ID,SMILES,VALUE,nOccurence,Nonadd_pC
CHEMBL1335967,CN1CCN(c2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)CC1,7.9,6,3.2
CHEMBL1479202,COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCOCC4)nc32)c1,8,5,3.1
CHEMBL1316759,COc1ncc2nc(C)c(=O)n(CCC#N)c2n1,6.5,2,2.8
CHEMBL1396862,O=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,7.1,1,2.8
CHEMBL1435702,CS(=O)(=O)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,6,1,2.8
CHEMBL1473753,O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1,5.4,1,2.8
CHEMBL1553056,CS(=O)(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1,7.1,1,2.8
CHEMBL1593545,CCN=c1nc2c(c[nH]1)nc(-c1ccccc1)c(=O)n2Cc1ccc(F)cc1,7.8,4,2.8
CHEMBL1433687,COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCc3ccccc3)c2n1,7.6,16,2.5
CHEMBL1437164,COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)cc1,6.9,25,2.5
CHEMBL1557821,O=C(c1ccco1)N1CCC2(CC1)CCN(c1ccncc1)CC2,6.6,2,2.5
CHEMBL1611348,O=C(c1ccco1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,5.1,2,2.5
CHEMBL1472705,CCN=c1nc2c(c[nH]1)nc(-c1ccccc1)c(=O)n2C,4.9,4,2.2
CHEMBL1474471,CCN=c1nc2c(c[nH]1)nc(-c1ccccc1)c(=O)n2CCc1ccccc1,5.9,1,2
CHEMBL1553136,COCCn1c(=O)c(-c2ccc(F)cc2)nc2c[nH]c(=Nc3cccc(OC)c3)nc21,7.7,3,1.9
CHEMBL1554308,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2ccc(F)cc2)c(=O)n3C[C@H]2CCCO2)c1,5.5,3,1.9
CHEMBL1318310,COc1cccc(-c2nc(=NCc3cccc(C)c3)cc[nH]2)c1,5.8,1,1.8
CHEMBL1411543,Cc1nc2cnc(N(C)C)nc2n(Cc2ccc(F)cc2)c1=O,6.5,29,1.8
CHEMBL1412847,Cc1cccc(CN=c2cc[nH]c(-c3ccccc3C(F)(F)F)n2)c1,5.9,1,1.8
CHEMBL1446009,COc1ccccc1CN=c1cc[nH]c(-c2ccccc2C(F)(F)F)n1,7.8,1,1.8
CHEMBL1568735,COc1cccc(-c2nc(=NCc3ccccc3OC)cc[nH]2)c1,5.9,1,1.8
CHEMBL1568767,Cc1cccc(CN=c2[nH]cnc3ccc(-c4cccc(C#N)c4)cc23)c1,6.1,3,1.8
CHEMBL491939,COc1ccc(CN=c2[nH]cnc3ccc(-c4cccc(C#N)c4)cc23)c(OC)c1,7.8,3,1.8
CHEMBL1598565,Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc21,5.9,3,1.7
CHEMBL491771,Cc1cccc(CN=c2[nH]cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)c1,6.3,1,1.7
CHEMBL1453655,Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,6.8,5,1.5
CHEMBL1474318,O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1C1CC1,6.6,28,1.5
CHEMBL1590886,CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)CC1,5,8,1.5
CHEMBL1315257,CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C3CC3)c2n1,6.6,18,1.4
CHEMBL1317924,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1,4.6,15,1.4
CHEMBL1337163,N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc21,4.5,2,1.4
CHEMBL1364168,NCCn1c(=O)c(CCc2ccccc2)nc2cncnc21,4.8,3,1.4
CHEMBL1371726,O=C(NCc1ccccc1)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,6.1,4,1.4
CHEMBL1397763,O=C(NCc1ccccc1)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.6,4,1.4
CHEMBL1475562,CN(C)c1ccc(-c2nc(N(C)C)c3ccccc3n2)cc1,6.1,1,1.4
CHEMBL1514071,CN(C)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1,6.1,1,1.4
CHEMBL1533572,CN(C)c1nc(-c2cccc(C#N)c2)nc2ccccc12,7.4,1,1.4
CHEMBL1553741,Cn1cc(-c2nc3cncnc3n(CCN)c2=O)c2ccccc21,4.8,3,1.4
CHEMBL1609324,CN(Cc1ccco1)c1nc(-c2cccc(C#N)c2)nc2ccccc12,6,1,1.4
CHEMBL117,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12,5.3,1,1.3
CHEMBL1317378,O=c1cnc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1,5.8,9,1.3
CHEMBL1394956,COC(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1,4.5,1,1.3
CHEMBL1395281,O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ccncc1)C2,5.3,1,1.3
CHEMBL1398467,COCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2,5.4,2,1.3
CHEMBL1446112,O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccccn1)C2,5.6,1,1.3
CHEMBL1477492,O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1,5.3,1,1.3
CHEMBL1477557,N#Cc1ccc(CN2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1,4.4,1,1.3
CHEMBL151,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,4.5,1,1.3
CHEMBL1520590,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,6,1,1.3
CHEMBL1552405,O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ccccn1)C2,5.1,1,1.3
CHEMBL1554453,COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(OC)nc32)c1,4.9,22,1.3
CHEMBL1559023,COC(=O)N1CCC2(CCCN(Cc3ccc(C#N)cc3)C2)CC1,4.9,1,1.3
CHEMBL1591876,COCC(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,6.4,2,1.3
CHEMBL309490,O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12,5.5,1,1.3
CHEMBL131921,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,7.6,1,1.2
CHEMBL1358588,O=c1c(-c2cccs2)nc2cncnc2n1C1CC1,4.8,31,1.2
CHEMBL1370756,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1cnccn1)c1ccccc1,5.3,5,1.2
CHEMBL1397406,O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2,4.6,2,1.2
CHEMBL1488197,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1cnccn1)c1ccccc1,7.2,5,1.2
CHEMBL1511972,Cc1nc2cnc(N3CCN(C)CC3)nc2n(C[C@H]2CCCO2)c1=O,5.5,2,1.2
CHEMBL1568019,COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccccc3)(C(=O)OC)[C@@H]21,6.7,17,1.2
CHEMBL242341,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,8,1,1.2
CHEMBL44,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,6,1,1.2
CHEMBL8145,O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,5.2,1,1.2
CHEMBL1321973,COC(=O)C1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.8,1,1.1
CHEMBL1328274,N#CCCn1c(=O)cnc2cnc(N3CCNCC3)nc21,5.7,10,1.1
CHEMBL1398587,COC(=O)C1C[C@H]1[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1,5.4,1,1.1
CHEMBL1400309,O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,5.3,15,1.1
CHEMBL1436536,COC(=O)C1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.7,1,1.1
CHEMBL1437364,O=c1cnc2c[nH]c(=Nc3ccccc3)nc2n1CCc1ccccc1,6.6,8,1.1
CHEMBL1495675,CC(C)C[C@@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C1CCCC[C@H]1N,4.4,1,1.1
CHEMBL1513665,CN1CCN(c2ncc3nc(-c4ccc(F)cc4)c(=O)n(C4CC4)c3n2)CC1,4.9,12,1.1
CHEMBL1568129,CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,6.1,5,1.1
CHEMBL1593219,COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(C3CC3)c2=O)cc1,5.1,40,1.1
CHEMBL1607228,COC(=O)C1C[C@@H]1[C@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1,4.4,1,1.1
CHEMBL1609700,CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1,4.7,5,1.1
CHEMBL1491332,CCN=c1nc2c(c[nH]1)ncc(=O)n2C1CC1,4.7,8,1
CHEMBL1495077,O=C(c1cnccn1)N1CCC2(CCCN(Cc3nccs3)C2)CC1,4.8,2,1
CHEMBL1553373,CC(C)C[C@@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C1CCCC[C@H]1N,5.4,2,1
CHEMBL1591908,O=C(c1ccncc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1,4.8,2,1
CHEMBL1316562,O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1C1CC1,6.9,49,0.99
CHEMBL1394579,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N3CCN(C)CC3)nc21,5.4,11,0.98
CHEMBL1316796,CCN=c1nc2c(c[nH]1)nc(-c1cccs1)c(=O)n2C,5,7,0.97
CHEMBL1397151,CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2n1,4.9,11,0.97
CHEMBL1404884,Cn1cc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(CCC#N)c2=O)c2ccccc21,5.6,10,0.97
CHEMBL1476693,O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1,4.6,3,0.97
CHEMBL1481510,O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1,6.8,67,0.97
CHEMBL1515874,O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccncc1)C2,4.5,2,0.95
CHEMBL1612694,CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(C[C@H]4CCCO4)c3n2)CC1,4.6,2,0.95
CHEMBL1395137,Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(CCc3ccccc3)c2=O)c2ccccc21,5,31,0.92
CHEMBL1315700,O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ccccn1)CC2,5,2,0.9
CHEMBL1316464,COC(=O)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1,4.4,1,0.9
CHEMBL1316839,COC(=O)NC(c1ccc2ccccc2c1)C(C(C)=O)C(=O)OC,5.4,1,0.9
CHEMBL1354272,COC(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1,4.7,1,0.9
CHEMBL1354934,COC(=O)NC(c1ccc(Cl)cc1)C(C(=O)OC)C(C)=NCc1ccccc1,5.2,1,0.9
CHEMBL1369863,O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1,4.4,1,0.9
CHEMBL1411814,COC(=O)NC(c1ccc(Cl)cc1)C(C(C)=O)C(=O)OC,5.5,1,0.9
CHEMBL1456872,CS(=O)(=O)Nc1cccc(-c2c[nH]cnc2=NCc2cccs2)c1,6.9,1,0.9
CHEMBL1513115,COC(=O)NC(c1ccc2ccccc2c1)C(C(=O)OC)C(C)=NCc1ccccc1,6,1,0.9
CHEMBL1514390,O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,5.6,4,0.9
CHEMBL1551834,O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1,5,1,0.9
CHEMBL1572855,CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1,6.2,23,0.9
CHEMBL489934,COc1cccc(-c2c[nH]cnc2=NCc2ccccc2)c1,6.8,1,0.9
CHEMBL490718,CS(=O)(=O)Nc1cccc(-c2c[nH]cnc2=NCc2ccccc2)c1,6.4,1,0.9
