4ccccc4,CHEMBL2035040,1.3
+CC(C)OC(=O)N1CC2COCC(C1)C2Oc3ncnc(Oc4cccnc4C)c3C,CHEMBL1766082,3.1
+CCCc1c(O)c(ccc1OCc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2)C(=O)C,CHEMBL167471,2.95
+CCC(N(CCCN)C(=O)c1ccc(C)cc1)C2=Nc3ccoc3C(=O)N2Cc4ccccc4,CHEMBL1829422,1.37
+NC1(CCC1)c2ccc(cc2)c3c(ccc4ccnn34)c5ccccc5,CHEMBL2035032,2.9
+O=C(COCc1ccccc1)Nc2ccc3c(c2)C(=O)C(=O)c4ccccc34,CHEMBL53966,3.21
+Nc1ncnc2c1c(COc3cccc(Cl)c3)nn2C4CCOCC4,CHEMBL2069623,3.17
+CC(C)(C)OC(=O)N1CCC(CC1)c2ncc(OCc3ccc(cc3)S(=O)(=O)C)cn2,CHEMBL2086658,2.8
+OC(=O)[C@H](Cc1ccc(OCCNc2ccccn2)cc1)NC(=O)c3c(Cl)cccc3Cl,CHEMBL2030813,-0.48
+CN1CCN(CC1)c2nc(NCCNc3ccc(cc3)[N+](=O)[O-])c4ccccc4n2,CHEMBL587004,2.91
+CNC(=O)c1snnc1c2ccccc2,CHEMBL1598315,1.23
+C[C@H](Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c5ccc(O)c(CO)c5,CHEMBL402501,2.4
+NC1(CCC1)c2ccc(cc2)c3ncc4cnccc4c3c5ccccc5,CHEMBL2035029,2.2
+COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1,CHEMBL605846,0.79
+NC(=O)c1cc(C(=O)N)n(n1)c2cccc(c2)c3cc(ccc3C(F)(F)F)C(F)(F)F,CHEMBL1631095,3.4
+C[C@H](NC(=O)c1c(C)nn(C2CCS(=O)(=O)CC2)c1NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C,CHEMBL1934419,0.25
+Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC(=O)c3ccc(C)cc3)C(O)CNC(C)(C)C,CHEMBL1201295,3.57
+O[C@@H]1CCN(C1)c2ccc3c(NC(=O)CNc4cccc(c4)C#N)c(Cl)ccc3n2,CHEMBL551984,2.39
+CN(C1CCN(CCC(c2ccccc2)c3ccccc3)CC1)C(=O)c4ccncc4,CHEMBL182266,2.8
+C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc3ccc(Cl)cc3NC(=O)N,CHEMBL232656,1.91
+Brc1ccccc1NC(=O)Nc2ccc(C#N)c3[nH]nnc23,CHEMBL38182,1.64
+Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)c7[nH]c8[C@@H]9Oc%10c(O)ccc%11C[C@H]%12N(CC%13CC%13)CC[C@@]9(c%10%11)[C@@]%12(O)Cc8c7C[C@@]36O,CHEMBL573214,1.41
+CNCc1ccc(cc1)c2[nH]c3cc(F)cc4C(=O)NCCc2c34,CHEMBL1173055,1.17
+COc1ccc(cc1)C(=O)N2CCCC2=O,CHEMBL36994,0.93
+Cc1ccc(cc1)N2NC(=O)c3cccnc23,CHEMBL1319232,2.1
+O=C1CCOc2nc(ccc12)C#CC3CCCCC3,CHEMBL1682823,3.3
+OC(=O)[C@H](Cc1ccc(cc1)C#CCCNc2ccccn2)NC(=O)c3c(Cl)cccc3Cl,CHEMBL2031157,0.27
+Nc1ccc(N=Nc2ccccc2)c(N)n1,CHEMBL1625467,3.22
+CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C5=CC(=O)OC5,CHEMBL1981679,0.64
+Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1,CHEMBL101253,3.7
+CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3,CHEMBL787,3.45
+CC(N1NC(=O)C2=C(C1=O)C(=O)c3ccc(Cl)cc3N2)c4oc5ccccc5c4,CHEMBL226804,2.1