CHEMBL1487748,CC(C(=O)NCC1CC1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.8,12,0.88
CHEMBL1593731,CC(C(=O)NCC1CC1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5.9,12,0.88
CHEMBL1435259,CCN=c1nc2c(c[nH]1)nc(-c1ccc(OC)cc1)c(=O)n2Cc1ccc(F)cc1,4.5,3,0.87
CHEMBL1512027,CCN=c1nc2c(c[nH]1)nc(-c1ccc(OC)cc1)c(=O)n2C,4.5,3,0.87
CHEMBL1564545,O=C(c1ccncc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,4.7,3,0.87
CHEMBL491547,COc1ccc(CN=c2[nH]cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)c(OC)c1,6.3,2,0.85
CHEMBL1594329,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,6.7,38,0.84
CHEMBL1590982,COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21,5,6,0.83
CHEMBL1600340,O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1C1CC1,6.8,54,0.83
CHEMBL1317602,CC(=O)N[C@@H](c1ccccc1)[C@]1(C)C[C@H]1C(C)C(=O)Nc1ccc2ccccc2c1,5.2,5,0.82
CHEMBL1408735,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,6.2,30,0.82
CHEMBL1410865,CC(=O)N[C@H](c1ccccc1)[C@@]1(C)C[C@@H]1C(C)C(=O)Nc1ccc2ccccc2c1,5,5,0.82
CHEMBL1487735,O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,6.4,40,0.81
CHEMBL1554723,O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,6.2,16,0.81
CHEMBL1318480,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2cccs2)c(=O)n3C[C@H]2CCCO2)c1,5.6,2,0.8
CHEMBL1446649,O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccccc1,5.7,45,0.8
CHEMBL1451768,O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ncccn1)CC2,4.8,1,0.8
CHEMBL1476146,N#Cc1cccc(-c2nc3cnc(N4CCOCC4)nc3n(Cc3ccc(F)cc3)c2=O)c1,4.9,1,0.8
CHEMBL1476670,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3c[nH]c(=Nc4cccc(OC)c4)nc32)c1,6.1,2,0.8
CHEMBL1516249,O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ncccn1)CC2,4.9,1,0.8
CHEMBL1355101,O=C(NCC1CC1)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.8,4,0.78
CHEMBL1411081,O=C(NCC1CC1)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5,4,0.78
CHEMBL1436042,Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(C)c2=O)c2ccccc21,5.1,26,0.77
CHEMBL1481608,O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccccc1,4.9,42,0.77
CHEMBL1441192,CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C)c3n2)CC1,5.2,13,0.75
CHEMBL1512701,COc1ccc(CN=c2[nH]c(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c(OC)c1,6.8,2,0.75
CHEMBL1596756,COc1ccccc1CN=c1[nH]c(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12,6.2,2,0.75
CHEMBL1485361,COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@H]21,4.4,21,0.72
CHEMBL1562477,Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21,4.6,34,0.71
CHEMBL1363234,Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@]2(C)C[C@@H]2C(C)C(=O)Nc2ccc3ccccc3c2)n(C)n1,5.1,5,0.7
CHEMBL1409148,Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2C(C)C(=O)Nc2ccc3ccccc3c2)n(C)n1,5.4,5,0.7
CHEMBL1410676,COc1ccc(CN=c2[nH]cncc2-c2ccc3c(c2)OCO3)c(OC)c1,6,1,0.7
CHEMBL1452221,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1,6.1,1,0.7
CHEMBL1558135,CCN=c1nc2c(c[nH]1)nc(-c1cccs1)c(=O)n2Cc1ccc(F)cc1,4.5,6,0.7
CHEMBL1563507,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,1,0.7
CHEMBL1594372,COc1ccccc1CN=c1[nH]cncc1-c1ccccc1OC,5.8,1,0.7
CHEMBL492127,COc1ccc(CN=c2[nH]cncc2-c2ccccc2OC)c(OC)c1,6.1,1,0.7
CHEMBL1319604,N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3cccc(Cl)c3)nc21,4.6,17,0.69
CHEMBL1564477,O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,4.9,40,0.69
CHEMBL1354572,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N)C(C)C,5.2,5,0.68
CHEMBL1397427,COCCn1c(=O)cnc2c[nH]c(=Nc3cccc(OC)c3)nc21,4.6,5,0.68
CHEMBL1397671,COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)cc1,4.7,36,0.68
CHEMBL1532597,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,24,0.68
CHEMBL1354408,O=C(c1ccncc1)N1CCC2(CCCN(c3ccccn3)C2)CC1,5.8,15,0.67
CHEMBL1362931,O=C(c1ccncc1)N1CCC2(CCCN(c3ncccn3)C2)CC1,5.8,8,0.67
CHEMBL1533516,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.1,48,0.67
CHEMBL1572173,CCN=c1nc2c(c[nH]1)ncc(=O)n2CCc1ccccc1,4.8,9,0.67
CHEMBL1479767,COc1ccc(Oc2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(CCC#N)c3n2)cc1,4.5,14,0.66
CHEMBL1554236,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21,5.9,63,0.66
CHEMBL1318448,COc1ncc2nc(C)c(=O)n(Cc3ccc(F)cc3)c2n1,4.4,15,0.65
CHEMBL1440509,COc1ccc(-c2nc3cnc(OC)nc3n(CCc3ccccc3)c2=O)cc1,5.2,27,0.65
CHEMBL1552922,O=c1cnc2c[nH]c(=Nc3ccccc3)nc2n1C1CC1,4.5,8,0.65
CHEMBL1559404,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21,4.6,16,0.65
CHEMBL1314971,COc1ccc(Oc2ncc3nc(C)c(=O)n(-c4ccccc4)c3n2)cc1,5,7,0.64
CHEMBL1433668,COCCn1c(=O)c(C)nc2c[nH]c(=Nc3cccc(OC)c3)nc21,4.4,5,0.64
CHEMBL1436361,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1,4.6,8,0.64
CHEMBL1515867,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCN(C)CC3)nc21,4.4,20,0.64
CHEMBL1552542,COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3cccs3)c2=O)cc1,4.4,36,0.64
CHEMBL1554088,COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C3CC3)c2n1,4.5,25,0.64
CHEMBL1325701,COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCc3ccccc3)c2n1,5.2,30,0.63
CHEMBL1369212,Cc1ccc(CNC(=O)C(C)[C@H]2C[C@]2(C)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c(F)c1F,5.2,10,0.63
CHEMBL1449371,N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4ccncc4)CC3)C2)cc1,4.4,12,0.63
CHEMBL1456076,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1,4.9,33,0.63
CHEMBL1562339,Cc1ccc(CNC(=O)C(C)[C@@H]2C[C@@]2(C)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c(F)c1F,5.5,10,0.63
CHEMBL1595377,COCCn1c(=O)c(-c2cccs2)nc2cnc(OC)nc21,4.4,51,0.63
CHEMBL1364377,Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2C(C)C(=O)Nc2ccc3ccccc3c2)no1,6.8,5,0.62
CHEMBL1408013,Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@]2(C)C[C@@H]2C(C)C(=O)Nc2ccc3ccccc3c2)no1,5.4,5,0.62
CHEMBL1314172,COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)C3)cc1,4.9,1,0.6
CHEMBL1314182,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2ccccc2)c(=O)n3C2CC2)c1,5,1,0.6
CHEMBL1317805,O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccccc1)C2,5.6,1,0.6
CHEMBL1317884,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2ccccc2)c(=O)n3C[C@H]2CCCO2)c1,5.5,1,0.6
CHEMBL1329110,COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)c1,6.1,27,0.6
CHEMBL1331444,COC(=O)[C@@]1(Cc2ccc(OC)cc2)C2C(CC(=O)C(=O)N(C)C)C(=O)C[C@H]2CN1C(=O)c1ccccc1,4.4,1,0.6
CHEMBL1334847,COC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3ccc(OC)cc3)C2)C1,4.7,1,0.6
CHEMBL1355909,O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1,4.7,13,0.6
CHEMBL1356843,COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)Oc4ccccc4)C3)C2)cc1,4.6,1,0.6
CHEMBL1411389,COC(=O)[C@@]1(Cc2ccc(F)cc2)C2C(CC(=O)C(=O)N(C)C)C(=O)C[C@H]2CN1C(=O)c1ccccc1,4.7,1,0.6
CHEMBL1554465,Cn1cccc1C(=O)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,5.8,12,0.6
CHEMBL1565302,COC(=O)[C@@]1(Cc2ccc(F)cc2)C2C(CC(=O)C(=O)N3CCCC3)C(=O)C[C@H]2CN1C(=O)c1ccccc1,4.4,1,0.6
CHEMBL1574160,O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1,4.9,1,0.6
CHEMBL1591847,COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccncc2)C3)cc1,4.4,1,0.6
CHEMBL1592533,COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccccn2)CC3)cc1,4.4,2,0.6
CHEMBL1593019,COC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1,4.4,1,0.6
CHEMBL1599014,COC(=O)[C@@]1(Cc2ccc(OC)cc2)C2C(CC(=O)C(=O)N3CCCC3)C(=O)C[C@H]2CN1C(=O)c1ccccc1,4.7,1,0.6
CHEMBL1603692,Cn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21,4.4,46,0.6
CHEMBL1474578,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCN(C)CC4)nc32)c1,5.7,10,0.59
CHEMBL1527443,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,28,0.59
CHEMBL1574476,Cc1nc2cnc(N3CCOCC3)nc2n(Cc2cccs2)c1=O,4.8,13,0.59
CHEMBL1593707,Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(C3CC3)c2=O)c2ccccc21,5.4,22,0.59
CHEMBL1314416,O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccc(F)cc1,5.7,34,0.58
CHEMBL1551841,COc1cccc(Cn2c(=O)c(C)nc3c[nH]c(=Nc4cccc(OC)c4)nc32)c1,6,8,0.58
CHEMBL1592754,CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C3CC3)c2n1,5,45,0.58
CHEMBL1531108,COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)cc1,6.2,6,0.57
CHEMBL1532016,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,39,0.57
CHEMBL1592760,O=c1c(CCc2ccccc2)nc2cncnc2n1C1CC1,4.6,44,0.57
CHEMBL1604095,N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OCc3ccccc3)nc21,5.5,16,0.57