+Cc1ccc(cc1NC(=O)c2ccc(OCc3ccccn3)cc2)c4ccc(N)nn4,CHEMBL2057336,2.47
+CC1=C(C)C(=O)C(=C(C)C1=O)C(CCCCCC(=O)O)c2ccccc2,CHEMBL70972,2.48
+O=S(=O)(Nc1ccccc1c2ccccc2)c3ccccc3,CHEMBL1731705,3.96
+Cc1cccc(NS(=O)(=O)c2cccc3nonc23)c1,CHEMBL1401353,3.0
+CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5,CHEMBL397983,3.7
+CCO\N=C(\C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)cc[n+]([O-])c3C)/c4ccc(Br)cc4,CHEMBL78535,2.14
+OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1,CHEMBL259084,2.58
+CC(=O)Nc1cccc(Nc2nc(NC3CC3)n4ncc(C#N)c4n2)c1,CHEMBL398149,2.1
+CNc1ccc2ncc(c3cccc(O)c3)n2n1,CHEMBL1240590,2.99
+CCCS(=O)(=O)N1N=Cc2cc(Cl)ccc2B1O,CHEMBL171951,-0.4
+CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c3ccccc3)C(=O)O)cc1)c4oc5ccccc5n4,CHEMBL423026,2.47
+FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c3ccccc3)cc(c1)C(F)(F)F,CHEMBL27006,3.6
+Nc1nc(NCc2ccccc2)nc3c1nc(O)n3Cc4ccccc4,CHEMBL380936,3.69
+CN1CCC(CC1)Oc2nccc(Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C)n2,CHEMBL185315,1.8
+NC(=O)c1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)c1,CHEMBL1224065,1.01
+COc1ccc(F)c(F)c1C(=O)c2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N,CHEMBL384304,2.08
+CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2CCN(CCOC)CC2)c3cccc(NC(=O)C4CC4)c3,CHEMBL1939743,2.35
+CC(C)C(NC(=O)CN1C(=O)C(=CN=C1C(C)C)NC(=O)OCc2ccccc2)C(=O)C(F)(F)F,CHEMBL11334,2.63
+O[C@H](CNC(=O)C1=CC(=O)Nc2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2208434,3.48
+COC1CCN(CC1)C(=O)C2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N5C6CCC5CC6)c7cc(C)cc(C)c7)CC2,CHEMBL250389,4.09
+COc1ccc(c(OC)c1)c2cncc(CNC3CCCC3)n2,CHEMBL1779001,2.14
+COc1cc2ncnc(Nc3cc(NC(=O)c4cccc(c4)N5CCOCC5)ccc3C)c2cc1OC,CHEMBL184052,3.6
+Clc1ccc(OC2CCN(CC2)C3CCN(CC3)C(=O)C4=CNC(=O)c5ccccc45)cc1Cl,CHEMBL2171020,3.51
+O=C1N(C(=Nc2c1cnn2c3ccccc3)c4occc4)c5ccccc5,CHEMBL1442709,3.29
+CC(C)CN1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)n[nH]c3C)c2C(=O)N4C[C@H](O)CO4,CHEMBL375166,1.07
+CC(C)C(NC(=O)CN1C(=O)c2nc(O)nc(O)c2C=C1c3ccccc3)C(=O)C(F)(F)F,CHEMBL13863,1.88
+Cc1ccc(CN2C(=O)CCSc3ccc(Cl)cc23)cc1,CHEMBL1586839,3.7
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3occc3,CHEMBL1560812,2.17
+O=C(CCN1CCCCC1)Nc2ccc(C3=CC=CN4C(=O)C=C(N=C34)N5CCOCC5)c6sc7ccccc7c26,CHEMBL1630130,2.9
+Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3F)N4C[C@H](COc5ccon5)OC4=O,CHEMBL1760962,1.24
+C[C@H](CO)Nc1nc(SCc2csc(C)n2)nc3NC(=O)Sc13,CHEMBL402728,1.73
+OC1=C(C(=O)Nc2cc(Cl)ccc12)c3cccc(Oc4ccccc4)c3,CHEMBL31741,2.96
+OC(=O)C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4,CHEMBL442956,0.78
+CCCc1nc2c(N)nc3ccccc3c2s1,CHEMBL512901,4.09
+Brc1ccc(cc1)C(=O)Cn2cnc3ccccc23,CHEMBL1707308,3.22
+O=S(=O)(Nc1cccnc1)c2cccs2,CHEMBL225510,0.54
+C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc5cscn5)c3)c12)C(=O)N6CCOCC6,CHEMBL404327,2.81
+COc1cc(cc(OC)c1OC)C(=O)N2CC[C@@](CCN3CCC(CC3)(C(=O)N)c4ccccc4)(C2)c5ccc(Cl)c(Cl)c5,CHEMBL330366,3.23
+C[C@H](CO)Nc1nc(SCc2csc(C)n2)nc3nc(N)sc13,CHEMBL390191,1.73
+N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F,CHEMBL1422,0.31
+CNC1(C)C2CCC(C2)C1(C)C,CHEMBL267936,-0.84
+O=C(Cc1cccc2ccccc12)Nc3ccccc3,CHEMBL1875368,3.9
+O=C(Nc1cccc2cccnc12)[C@@H]3CC[C@H](CC3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O,CHEMBL1956163,3.94
+NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CCCN4CCCC4)c5ccc(Cl)cc5,CHEMBL2325994,1.3
+OC1=NC(=O)CN1N=Cc2oc(cc2)c3ccc(cc3)[N+](=O)[O-],CHEMBL1741132,1.35
+CN(C)c1nc(nc(n1)N(C)C)N(C)C,CHEMBL1455,2.44
+OC(CN1CCCCC1)(C(=O)c2ccccc2)c3ccccc3,CHEMBL1896037,3.41
+C(CCNc1cc(nc2ccccc12)c3ccccc3)CNc4cc(nc5ccccc45)c6ccccc6,CHEMBL530184,3.65
+O=C1CCCc2nc(ccc12)C#Cc3ccccc3,CHEMBL252956,3.53
+COc1ccc(cc1)c2csc(n2)N(CCCN3CCOCC3)C(=O)c4occc4,CHEMBL1624252,3.34
+CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N2CCCC2,CHEMBL429330,2.49
+Cn1cncc1c2c3C(=O)N(C4CC4)C(=O)N(CC5CC5)c3nn2Cc6ccnc7ccc(Cl)cc67,CHEMBL2087851,3.53
+[O-][N+](=O)c1cccc(c1)c2ccc(OCC(CCc3ccc(cc3)C(=O)N4CCCC4)N5C(=O)CCCC5=O)cc2,CHEMBL335707,2.31
+Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)c3ccccc3,CHEMBL1716201,4.15
+COc1cc2cc(nc(C)c2cc1OC)c3ccc(O)cc3O,CHEMBL1549615,3.9
+O=C1N(Cc2ccccc12)C3CCN(CCC(c4ccccc4)c5ccccc5)CC3,CHEMBL27364,4.1
+CC(=O)Nc1nc(cs1)c2cccs2,CHEMBL1333251,2.77
+CC1=CN([C@H]2CCCN(C2)[C@H](CC3CCOCC3)c4ccc(C(=O)O)c(Oc5cccc(Cl)c5)c4)C(=O)NC1=O,CHEMBL2179285,-0.25
+Fc1ccc(Oc2cc(F)c(cc2F)S(=O)(=O)Nc3ncc(Cl)s3)c(c1)c4cn[nH]c4,CHEMBL2323303,2.7
+COc1ccc(N(C(C(=O)NC[C@@H](C)O)c2ccccc2F)C(=O)c3ccoc3Cl)c(OC)c1,CHEMBL513370,2.36
+CC(C)(C)NC(=O)Nc1ccc(cc1)c2c(N)nc(N)nc2COCc3ccccc3,CHEMBL212761,3.09
+C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)c2cc(Br)ccc2Br,CHEMBL1672434,2.13
+CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4ccccc34)S(=O)(=O)C,CHEMBL13817,1.4
+O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3CNc4ccccc4,CHEMBL1907830,2.4
+CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,CHEMBL1278,0.48
+CN(CCN(C)C(=O)CCOCCc1ccccc1)CCc2ccc(O)c3nc(O)sc23,CHEMBL111732,2.59
+CN1C(=O)N(Cc2ccc(Br)cc2)c3ccccc13,CHEMBL1701081,2.81
+OC(=O)c1cncc(c1)c2cnc3[nH]c(cc3c2n4ccc(n4)C(F)(F)F)C(=O)NC5CC5,CHEMBL2059373,-0.98
+CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,CHEMBL1148,0.3
+CC(C)CN1C(=O)N(C)C(=O)c2c(SC3CCCCC3)c(Cc4ccccc4C(F)(F)F)sc12,CHEMBL377309,4.14
+O=C(Nc1nccs1)c2ccccc2,CHEMBL90846,2.43
+CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3cccc(F)c3F,CHEMBL2152252,2.8
+Clc1ccc(cc1C(=O)NCC23CC4CC(CC(C4)C2)C3)N5N=CC(=O)NC5=O,CHEMBL551170,2.1
+Oc1ccc(CCNCCCS(=O)(=O)NCCSCCc2ccccc2)c3sc(O)nc13,CHEMBL111350,1.77
+CCS(=O)(=O)c1ccc(Oc2cc3nc([nH]c3cc2CN4C(=O)CCC4=O)c5ccccn5)cc1,CHEMBL595122,2.0
+OC(=O)c1ccc2c(c1)nc(Nc3cccc(c3)C#C)c4ncncc24,CHEMBL1682283,0.92
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NC(=O)NCc3ccc[n+]([O-])c3)C(=O)C(F)(F)F,CHEMBL325503,1.48
+CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,CHEMBL51483,2.75
+Fc1ccc(cc1)C(=O)N2CCC[C@@H](C2)c3onc(n3)c4ccc(F)cc4,CHEMBL381055,3.73
+CC1(C)CC(=O)c2c(N)c3ccccc3nc2C1,CHEMBL1478435,3.0
+CNC1=Nc2ncccc2C(=NC1c3cccs3)c4cc[nH]c4,CHEMBL445496,1.73
+CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C,CHEMBL107955,1.67
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(NC(=O)c5oncc5)ccc4C,CHEMBL2031235,1.75
+NC(=O)c1sc(cc1NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c3ccsc3,CHEMBL1555870,2.39
+CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)CCCc2ccc(OC)cc2,CHEMBL2021706,0.4
+Clc1ccc(cc1C(=O)NCC23CC4CC(CC(C4)C2)C3)C5CCNCC5,CHEMBL393348,1.58
+Oc1ccccc1OCC(=O)NC2CCCC2,CHEMBL1366397,2.31
+NC(=N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N,CHEMBL1962616,-0.51
+O=C1COC2(CCN(CC2)S(=O)(=O)c3ccc(cc3)c4ccc5cccnc5c4)CN1C6CC6,CHEMBL2147032,3.24
+CCN1CCOC(C1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(Cl)c(Cl)c3,CHEMBL2036779,2.1
+O=C(C1CCN(CC1)c2nnc(s2)n3cccc3)N4CCN(Cc5ccc6OCOc6c5)CC4,CHEMBL1486517,2.5
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCN(CC3)c4nc5ccncc5s4,CHEMBL2070950,1.6
+Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1,CHEMBL1172,1.48