CHEMBL1378764,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,33,0.56
CHEMBL1354262,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,4.6,35,0.55
CHEMBL1372635,COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,5.2,29,0.55
CHEMBL1512222,CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1,4.6,2,0.55
CHEMBL1317344,COc1ccccc1CCn1c(=O)c(C)nc2cncnc21,4.5,40,0.54
CHEMBL1363513,COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.4,25,0.54
CHEMBL1437491,O=C(c1cnccn1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,4.5,5,0.54
CHEMBL1474056,COc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccc(OC)c3)c2=O)cc1,5.5,28,0.54
CHEMBL1315072,CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C)c2n1,5,12,0.53
CHEMBL1323385,COc1cccc(N=c2nc3c(c[nH]2)nc(C)c(=O)n3CCc2ccccc2)c1,5.5,3,0.53
CHEMBL1366732,COc1cccc(-c2c[nH]cnc2=NCc2cccs2)c1,6.4,3,0.53
CHEMBL1395882,Cc1nc2cnc(N(C)C)nc2n(CCc2ccccc2)c1=O,4.9,23,0.53
CHEMBL1436054,O=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1,6,39,0.53
CHEMBL1487191,COc1ccc(-c2nc3cnc(OC)nc3n(Cc3cccs3)c2=O)cc1,5.3,27,0.53
CHEMBL1574390,O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1,5.1,19,0.53
CHEMBL490756,Cc1cccc(CN=c2[nH]cnc3ccc(-c4ccccc4C#N)cc23)c1,6.3,4,0.53
CHEMBL1323549,O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccccc1,5.9,41,0.52
CHEMBL1369515,COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21,6.3,61,0.52
CHEMBL1395226,O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,4.5,30,0.52
CHEMBL1405744,O=c1cnc2c[nH]c(=Nc3ccccc3)nc2n1Cc1ccc(F)cc1,5.1,8,0.52
CHEMBL1417837,COc1cccc(N=c2nc3c(c[nH]2)ncc(=O)n3Cc2ccc(F)cc2)c1,5.8,8,0.52
CHEMBL1494529,Cc1nc2cncnc2n(C2CC2)c1=O,5.1,33,0.52
CHEMBL1592803,COc1ccc(CN=c2[nH]cnc3ccc(-c4ccc5c(c4)OCO5)cc23)c(OC)c1,6.3,5,0.52
CHEMBL522121,COc1ccc(CN=c2[nH]cnc3ccc(-c4ccccc4C#N)cc23)c(OC)c1,6.1,5,0.52
CHEMBL1357294,O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1C1CC1,5.5,19,0.51
CHEMBL1401214,COC(=O)Cn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]21,5.7,29,0.51
CHEMBL1554791,COc1ncc2nc(-c3cccs3)c(=O)n(C)c2n1,4.9,11,0.51
CHEMBL1316033,N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4csnn4)CC3)C2)cc1,4.6,9,0.5
CHEMBL1318597,O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1ccncc1)C2,4.5,1,0.5
CHEMBL1321624,NCCC[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.9,7,0.5
CHEMBL1330718,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,5.6,1,0.5
CHEMBL1355135,COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cncnc32)c1,4.8,43,0.5
CHEMBL1357909,COc1cccc(N=c2nc3c(c[nH]2)nc(CCc2ccccc2)c(=O)n3C)c1,6,2,0.5
CHEMBL1369940,CCCC[C@@H]1CC1C(NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1,5.5,1,0.5
CHEMBL1396949,CCC=CC(CCC)C(NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1,5.5,1,0.5
CHEMBL1415957,COc1ccc(Oc2ncc3nc(C)c(=O)n(Cc4cccs4)c3n2)cc1,4.4,25,0.5
CHEMBL1434801,O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1,5,63,0.5
CHEMBL1436323,O=C(c1csnn1)N1CCC2(CC1)CN(c1ccncc1)C2,5.6,1,0.5
CHEMBL1442087,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1,5.5,1,0.5
CHEMBL1451315,CCCC[C@@H]1CC1C(NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1,6.1,1,0.5
CHEMBL1452049,O=C(c1cnccn1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.9,4,0.5
CHEMBL1455462,COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1,4.9,2,0.5
CHEMBL1474503,O=C(c1cnccn1)N1CCC2(CC1)CN(c1ccncc1)C2,4.6,1,0.5
CHEMBL1516179,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[C@H]1N,4.9,1,0.5
CHEMBL1525388,CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)C(C)C)NC(=O)C1CCCC[C@H]1N,4.4,2,0.5
CHEMBL1531070,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,5.1,1,0.5
CHEMBL1552133,NCCC[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.8,5,0.5
CHEMBL1554547,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CNCC[C@H]1N,4.4,1,0.5
CHEMBL1554851,CCC=CC(CCC)C(NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1,5.6,1,0.5
CHEMBL1555369,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC)cc1,5.5,1,0.5
CHEMBL1559279,O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,6.1,37,0.5
CHEMBL1590968,O=C(c1csnn1)N1CCC2(CC1)CN(Cc1ccncc1)C2,5,1,0.5
CHEMBL1591219,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[C@H]1N)C(C)C,4.4,1,0.5
CHEMBL1593918,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CNCC[C@H]1N)C(C)C,4.4,1,0.5
CHEMBL251230,CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1,6.5,1,0.5
CHEMBL254609,CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl,5.9,1,0.5
CHEMBL268609,CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1,6.3,1,0.5
CHEMBL428768,CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl,6.6,1,0.5
CHEMBL1316760,COc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccs3)c2n1,4.6,32,0.49
CHEMBL1452850,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.7,30,0.49
CHEMBL1514416,COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C4CC4)c3n2)cc1,5.7,34,0.49
CHEMBL1531294,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,47,0.49
CHEMBL1533537,O=C(c1ccco1)N1CCC2(CCCN(c3ccccn3)C2)CC1,4.9,8,0.49
CHEMBL1395997,O=C(c1ccncc1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,6.4,5,0.48
CHEMBL1488179,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,4.9,5,0.48
CHEMBL1524001,O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1,5,5,0.48
CHEMBL1565724,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,27,0.48
CHEMBL1592557,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Oc3cccc(Cl)c3)nc21,6.2,32,0.48
CHEMBL1354287,O=c1c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1,6.6,39,0.47
CHEMBL1395620,COc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1,5.5,34,0.47
CHEMBL1411201,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1,4.7,39,0.47
CHEMBL1518338,O=c1c(-c2ccc(F)cc2)nc2cncnc2n1Cc1ccc(F)cc1,5.5,27,0.47
CHEMBL1527209,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.6,30,0.47
CHEMBL1594058,N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21,4.8,19,0.47
CHEMBL1315382,COc1ccc(-c2nc3cnc(Oc4ccccc4)nc3n(Cc3cccs3)c2=O)cc1,5.9,20,0.46
CHEMBL1357520,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OCc4ccccc4)nc32)c1,6.2,5,0.46
CHEMBL1439631,O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1Cl,5.5,32,0.46
CHEMBL1591757,COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(C)c3n2)cc1,5.5,19,0.46
CHEMBL1334959,COc1ccccc1CCn1c(=O)c(-c2cccc(Cl)c2)nc2cncnc21,6,44,0.45
CHEMBL1356256,COc1ccc(-n2c(=O)c(C)nc3c[nH]c(=Nc4ccccc4)nc32)cc1,4.7,2,0.45
CHEMBL1399481,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,2,0.45
CHEMBL1436521,COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(OC)nc32)c1,5.5,40,0.45
CHEMBL1448839,COCCn1c(=O)c(C)nc2cncnc21,4.5,21,0.45
CHEMBL1457544,COc1ccc(-n2c(=O)c(C)nc3c[nH]c(=Nc4cccc(OC)c4)nc32)cc1,4.4,2,0.45
CHEMBL1603371,COc1ccc(Oc2ncc3nc(-c4ccccc4)c(=O)n(Cc4cccs4)c3n2)cc1,5.7,37,0.45
CHEMBL1607885,COc1ccc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)nc3ccccc23)c(OC)c1,6.3,6,0.45
CHEMBL1317056,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,42,0.44
CHEMBL1317498,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(N3CCNCC3)nc21,4.8,46,0.44
CHEMBL1404703,O=c1c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1,5.1,25,0.44
CHEMBL1554170,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,36,0.44
CHEMBL1336787,COc1cccc(Cn2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)c1,5,40,0.43
CHEMBL1398137,O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,4.8,45,0.43
CHEMBL1440157,COc1ccccc1CN=c1[nH]cncc1-c1ccc2c(c1)OCO2,6.4,3,0.43
CHEMBL1476043,COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C4CC4)c3n2)cc1,5.5,20,0.43
CHEMBL1486808,Cn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21,5.1,9,0.43
CHEMBL1515526,N#CCCn1c(=O)c(-c2cccs2)nc2cnc(OCc3ccccc3)nc21,5.8,12,0.43
CHEMBL1527132,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,5,32,0.43
CHEMBL1569592,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,3,0.43
CHEMBL566899,COc1cccc(-c2ccc3[nH]cnc(=NCc4cccnc4)c3c2)c1,5.8,4,0.43
CHEMBL1331004,COC(=O)Cn1c(C(=O)N(C)C)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]21,4.7,33,0.42
CHEMBL1437414,CC(C(=O)NCc1ccccc1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,5.1,12,0.42
CHEMBL1441981,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,29,0.42
CHEMBL1442987,CC(C(=O)NCc1ccccc1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5,12,0.42