+CS(=O)(=O)c1ccc(s1)C(=O)NC[C@@H](O)CN2CCC(CC2)Oc3ccc(Cl)c(Cl)c3,CHEMBL2208426,2.86
+CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1,CHEMBL1270772,3.0
+Nc1nc(O)c2ncn(COCCO)c2n1,CHEMBL184,-1.42
+Cn1ncc(Cl)c1c2cc(sc2Cl)C(=O)N[C@H](CN)Cc3cccc(F)c3,CHEMBL2219422,2.99
+COc1ccccc1CNCCc2cccc(CCNC[C@H](O)c3ccc(O)c4NC(=O)Sc34)c2,CHEMBL1945299,0.91
+COc1ccc2c(c1)[nH]c3c(C)nccc23,CHEMBL269538,2.9
+CC(C)Oc1cc(OCCN2CCOCC2)cc3ncnc(Nc4c(Cl)ccc5OCOc45)c13,CHEMBL436968,3.68
+CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N5CC[C@@H](N)C5)c2c1Cl,CHEMBL2331843,2.0
+CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc4C)C(=O)Nc5ccon5,CHEMBL2031461,1.87
+COc1ccccc1N2CCN(CC3=C(Br)C(=O)N(N3C)c4ccccc4)CC2,CHEMBL1774099,2.5
+COc1cc(OC)c2nc(C)c3CCN(c4ccc(O)cc4)c3c2c1,CHEMBL1468264,1.5
+C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1,CHEMBL1922094,1.9
+CCN(C)C(=O)c1ccc(cc1)[C@@H](N2CCN(Cc3cccnc3)CC2)c4cccc(NC(=O)C5CCC5)c4,CHEMBL1939741,3.27
+C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)C2CCCCC2)c3ccccc3)C(C)(C)C,CHEMBL1916286,1.75
+C1Cc2ccccc2CN1c3ccncc3,CHEMBL51594,1.4
+CSc1ncccc1C(=O)NCc2ccc(C)cc2,CHEMBL1556667,2.71
+Oc1nnc(Cc2cccc(c2)C(=O)N3CCOCC3)c4ccccc14,CHEMBL204825,1.0
+Cc1ncc([N+](=O)[O-])n1CCO,CHEMBL137,-0.11
+O=C(CN1CCN(CC1)c2ccccc2)Nc3c(cnn3c4ccccc4)C#N,CHEMBL1311211,2.3
+Clc1ccc(CNc2nc(nc3ncccc23)N4CCN(CC4)C(=O)[C@@H]5CCCN5)c(Cl)c1,CHEMBL394859,2.41
+C[C@H](CO)Nc1nc(SCc2occc2)nc3NC(=O)Sc13,CHEMBL272705,2.21
+O[C@H](CNC(=O)c1c[nH]c2ccccc12)CN3CCC(CC3)Oc4ccc(Cl)c(Cl)c4,CHEMBL2208430,3.91
+COC(=O)C1C(CC2CCC1N2C)OC(=O)c3ccccc3,CHEMBL32363,1.06
+COc1ccc2C(=NC(=O)N(CCN3CCC(CC3)NCc4cc5OCCOc5cn4)c2c1)C,CHEMBL1916541,0.29
+COc1ccc(CNCc2ccc(cc2)c3cc(C(=O)N)c(NC(=O)N)s3)cc1,CHEMBL510101,2.55
+CCN1CCN(CC(=O)Nc2ccc(c3cccc4C(=O)C=C(Oc34)N5CCOCC5)c6sc7ccccc7c26)CC1,CHEMBL1086377,3.05
+CS(=O)(=O)c1ccc(nc1)c2nnc(\C=C\c3oc(nn3)c4ccc(cc4)C#N)n2c5ccccc5Cl,CHEMBL2325503,2.66
+CCN(C1CCN(CCC(C2CCN(Cc3ccccc3)CC2)c4ccccc4)CC1)C(=O)Cc5ccc(cc5)S(=O)(=O)C,CHEMBL1951904,2.41
+CN1C=CNC1=S,CHEMBL1515,-0.42
+Cc1nc(cs1)C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2,CHEMBL1289545,2.17
+CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3,CHEMBL1783734,1.39
+COc1cnc(nc1N(C)c2ccccc2)c3ccccn3,CHEMBL1534781,2.79
+O=S1NC(=NO1)Cc2ccc3ccccc3c2,CHEMBL17771,1.85
+CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN([C@H](Cc3ccccc3)C2)C(=O)C[C@H](N)Cc4ccc(F)c(F)c4)c1,CHEMBL360425,2.06
+CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc12,CHEMBL126519,2.6
+COc1ccc(CNC(=O)CSc2nc3cccnc3s2)cc1,CHEMBL1575409,2.5
+OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,CHEMBL1101,2.49
+CN1CCN(CC1)c2ccc(Nc3ccnc4ccccc34)cc2,CHEMBL217665,1.3
+CNc1ncc(s1)C(=O)c2ccccc2,CHEMBL1498995,2.36
+Cc1ccc2c(c1)c([S+]([O-])c3ccc(Cl)cc3)c(C)n2CC(=O)O,CHEMBL1917445,0.05
+CC(NC(=O)C1(N)CCN(CC1)c2ncnc3[nH]ccc23)c4cccnc4,CHEMBL2325988,1.2
+CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(C1)S(=O)(=O)c2ccccc2)C(C)(C)C,CHEMBL1950846,0.9
+Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c3ccc(cc3)S(=O)(=O)C,CHEMBL196707,-0.44
+CC(C)C(NC(=O)CN1C(=O)C(=CC=C1c2ccccc2)NS(=O)(=O)NCc3ccccc3)C(=O)C(F)(F)F,CHEMBL282694,2.57
+C[C@H](NC(=O)c1c(C)nn(C2CCOCC2)c1NS(=O)(=O)c3ccc(C)cc3)C(C)(C)C,CHEMBL1934422,0.5
+C\N=C(/S)\n1nc(nc1N)c2ccc(Cl)cc2,CHEMBL103771,4.12
+O[C@@H](CNCCCSCCOCCc1ccccc1)c2ccc(O)c3NC(=O)Sc23,CHEMBL1807818,2.3
+CC1=CC(=O)Oc2cc3NCCCc3cc12,CHEMBL1451129,2.7
+C1CN=C(N1)c2ccc3ccccc3n2,CHEMBL13698,0.6
+CCCc1c(O)c(ccc1OCc2ccc(\C=C\c3nn[nH]n3)cc2)C(=O)C,CHEMBL167176,3.3
+CSc1ccc(OCc2ccccc2)c(\C=C\c3ccc(cn3)C(=O)O)c1,CHEMBL191802,2.45
+CNc1c(Br)cnc2[nH]c(nc12)c3ccc(OCCCN4CCOCC4)cc3,CHEMBL2011916,2.96
+C[C@H]([C@H](O)c1ccc(O)cc1)N2CCC(O)(CC2)c3ccccc3,CHEMBL321758,0.91
+Cc1cc(C)cc(c1)c2[nH]c3ccc(cc3c2CCNCCCCc4ccncc4)C(C)(C)C(=O)N5C6CCC5CC6,CHEMBL48616,4.3
+CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)Cc4ccccc4,CHEMBL440765,0.99
+Cc1c(Sc2ccc(Cl)cc2)c3cc(ccc3n1CC(=O)O)c4ccccc4,CHEMBL1917439,3.7
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCN(CC3)c4cnccn4)c(F)c2,CHEMBL122695,1.49
+NCCCCN(Cc1nc2ccccc2[nH]1)C3CCCc4cccnc34,CHEMBL1088913,0.83
+CCN1C(=O)C2=C(OC(=CC2=O)O)c3ccccc13,CHEMBL1387125,1.13
+Clc1c(NCC2CCNCC2)nccc1C(=O)NCC34CC5CC(CC(C5)C3)C4,CHEMBL564885,0.6
+NNC1=Nc2ccccc2NC1=O,CHEMBL600780,0.44
+CCCC1CCCCC(=N1)N,CHEMBL1194759,1.1
+O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c3ccc(O)c(NC=O)c3,CHEMBL1940832,0.02
+Nc1scc2C(=NN(C(=O)c12)c3ccc(F)cc3)C(=O)NC4CC4,CHEMBL2058280,2.8
+O=C(NC1(CC1)C#N)[C@@H]2CCCC[C@H]2C(=O)N3CCc4[nH]c5ncccc5c4C3,CHEMBL2163360,2.13
+Cn1cnc(c1Sc2ncnc3nc[nH]c23)[N+](=O)[O-],CHEMBL1542,0.19
+OCCN1CCN(Cc2ccc3c(NC(=O)CC45CC6CC(CC(C6)C4)C5)c(Cl)ccc3n2)CC1,CHEMBL549620,2.93
+OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,CHEMBL63323,1.0