CHEMBL1472880,COc1ncc2nc(CCc3ccccc3)c(=O)n(CCc3ccccc3)c2n1,5.7,48,0.42
CHEMBL1479817,COc1cccc(Cn2c(=O)c(-c3cccc(F)c3)nc3cncnc32)c1,5.3,39,0.42
CHEMBL1516342,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,27,0.42
CHEMBL1520727,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5cc(F)ccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,8,0.42
CHEMBL1533232,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5cc(F)ccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,8,0.42
CHEMBL1551749,COCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21,4.8,13,0.42
CHEMBL1554569,O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccccc1Cl,4.8,36,0.42
CHEMBL1555368,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,26,0.42
CHEMBL565856,Cc1cccc(CN=c2[nH]cnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,6.5,5,0.42
CHEMBL1328979,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,7,0.41
CHEMBL1355431,O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1,5.5,14,0.41
CHEMBL1373610,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,7,0.41
CHEMBL1523959,N#CCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc21,5.2,14,0.41
CHEMBL1558384,Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(C2CC2)c1=O,4.9,32,0.41
CHEMBL1593001,O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccccc1,4.8,39,0.41
CHEMBL1328910,CC(C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,5.6,1,0.4
CHEMBL1330272,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1,5.3,3,0.4
CHEMBL1331634,CC(C(=O)NCCc1c[nH]c2ccccc12)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,6.2,1,0.4
CHEMBL1354841,O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,4.7,1,0.4
CHEMBL1361839,N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4ccco4)CC3)C2)cc1,4.8,7,0.4
CHEMBL1374913,O=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,4.5,1,0.4
CHEMBL1396559,O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1,5,1,0.4
CHEMBL1396615,O=C(c1csnn1)N1CCC2(CCCN(c3ccncc3)C2)CC1,4.4,8,0.4
CHEMBL1433725,CN1CCN(c2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(C[C@H]4CCCO4)c3n2)CC1,5.5,1,0.4
CHEMBL1435647,COC(=O)C1(CC(C)C)C=C2C(C)C(=O)C(c3ccccc3)C2C=N1,5,2,0.4
CHEMBL1437776,O=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1,4.4,1,0.4
CHEMBL1439893,COc1ccc(CN=c2[nH]c(-c3ccc(N(C)C)cc3)nc3ccccc23)c(OC)c1,5.8,10,0.4
CHEMBL1440487,COc1ccccc1CN=c1cc[nH]c(-c2ccoc2)n1,5.9,1,0.4
CHEMBL1486734,Cc1ccccc1-c1ccc2[nH]cnc(=NCc3cccnc3)c2c1,6.1,3,0.4
CHEMBL1496576,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1,5,1,0.4
CHEMBL1516005,COc1ccccc1CN=c1cc[nH]c(-c2c(C)noc2C)n1,6.3,1,0.4
CHEMBL1533335,COc1ccc(CN=c2cc[nH]c(-c3ccoc3)n2)c(OC)c1,6,1,0.4
CHEMBL1551295,CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1,5.5,9,0.4
CHEMBL1553173,COc1ccc(CN=c2cc[nH]c(-c3c(C)noc3C)n2)c(OC)c1,6,1,0.4
CHEMBL1557564,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccnc1)c1ccc(Cl)cc1,4.9,3,0.4
CHEMBL1574196,Cn1c(=O)c(CCc2ccccc2)nc2c[nH]c(=Nc3ccccc3)nc21,5,2,0.4
CHEMBL1593068,N#CCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.2,32,0.4
CHEMBL1595576,Cc1ccccc1-c1ccc2[nH]cnc(=NCc3cccs3)c2c1,5.9,3,0.4
CHEMBL1605426,COC(=O)C1(CC(C)C)C=C2C(C)C(=O)C(C(C)C)C2C=N1,4.9,2,0.4
CHEMBL1405909,COc1ncc2nc(-c3ccccc3)c(=O)n(C3CC3)c2n1,4.6,33,0.39
CHEMBL1437007,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCNCC4)nc32)c1,4.9,62,0.39
CHEMBL1484944,COc1cccc(N=c2nc3c(c[nH]2)ncc(=O)n3C[C@H]2CCCO2)c1,4.7,7,0.39
CHEMBL1513241,N#Cc1cccc(-c2nc3cnc(N4CCNCC4)nc3n(C3CC3)c2=O)c1,6.2,10,0.39
CHEMBL1326100,Cc1nc2cnc(N(C)C)nc2n(C2CC2)c1=O,4.8,23,0.38
CHEMBL1354941,O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1,4.9,39,0.38
CHEMBL1394638,Cc1nc2cnc(Oc3ccccc3)nc2n(-c2ccccc2)c1=O,4.6,4,0.38
CHEMBL1437176,CCN=c1nc2c(c[nH]1)nc(-c1cccs1)c(=O)n2Cc1cccs1,4.4,4,0.38
CHEMBL1555156,COc1cccc(Cn2c(=O)c(C)nc3cnc(N(C)C)nc32)c1,4.9,24,0.38
CHEMBL1590191,CN(C)c1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1,5.1,6,0.38
CHEMBL1316775,CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(C)c3n2)CC1,4.4,3,0.37
CHEMBL1371944,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,16,0.37
CHEMBL1404882,O=C(c1ccncc1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,5.5,4,0.37
CHEMBL1405001,COc1ccc(C(=O)N2CCC3(CCCN(c4ccc(-c5ccccc5)cc4)C3)CC2)cc1,5.4,4,0.37
CHEMBL1436272,N#Cc1cccc(-c2ccc3[nH]cnc(=NCc4ccccc4)c3c2)c1,6.2,3,0.37
CHEMBL1454049,COc1ccc(CN=c2[nH]c(-c3cccnc3)nc3ccccc23)c(OC)c1,6.3,7,0.37
CHEMBL1483625,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.8,4,0.37
CHEMBL1512802,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ncccn3)C2)CC1,4.8,9,0.37
CHEMBL1515858,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1,4.8,9,0.37
CHEMBL1554983,O=c1c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,5,35,0.37
CHEMBL1593601,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.6,29,0.37
CHEMBL1598717,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,14,0.37
CHEMBL1603446,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1,5.8,4,0.37
CHEMBL1317451,COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3cccc(OC)c3)c2=O)cc1,4.6,37,0.36
CHEMBL1355262,Cn1cccc1C(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,5.4,5,0.36
CHEMBL1396203,COc1ccccc1CN=c1[nH]c(-c2ccc(N(C)C)cc2)nc2ccccc12,6.1,10,0.36
CHEMBL1405464,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cncnc32)c1,5.6,64,0.36
CHEMBL1435886,Cc1nc2cnc(N3CCOCC3)nc2n(Cc2ccc(F)cc2)c1=O,4.5,21,0.36
CHEMBL1457317,COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(OC)nc32)c1,4.7,14,0.36
CHEMBL1494408,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,28,0.36
CHEMBL1515417,O=c1c(-c2cccs2)nc2cncnc2n1Cc1ccccc1,5.9,39,0.36
CHEMBL1568080,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,14,0.36
CHEMBL1572988,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.4,27,0.36
CHEMBL1315794,N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.1,36,0.35
CHEMBL1316979,COc1ccccc1CN=c1[nH]c(-c2ccc3c(c2)OCO3)nc2ccccc12,5.9,6,0.35
CHEMBL1368566,Cc1nc2cncnc2n(Cc2ccc(F)cc2)c1=O,4.6,54,0.35
CHEMBL1403488,O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,4.9,47,0.35
CHEMBL1415180,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,37,0.35
CHEMBL1437447,O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1,5.7,22,0.35
CHEMBL1442106,COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1,4.5,2,0.35
CHEMBL1451097,CCCC1(C(=O)OC)C=C2C(C)C(=O)C(C(C)C)C2C=N1,4.7,2,0.35
CHEMBL1488845,CCCC1(C(=O)OC)C=C2C(C)C(=O)C(c3ccccc3)C2C=N1,5.3,2,0.35
CHEMBL1515449,COc1cccc(-c2c[nH]cnc2=NCCc2c[nH]cn2)c1,6.6,2,0.35
CHEMBL1552161,O=c1c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,5.2,11,0.35
CHEMBL1333445,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1,5.7,20,0.34
CHEMBL1396049,NCCC[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.4,8,0.34
CHEMBL1397892,CC(C)[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.6,5,0.34
CHEMBL1404317,COc1cccc(Cn2c(=O)c(-c3cccc(C#N)c3)nc3cnc(OC)nc32)c1,4.9,9,0.34
CHEMBL1440650,COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N(C)C)nc32)c1,4.8,22,0.34
CHEMBL1457043,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CNCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.6,5,0.34
CHEMBL1482575,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1,4.6,34,0.34
CHEMBL1554982,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,33,0.34
CHEMBL1596743,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1,4.9,9,0.34
CHEMBL1603394,O=c1cnc2cnc(Oc3ccccc3)nc2n1CCc1ccccc1,5.5,9,0.34
CHEMBL1358313,N#CCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3ccccc3)nc21,4.4,16,0.33
CHEMBL1433898,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.4,45,0.33
CHEMBL1435028,CCN=c1nc2c(c[nH]1)nc(-c1cn(C)c3ccccc13)c(=O)n2Cc1cccs1,4.7,4,0.33
CHEMBL1442992,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N)C(C)C,4.5,7,0.33
CHEMBL1476139,CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1,4.7,17,0.33
CHEMBL1479088,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,4,0.33
CHEMBL1489493,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccccc1C(F)(F)F,5.9,4,0.33
CHEMBL1516787,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,38,0.33
CHEMBL1592452,CCN=c1nc2c(c[nH]1)nc(-c1cn(C)c3ccccc13)c(=O)n2Cc1ccc(F)cc1,4.6,6,0.33
CHEMBL1331410,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,5,27,0.32
CHEMBL1398543,COc1ccc(Oc2ncc3nc(-c4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.6,33,0.32
CHEMBL1411049,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,39,0.32
CHEMBL1445578,COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(CCC#N)c3n2)cc1,5.1,22,0.32
CHEMBL1446324,COCCn1c(=O)c(C)nc2cnc(Oc3ccc(OC)cc3)nc21,4.7,35,0.32
CHEMBL1448288,COC(=O)Cn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccccc3)(C(=O)OC)[C@@H]21,6.1,13,0.32
CHEMBL1513740,COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)cc1,5.1,4,0.32
CHEMBL1590397,COc1ccccc1CCn1c(=O)c(-c2cccc(F)c2)nc2cncnc21,5.6,43,0.32
CHEMBL1318222,CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3ccc(F)cc3)c2n1,5.4,9,0.31
CHEMBL1366296,Cn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc21,4.6,41,0.31
CHEMBL1367222,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,41,0.31
CHEMBL1490528,COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21,5.7,67,0.31
CHEMBL1513347,O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1,4.9,46,0.31
CHEMBL1556431,COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCNCC4)nc32)c1,4.9,49,0.31
CHEMBL1566428,COc1ccc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C3CC3)c2=O)cc1,6.3,23,0.31
CHEMBL1593269,COc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4cccc(Cl)c4)nc32)c1,5.3,18,0.31
CHEMBL1329227,COC(=O)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.4,5,0.3
CHEMBL1338095,COc1ccc(CN=c2[nH]c(-c3ccc(C(=O)N(C)C)cc3)nc3ccccc23)c(OC)c1,6,2,0.3
CHEMBL1355139,c1ccc(CN=c2[nH]cncc2-c2ccc3c(c2)OCO3)cc1,6.5,2,0.3
CHEMBL1358092,Cc1cccc(CN=c2[nH]c(-c3c(C)noc3C)nc3ccccc23)c1,6.2,2,0.3
CHEMBL1359291,Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2,4.5,2,0.3
CHEMBL1361977,COc1ccc(C(=O)N2CCC3(CCN(Cc4nccs4)CC3)CC2)cc1,4.6,1,0.3
CHEMBL1372627,O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3nccs3)CC2)CC1,4.8,1,0.3
CHEMBL1373773,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,3,0.3
CHEMBL1395974,CCN=c1nc2c(c[nH]1)nc(-c1ccccc1)c(=O)n2CCOC,4.7,1,0.3
CHEMBL1396010,Cn1cccc1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1,4.6,13,0.3
CHEMBL1396374,Cc1cccc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)nc3ccccc23)c1,6,2,0.3
CHEMBL1397192,O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,5.8,28,0.3
CHEMBL1400050,COC(=O)C1C[C@@H]1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,5,1,0.3
CHEMBL1403280,COc1ccc(C(=O)N2CCC3(CCN(Cc4ccncc4)CC3)CC2)cc1,5.1,3,0.3
CHEMBL1406410,Cn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21,4.7,26,0.3
CHEMBL1407670,O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1Cc1ccccc1,4.8,39,0.3
CHEMBL1409830,c1ccc(CN=c2[nH]cncc2-c2ccoc2)cc1,6.3,2,0.3
CHEMBL1437906,Cn1cccc1C(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,5,2,0.3
CHEMBL1438566,COC(=O)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.4,5,0.3
CHEMBL1452894,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,13,0.3
CHEMBL1473705,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CO)NC(=O)C1CCCC[C@H]1N)C(C)C,4.7,3,0.3
CHEMBL1484196,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,30,0.3
CHEMBL1490024,O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1Cc1ccccc1Cl,5.3,32,0.3
CHEMBL1524851,O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1,4.7,24,0.3
CHEMBL1531602,COC(=O)C1C[C@H]1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,4.9,1,0.3
CHEMBL1551090,O=C(c1csnn1)N1CCC2(CCCN(c3ccccn3)C2)CC1,4.7,11,0.3
CHEMBL1552150,CCN=c1nc2c(c[nH]1)nc(C)c(=O)n2Cc1cccc(OC)c1,4.8,2,0.3
CHEMBL1552362,Cn1cccc1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1,4.5,7,0.3
CHEMBL1566780,COc1ccccc1CN=c1[nH]cncc1-c1ccoc1,5.8,2,0.3
CHEMBL1590270,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2CCC#N,5.2,2,0.3
CHEMBL1591198,NCCC[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.4,5,0.3
CHEMBL1611646,CCN=c1nc2c(c[nH]1)nc(-c1cccs1)c(=O)n2CCC#N,4.9,2,0.3
CHEMBL1613347,COc1cccc(N=c2nc3c(c[nH]2)nc(CCc2ccccc2)c(=O)n3C[C@H]2CCCO2)c1,4.9,5,0.3
CHEMBL475376,COc1ccccc1CN=c1[nH]cnc2ccc(-c3ccccc3OC)cc12,6.1,3,0.3
CHEMBL490706,COc1ccc(CN=c2[nH]cnc3ccc(-c4ccccc4OC)cc23)c(OC)c1,6.4,3,0.3
CHEMBL1357381,N#Cc1cccc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C3CC3)c2=O)c1,5.5,14,0.29
CHEMBL1560502,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5,11,0.29
CHEMBL1400043,COc1ncc2ncc(=O)n(CCc3ccccc3)c2n1,4.8,15,0.28
CHEMBL1434022,Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(CCC#N)c2=O)c2ccccc21,4.7,26,0.28
CHEMBL1445094,COc1ccc(CN=c2[nH]c(-c3ccoc3)nc3ccccc23)c(OC)c1,5.9,5,0.28
CHEMBL1474890,COc1ccccc1CN=c1[nH]c(-c2ccoc2)nc2ccccc12,6.1,5,0.28
CHEMBL1574106,O=c1c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1,5.2,19,0.28
CHEMBL1591384,COCCn1c(=O)c(C)nc2cnc(N3CCN(C)CC3)nc21,4.8,6,0.28
CHEMBL1373723,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1,6,24,0.27
CHEMBL1406879,COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)c1,4.6,18,0.27
CHEMBL1433805,O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccc(F)cc1,5.3,40,0.27
CHEMBL1473760,CN=c1[nH]c(-c2cccnc2)nc2ccccc12,6.1,4,0.27
CHEMBL1477140,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21,6,51,0.27
CHEMBL1488918,N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.5,30,0.27
CHEMBL1514307,COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc21,6.2,51,0.27
CHEMBL1520681,CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1,4.9,13,0.27
CHEMBL1531299,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccccc1C(F)(F)F,5.3,3,0.27
CHEMBL1574115,N#CCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,4.9,23,0.27
CHEMBL1314185,Cn1c(=O)c(-c2ccccc2)nc2cnc(OCc3ccccc3)nc21,4.7,9,0.26
CHEMBL1315091,COCCn1c(=O)c(-c2cccs2)nc2cncnc21,4.7,29,0.26
CHEMBL1317172,O=c1cnc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,4.7,28,0.26
CHEMBL1358631,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,24,0.26
CHEMBL1395219,COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)c1,4.8,35,0.26
CHEMBL1409320,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,9,0.26
CHEMBL1493496,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,38,0.26
CHEMBL1496243,Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21,4.4,27,0.26
CHEMBL1592556,COc1ccccc1CCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cncnc21,6.5,16,0.26
CHEMBL1593128,COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.8,14,0.26
CHEMBL1325766,COc1ccccc1CCn1c(=O)c(-c2cccs2)nc2cncnc21,5.6,43,0.25
CHEMBL1327059,N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21,5,30,0.25
CHEMBL1333061,O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1,4.8,10,0.25
CHEMBL1354154,N#Cc1cccc(-c2c[nH]cnc2=NCCc2c[nH]cn2)c1,6.1,2,0.25
CHEMBL1356485,COc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1,4.7,40,0.25
CHEMBL1395567,COc1ccc(Oc2ncc3nc(-c4cccc(C#N)c4)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1,5.6,6,0.25
CHEMBL1434833,COc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1,5.9,33,0.25
CHEMBL1443323,CN=c1[nH]c(-c2c(C)noc2C)nc2ccccc12,6.3,4,0.25
CHEMBL1450026,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21,4.7,53,0.25
CHEMBL1488477,O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1-c1ccccc1,4.8,33,0.25
CHEMBL1494592,Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(CCC#N)c1=O,4.4,11,0.25
CHEMBL1519649,N#Cc1cccc(-c2nc(=Nc3ccncc3)c3ccccc3[nH]2)c1,5.8,2,0.25
CHEMBL1533214,CCN=c1nc2c(c[nH]1)nc(-c1cn(C)c3ccccc13)c(=O)n2-c1ccccc1,4.9,4,0.25
CHEMBL1552181,O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,5.4,31,0.25
CHEMBL1552294,Cn1c(=O)c(CCc2ccccc2)nc2cncnc21,4.5,23,0.25
CHEMBL1563032,COc1ccc(-c2nc3cnc(Oc4ccccc4)nc3n(C3CC3)c2=O)cc1,5.5,24,0.25
CHEMBL1573063,N#Cc1cccc(-c2c[nH]cnc2=NCc2cccs2)c1,6.3,2,0.25
CHEMBL1592549,COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(C[C@H]3CCCO3)c2=O)cc1,5.3,2,0.25
CHEMBL1594020,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2CCOC,5,2,0.25
CHEMBL259140,N#Cc1cccc(-c2nc(=NCc3cccnc3)c3ccccc3[nH]2)c1,5.8,2,0.25
CHEMBL1357956,Cc1nc2cncnc2n(Cc2ccccc2Cl)c1=O,4.9,29,0.24
CHEMBL1395297,O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,5,38,0.24
CHEMBL1398528,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(CCC#N)c2n1,4.8,21,0.24
CHEMBL1411094,N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc21,5.1,35,0.24
CHEMBL1434783,Cc1nc2cnc(Oc3ccccc3)nc2n(C2CC2)c1=O,4.9,23,0.24
CHEMBL1455438,COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N4CCNCC4)nc32)c1,5.1,52,0.24
CHEMBL1474483,O=C(c1csnn1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,5.2,5,0.24
CHEMBL1490386,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCF)c3C[C@H]2CN1C(=O)c1ccccc1,5,28,0.24
CHEMBL1523594,COc1cccc(N=c2nc3c(c[nH]2)ncc(=O)n3C2CC2)c1,4.8,9,0.24
CHEMBL1534573,COCCn1c(=O)c(-c2ccccc2)nc2cnc(OC)nc21,4.7,57,0.24
CHEMBL1317769,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(OCc3ccccc3)nc21,5,20,0.23
CHEMBL1320206,O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1,5.1,19,0.23
CHEMBL1320722,O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1C1CC1,5,20,0.23
CHEMBL1332471,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,26,0.23
CHEMBL1396792,COc1ccccc1CCn1c(=O)c(CCc2ccccc2)nc2cncnc21,5.1,50,0.23
CHEMBL1474169,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N3CCOCC3)nc21,4.9,7,0.23
CHEMBL1489708,COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1,4.7,13,0.23
CHEMBL1496315,COc1ccccc1CCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cncnc21,5.8,45,0.23
CHEMBL1591190,CN(C)c1ncc2ncc(=O)n(Cc3cccs3)c2n1,4.4,18,0.23
CHEMBL1316317,O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccc(F)cc1,5,39,0.22
CHEMBL1408528,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1cccnc1)c1ccccc1,5,5,0.22
CHEMBL1435254,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1,5.7,17,0.22
CHEMBL1437138,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1cccnc1)c1ccccc1,5.7,5,0.22
CHEMBL1450903,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,21,0.22
CHEMBL1591380,O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,4.8,25,0.22
CHEMBL1324667,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,38,0.21
CHEMBL1332964,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,42,0.21
CHEMBL1335414,O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1,6.1,25,0.21
CHEMBL1354426,O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,5.6,15,0.21
CHEMBL1358122,O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccccc1Cl,5.4,33,0.21
CHEMBL1358807,COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)c1,5.2,55,0.21
CHEMBL1364243,COc1ccc(CNC(=O)C(C)[C@@H]2C[C@@]2(C)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1OC,5,7,0.21
CHEMBL1365367,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,5.7,24,0.21
CHEMBL1372330,Cc1ccc(CNC(=O)C(C)[C@H]2C[C@]2(C)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)o1,5,12,0.21
CHEMBL1395899,COc1cccc(Cn2c(=O)cnc3cnc(Oc4cccc(Cl)c4)nc32)c1,5.4,17,0.21
CHEMBL1408176,COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)c1,5.5,48,0.21
CHEMBL1433704,COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21,5,67,0.21
CHEMBL1435080,O=C(c1csnn1)N1CCC2(CCCN(c3ccccc3)C2)CC1,5.1,15,0.21
CHEMBL1437226,COc1ccccc1CN=c1[nH]c(-c2cccnc2)nc2ccccc12,6,7,0.21
CHEMBL1475657,N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.1,28,0.21
CHEMBL1512270,Cc1ccc(CNC(=O)C(C)[C@@H]2C[C@@]2(C)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)o1,4.9,12,0.21
CHEMBL1551633,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3ccccc3)nc21,5.1,37,0.21
CHEMBL1553804,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(OC)nc21,4.4,38,0.21
CHEMBL1555567,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1,5,34,0.21
CHEMBL1561452,CC(C)[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.5,8,0.21
CHEMBL1562018,COc1ccc(CNC(=O)C(C)[C@H]2C[C@]2(C)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)cc1OC,5.5,7,0.21
CHEMBL1569972,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,28,0.21
CHEMBL1590975,O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccccc1,5.5,27,0.21
CHEMBL1603781,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccs1)c1ccc(Cl)cc1,6,7,0.21
CHEMBL1316647,COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)cc1,4.7,1,0.2
CHEMBL1318544,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,1,0.2
CHEMBL1324334,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1,5.4,3,0.2
CHEMBL1332591,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,6.6,8,0.2
CHEMBL1354563,N#Cc1cccc(-c2ccc3[nH]cnc(=NCc4cccs4)c3c2)c1,6.3,5,0.2
CHEMBL1356085,O=c1c(CCc2ccccc2)nc2c[nH]c(=Nc3ccccc3)nc2n1C[C@H]1CCCO1,4.7,3,0.2
CHEMBL1357167,COc1cccc(-c2ccc3[nH]cnc(=Nc4ccccc4)c3c2)c1,6.2,1,0.2
CHEMBL1357982,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,1,0.2
CHEMBL1365983,N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21,5,38,0.2
CHEMBL1378237,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5,22,0.2
CHEMBL1413489,COC(=O)C1C[C@@H]1[C@H](NC(=O)c1cc(C)on1)c1ccccc1,4.5,2,0.2
CHEMBL1441415,CN(C)c1ccc(-c2nc(=Nc3ccncc3)c3ccccc3[nH]2)cc1,6.1,2,0.2
CHEMBL1474468,CN(C)c1ccc(-c2nc(=NCc3cccnc3)c3ccccc3[nH]2)cc1,5.8,2,0.2
CHEMBL1476266,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,30,0.2
CHEMBL1490383,CC(C)[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.4,5,0.2
CHEMBL1512023,CCN=c1nc2c(c[nH]1)ncc(=O)n2Cc1ccc(F)cc1,4.7,11,0.2
CHEMBL1514149,COc1ccccc1-c1ccc2[nH]cnc(=Nc3ccccc3)c2c1,5.9,1,0.2
CHEMBL1515698,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1,5.8,3,0.2
CHEMBL1533895,NCCC[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CCCC[C@H]1N,4.4,6,0.2
CHEMBL1569400,O=c1cnc2cncnc2n1Cc1ccccc1,4.5,24,0.2
CHEMBL1591272,O=c1c(-c2cccs2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,5.5,35,0.2
CHEMBL1596241,COc1ccccc1CN=c1[nH]cnc2ccc(-c3c(C)noc3C)cc12,6.1,2,0.2
CHEMBL1598868,COC(=O)C1C[C@H]1[C@@H](NC(=O)c1cc(C)on1)c1ccccc1,4.4,2,0.2
CHEMBL1612410,COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCOCC4)nc32)cc1,4.5,1,0.2
CHEMBL491953,COc1ccccc1-c1ccc2[nH]cnc(=NCc3ccccc3)c2c1,6.3,1,0.2
CHEMBL567332,Cc1cccc(CN=c2[nH]cnc3ccc(-c4c(C)noc4C)cc23)c1,6,2,0.2
CHEMBL1355672,CN(C)c1ncc2ncc(=O)n(CCC#N)c2n1,5,7,0.19
CHEMBL1356844,COc1ccc(Oc2ncc3ncc(=O)n(C4CC4)c3n2)cc1,4.6,19,0.19
CHEMBL1357338,COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(OCc3ccccc3)nc21,4.7,14,0.19
CHEMBL1368965,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,47,0.19
CHEMBL1369822,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,26,0.19
CHEMBL1398540,O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1Cl,5.1,32,0.19
CHEMBL1409996,COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]21,5,35,0.19
CHEMBL1435912,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(OC)nc21,4.7,61,0.19
CHEMBL1437650,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccccc3)nc21,5.1,32,0.19
CHEMBL1473554,Cn1c(=O)c(-c2cccc(Cl)c2)nc2cncnc21,4.4,11,0.19
CHEMBL1513030,Cn1c(=O)c(-c2cccs2)nc2cncnc21,4.4,24,0.19
CHEMBL1603186,O=C(c1ccncc1)N1CCC2(CCCN(c3ccccc3)C2)CC1,5.7,24,0.19
CHEMBL1609142,COc1ccc(Oc2ncc3nc(-c4ccccc4)c(=O)n(CCC#N)c3n2)cc1,5,39,0.19
CHEMBL1314516,COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)cc1,5.5,23,0.18
CHEMBL1316808,O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1,5.8,12,0.18
CHEMBL1332759,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,23,0.18
CHEMBL1358033,COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)c1,5.3,57,0.18
CHEMBL1363142,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.9,25,0.18
CHEMBL1397177,CN(C)c1ncc2ncc(=O)n(Cc3ccc(F)cc3)c2n1,5,26,0.18
CHEMBL1408259,COC(=O)C1C[C@H]1[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1,4.6,5,0.18
CHEMBL1433785,COc1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1,4.8,41,0.18
CHEMBL1437263,COCCn1c(=O)c(CCc2ccccc2)nc2c[nH]c(=Nc3cccc(OC)c3)nc21,5.9,4,0.18
CHEMBL1448726,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1,4.7,46,0.18
CHEMBL1451788,COC(=O)Cn1c(C(=O)N(C)C)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@H]21,4.9,17,0.18
CHEMBL1475381,O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1,4.8,10,0.18
CHEMBL1491749,COC(=O)C1C[C@@H]1[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1,4.4,5,0.18
CHEMBL1512693,CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C3CC3)c2n1,5.5,11,0.18
CHEMBL1512744,COc1cccc(Cn2c(=O)c(C)nc3c[nH]c(=Nc4ccccc4)nc32)c1,5.7,5,0.18
CHEMBL1521391,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,5.7,44,0.18
CHEMBL1553941,O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,4.6,17,0.18
CHEMBL1590259,COc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1,4.6,12,0.18
CHEMBL1592470,COCCn1c(=O)c(-c2ccccc2)nc2cnc(N(C)C)nc21,4.7,34,0.18
CHEMBL565654,COc1cccc(-c2ccc3[nH]cnc(=NCc4cccs4)c3c2)c1,6.2,5,0.18
CHEMBL1314906,Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)c2ccccc21,5,26,0.17
CHEMBL1316285,CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(CCc4ccccc4)c3n2)CC1,5.5,3,0.17
CHEMBL1326341,COc1cccc(N=c2nc3c(c[nH]2)nc(C)c(=O)n3C[C@H]2CCCO2)c1,4.4,9,0.17
CHEMBL1336932,COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C[C@H]3CCCO3)c2n1,4.6,3,0.17
CHEMBL1362068,COc1ccc(Oc2ncc3nc(-c4cccc(C#N)c4)c(=O)n(CCC#N)c3n2)cc1,4.6,20,0.17
CHEMBL1365616,COc1cccc(Cn2c(=O)c(C)nc3cnc(OC)nc32)c1,4.6,24,0.17
CHEMBL1394137,CN(C)c1ncc2ncc(=O)n(CCc3ccccc3)c2n1,5.2,27,0.17
CHEMBL1403626,CCCC[C@@H]1C[C@H]1C(NC(=O)c1cccs1)c1ccccc1C(F)(F)F,6,3,0.17
CHEMBL1413962,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,5,13,0.17
CHEMBL1443425,CN1CCN(c2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(C)c3n2)CC1,4.9,7,0.17
CHEMBL1454980,O=C(Nc1ccc2ccccc2c1)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5.1,3,0.17
CHEMBL1474695,COc1cccc(Cn2c(=O)c(C)nc3cnc(Oc4ccccc4)nc32)c1,5.1,11,0.17
CHEMBL1515246,COc1cccc(Cn2c(=O)cnc3c[nH]c(=Nc4cccc(OC)c4)nc32)c1,5.7,14,0.17
CHEMBL1530832,O=C(Nc1ccc2ccccc2c1)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5.5,3,0.17
CHEMBL1551962,COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)c1,5,34,0.17
CHEMBL1600620,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2-c1ccccc1,4.9,3,0.17
CHEMBL1318454,COCCn1c(=O)c(C)nc2cnc(Oc3cccc(Cl)c3)nc21,4.9,32,0.16
CHEMBL1332937,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,6.1,17,0.16
CHEMBL1356138,COc1ccc(Oc2ncc3ncc(=O)n(Cc4cccs4)c3n2)cc1,4.8,25,0.16
CHEMBL1356834,Cc1nc2cnc(Oc3ccccc3)nc2n(Cc2cccs2)c1=O,4.6,15,0.16
CHEMBL1363467,COc1cccc(Cn2c(=O)cnc3cnc(N4CCN(C)CC4)nc32)c1,4.6,5,0.16
CHEMBL1368942,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1,6,25,0.16
CHEMBL1370770,COCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccc(OC)cc3)nc21,5,63,0.16
CHEMBL1374849,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(C)n(C)n4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,29,0.16
CHEMBL1436644,O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1Cc1ccc(F)cc1,4.9,39,0.16
CHEMBL1447149,O=C(c1ccco1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,5.9,7,0.16
CHEMBL1476206,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(C)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,29,0.16
CHEMBL1479372,O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1ccc(F)cc1,4.8,11,0.16
CHEMBL1514458,CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C)c3n2)CC1,4.4,14,0.16
CHEMBL1517935,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc21,5.2,61,0.16
CHEMBL1551122,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CNCC4=O)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,9,0.16
CHEMBL1570285,COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(CCC#N)c3n2)cc1,5.4,34,0.16
CHEMBL1315833,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3ccc(OC)cc3)nc21,4.9,44,0.15
CHEMBL1317039,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.8,18,0.15
CHEMBL1318045,COc1ccccc1CN=c1[nH]c(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12,6,2,0.15
CHEMBL1318400,CC(C(=O)N[C@@H](CO)Cc1ccccc1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.9,8,0.15
CHEMBL1355881,CN=c1[nH]c(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12,6,2,0.15
CHEMBL1410635,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,13,0.15
CHEMBL1439882,COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccc(OC)cc3)nc21,5.3,49,0.15
CHEMBL1474875,Cn1cccc1C(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1,4.8,22,0.15
CHEMBL1527555,CC(C(=O)N[C@@H](CO)Cc1ccccc1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.8,8,0.15
CHEMBL1529330,COc1ccc(Oc2ncc3nc(C)c(=O)n(Cc4ccc(F)cc4)c3n2)cc1,4.7,22,0.15
CHEMBL1530982,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.6,25,0.15
CHEMBL1551548,Cn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21,4.8,41,0.15
CHEMBL1590123,N#Cc1ccccc1-c1ccc2[nH]cnc(=NCc3cccs3)c2c1,6,2,0.15
CHEMBL1591459,COc1ccccc1CCn1c(=O)c(-c2ccc(Cl)cc2)nc2cncnc21,5.4,31,0.15
CHEMBL1606292,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,29,0.15
CHEMBL1608125,COc1ccc(CN=c2[nH]c(-c3c(C)noc3C)nc3ccccc23)c(OC)c1,6,8,0.15
CHEMBL510009,N#Cc1ccccc1-c1ccc2[nH]cnc(=NCc3ccccc3)c2c1,6.2,2,0.15
CHEMBL516075,COc1cccc(-c2ccc3[nH]cnc(=NCc4ccccc4)c3c2)c1,6.4,4,0.15
CHEMBL1314371,COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(OC)nc32)c1,5.1,36,0.14
CHEMBL1321118,O=c1c(-c2ccccc2)nc2cncnc2n1-c1ccccc1,4.8,33,0.14
CHEMBL1328319,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1,4.5,29,0.14
CHEMBL1356497,O=c1c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1,5.5,11,0.14
CHEMBL1411438,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,28,0.14
CHEMBL1415465,COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)c1,4.9,53,0.14
CHEMBL1417789,COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)cc1,5.8,28,0.14
CHEMBL1435373,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,39,0.14
CHEMBL1481378,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,16,0.14
CHEMBL1592465,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(OC)nc21,4.5,35,0.14
CHEMBL1593547,COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21,5.4,54,0.14
CHEMBL1316055,COc1ccccc1CN=c1[nH]c(-c2cccc(C#N)c2)nc2ccccc12,6,6,0.13
CHEMBL1317802,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc21,4.9,65,0.13
CHEMBL1334652,COc1ccc(C(=O)N2CCC3(CCCN(Cc4ccncc4)C3)CC2)cc1,5.5,13,0.13
CHEMBL1354341,COc1ccc(-n2c(=O)cnc3cnc(N4CCNCC4)nc32)cc1,4.4,3,0.13
CHEMBL1356336,FC(F)(F)c1ccccc1-c1ccc2[nH]cnc(=NCc3cccnc3)c2c1,6,3,0.13
CHEMBL1357724,FC(F)(F)c1ccccc1-c1ccc2[nH]cnc(=NCc3cccs3)c2c1,6,3,0.13
CHEMBL1396989,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OCc3ccccc3)nc21,4.8,25,0.13
CHEMBL1398185,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1,5,4,0.13
CHEMBL1416476,COc1ccc(CN=c2[nH]c(-c3cccc(C#N)c3)nc3ccccc23)c(OC)c1,6,6,0.13
CHEMBL1437733,NCCC[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](CO)NC(=O)C1CCCC[C@H]1N,4.5,3,0.13
CHEMBL1442996,COc1ccc(Oc2ncc3ncc(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.7,21,0.13
CHEMBL1480293,O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1,4.8,20,0.13
CHEMBL1490139,O=c1c(-c2cccs2)nc2cncnc2n1-c1ccccc1,5,38,0.13
CHEMBL1514016,COCCn1c(=O)c(-c2ccccc2)nc2cnc(OCc3ccccc3)nc21,4.9,30,0.13
CHEMBL1526170,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,37,0.13
CHEMBL1532555,Cn1cccc1C(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.8,4,0.13
CHEMBL1534710,N#CCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21,5.1,38,0.13
CHEMBL1590974,COc1ccc(Oc2ncc3nc(-c4ccccc4)c(=O)n(C4CC4)c3n2)cc1,5.3,56,0.13
CHEMBL1595166,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(C)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,31,0.13
CHEMBL475375,COc1ccc(CN=c2[nH]cnc3ccc(-c4ccc(N(C)C)cc4)cc23)c(OC)c1,6.4,4,0.13
CHEMBL521970,COc1ccccc1CN=c1[nH]cnc2ccc(-c3ccc(N(C)C)cc3)cc12,6.2,4,0.13
CHEMBL1315690,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N3CCNCC3)nc21,5.4,34,0.12
CHEMBL1316337,COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)cc1,4.9,47,0.12
CHEMBL1325833,COc1ccc(Oc2ncc3ncc(=O)n(Cc4ccc(F)cc4)c3n2)cc1,4.6,18,0.12
CHEMBL1335889,COc1ccc(C(=O)N2CCC3(CCCN(c4ccncc4)C3)CC2)cc1,4.7,10,0.12
CHEMBL1358568,CC(C(=O)NCc1ccccn1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.6,12,0.12
CHEMBL1370480,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2C,4.9,5,0.12
CHEMBL1397079,O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1-c1ccccc1,5,35,0.12
CHEMBL1417025,O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1CCc1ccccc1,5.5,8,0.12
CHEMBL1436037,COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1,6,23,0.12
CHEMBL1453137,CC(C(=O)NCc1ccccn1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5,12,0.12
CHEMBL1479912,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccc(OC)cc3)nc21,4.9,52,0.12
CHEMBL1483712,CNC(=O)C(C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5,12,0.12
CHEMBL1494832,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cncnc21,4.5,19,0.12
CHEMBL1527466,CNC(=O)C(C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.6,12,0.12
CHEMBL1533932,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,13,0.12
CHEMBL1551477,COc1ccc(C(=O)N2CCC3(CCCN(c4cccc(-c5ccccc5)c4)C3)CC2)cc1,5.2,5,0.12
CHEMBL1595404,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,5,47,0.12
CHEMBL1315820,Cc1nc2cnc(N3CCOCC3)nc2n(CCc2ccccc2)c1=O,4.8,25,0.11
CHEMBL1317373,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.9,17,0.11
CHEMBL1318104,O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccccc1Cl,5.4,34,0.11
CHEMBL1358197,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5,30,0.11
CHEMBL1368892,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccc(Cl)cc1,5.6,7,0.11
CHEMBL1397860,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,47,0.11
CHEMBL1439839,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,4.7,48,0.11
CHEMBL1515401,COc1ncc2nc(-c3ccccc3)c(=O)n(CCc3ccccc3)c2n1,5.6,33,0.11
CHEMBL1564813,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,40,0.11
CHEMBL1565060,O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,5.3,50,0.11
CHEMBL1567251,O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1Cc1ccc(F)cc1,5.1,18,0.11
CHEMBL1595282,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1,4.5,16,0.11
CHEMBL1596246,Cn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21,4.9,27,0.11
CHEMBL1605356,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1,5,34,0.11
CHEMBL1605632,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,31,0.11
CHEMBL1314367,Clc1ccccc1-c1c[nH]cnc1=NCCc1c[nH]cn1,6,2,0.1
CHEMBL1319049,COCCNC(=O)C(C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.7,11,0.1
CHEMBL1324882,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,38,0.1
CHEMBL1330087,CC(C(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.6,7,0.1
CHEMBL1330692,COc1ccccc1CCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21,5.4,20,0.1
CHEMBL1355216,O=S(=O)(c1ccccc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,4.6,1,0.1
CHEMBL1357940,CS(=O)(=O)N1CCC2(CCN(c3ccccc3)CC2)CC1,4.4,1,0.1
CHEMBL1361406,O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1,4.8,22,0.1
CHEMBL1368887,COC(=O)C1C[C@@H]1[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1,5.3,1,0.1
CHEMBL1371710,CCC[C@@H]1C[C@@]1(CCC)C(NC(=O)c1cccs1)c1ccc(Cl)cc1,5.3,1,0.1
CHEMBL1374623,COCCNC(=O)C(C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.5,11,0.1
CHEMBL1394419,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CO)NC(=O)C1CCCC[C@H]1N,4.4,4,0.1
CHEMBL1394640,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)c1ccccc1)c1ccccc1,5.6,5,0.1
CHEMBL1396358,CCCC/C=C/C(NC(=O)c1ccco1)c1ccccc1,4.8,1,0.1
CHEMBL1417303,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1ccccc1)c1ccccc1,6.4,5,0.1
CHEMBL1433950,Cc1nc2cnc(N3CCNCC3)nc2n(CCc2ccccc2)c1=O,4.4,23,0.1
CHEMBL1434643,Cn1cccc1C(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1,4.6,9,0.1
CHEMBL1437747,CCN=c1nc2c(c[nH]1)nc(-c1cccs1)c(=O)n2-c1ccccc1,4.8,5,0.1
CHEMBL1454052,CCC[C@@H]1C[C@@]1(CCC)C(NC(=O)c1ccco1)c1ccc(Cl)cc1,4.8,1,0.1
CHEMBL1473420,COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Oc3ccc(OC)cc3)nc21,5,40,0.1
CHEMBL1474681,Clc1ccccc1-c1c[nH]cnc1=NCc1cccs1,6.1,2,0.1
CHEMBL1488947,CC(C(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5,7,0.1
CHEMBL1496744,O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccc(F)cc1,5.5,51,0.1
CHEMBL1512385,COc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1,4.9,22,0.1
CHEMBL1516054,COc1ccccc1CN=c1[nH]cnc2ccc(-c3ccc4c(c3)OCO4)cc12,6.4,5,0.1
CHEMBL1524305,CS(=O)(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,4.5,1,0.1
CHEMBL1551925,COc1ccc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C[C@H]3CCCO3)c2=O)cc1,5.3,11,0.1
CHEMBL1561137,COC(=O)C1C[C@H]1[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1,5.6,1,0.1
CHEMBL1566556,CCCC/C=C/C(NC(=O)c1ccccc1)c1ccccc1,5,1,0.1
CHEMBL1567101,O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccccc3)CC2)CC1,4.4,1,0.1
CHEMBL1591860,O=C(c1cnccn1)N1CCC2(CCCN(c3ccccc3)C2)CC1,4.4,14,0.1
CHEMBL1597410,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5,29,0.1
CHEMBL1601019,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1,4.9,11,0.1
CHEMBL475198,COc1ccccc1CN=c1[nH]cnc2ccc(-c3ccccc3C#N)cc12,6.2,5,0.1
CHEMBL1357157,COc1ccccc1CCn1c(=O)cnc2cncnc21,4.9,26,0.096
CHEMBL1442250,COc1cccc(Cn2c(=O)cnc3cnc(N(C)C)nc32)c1,4.9,25,0.096
CHEMBL1358560,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,29,0.093
CHEMBL1315521,COc1ccc(C(=O)N2CCC3(CCCN(Cc4ccc(C#N)cc4)C3)CC2)cc1,4.4,12,0.092
CHEMBL1408422,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.6,9,0.089
CHEMBL1448138,O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,5.4,54,0.089
CHEMBL1475924,O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1,4.9,19,0.089
CHEMBL1555118,O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1,5.1,66,0.089
CHEMBL1607133,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,9,0.089
CHEMBL1609528,Cc1nc2cnc(OCc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O,5,9,0.089
CHEMBL1476791,COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(OC)nc32)c1,4.9,42,0.088
CHEMBL1487111,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,15,0.087
CHEMBL1354864,COc1ccc(-n2c(=O)c(C)nc3cnc(Oc4cccc(Cl)c4)nc32)cc1,4.6,7,0.086
CHEMBL1447438,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(C[C@H](O)CO)c3C[C@H]2CN1C(=O)c1ccccc1,4.5,28,0.086
CHEMBL1451411,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.2,37,0.086
CHEMBL1512413,COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.6,35,0.086
CHEMBL1356262,COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cncnc32)c1,5,32,0.084
CHEMBL1478226,O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1-c1ccccc1,5,36,0.083
CHEMBL1315380,COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCc3ccccc3)c2n1,5.4,27,0.082
CHEMBL1605255,COc1cccc(Cn2c(=O)c(C)nc3cnc(OCc4ccccc4)nc32)c1,4.9,11,0.082
CHEMBL1604421,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1,5,16,0.081
CHEMBL1396108,COc1cccc(Cn2c(=O)cnc3cnc(Oc4ccccc4)nc32)c1,5,15,0.08
CHEMBL1445799,Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21,4.7,20,0.08
CHEMBL1474326,N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(OCc3ccccc3)nc21,4.9,19,0.079
CHEMBL1482968,Cn1c(=O)c(-c2ccccc2)nc2cnc(N3CCOCC3)nc21,4.4,9,0.078
CHEMBL1332346,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1,5,48,0.077
CHEMBL1474795,Cc1nc2cnc(N3CCNCC3)nc2n(Cc2ccc(F)cc2)c1=O,4.6,24,0.075
CHEMBL1532426,COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OC)nc21,4.4,52,0.075
CHEMBL1317885,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N(C)C)nc21,4.6,39,0.074
CHEMBL1359843,COc1ccc(C(=O)N2CCC3(CCCN(c4ccccc4)C3)CC2)cc1,5,23,0.074
CHEMBL1515287,O=c1c(CCc2ccccc2)nc2cncnc2n1-c1ccccc1,4.6,46,0.074
CHEMBL1326152,CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)CC1,4.5,11,0.073
CHEMBL1407035,COc1cccc(N=c2nc3c(c[nH]2)ncc(=O)n3CCc2ccccc2)c1,6.1,11,0.073
CHEMBL1328533,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,14,0.071
CHEMBL1524944,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccc(Cl)cc1,5.4,7,0.071
CHEMBL1323124,COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N4CCNCC4)nc32)c1,4.6,56,0.07
CHEMBL1484006,CC(C(=O)N[C@H](C)CO)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.4,10,0.07
CHEMBL1560445,Cc1nc2cncnc2n(Cc2ccccc2)c1=O,4.8,37,0.07
CHEMBL1567477,CC(C(=O)N[C@H](C)CO)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.6,10,0.07
CHEMBL1359108,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1,5,26,0.069
CHEMBL1476298,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.7,37,0.068
CHEMBL1395605,O=c1cnc2cnc(N3CCOCC3)nc2n1Cc1cccs1,4.5,21,0.067
CHEMBL1414269,CN=c1[nH]c(-c2ccc(N(C)C)cc2)nc2ccccc12,6.1,6,0.067
CHEMBL1559127,COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C)c3n2)cc1,5,18,0.067
CHEMBL1364366,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Oc3ccccc3)nc21,5.1,31,0.065
CHEMBL1554659,N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21,4.8,31,0.065
CHEMBL1558526,COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cncnc32)c1,5,54,0.065
CHEMBL1612363,N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4cccc(F)c4)CC3)C2)cc1,4.4,14,0.064
CHEMBL1474302,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccs3)c2n1,4.8,24,0.063
CHEMBL1363413,CC(C(=O)O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,4.4,8,0.062
CHEMBL1370467,COC(=O)C(C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,5.3,8,0.062
CHEMBL1400193,CC(C(=O)O)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.8,8,0.062
CHEMBL1401672,COc1cccc(Cn2c(=O)cnc3cnc(N4CCOCC4)nc32)c1,4.7,24,0.062
CHEMBL1408622,COC(=O)C(C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5.7,8,0.062
CHEMBL1568071,COCCn1c(C(=O)N(C)C)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]21,4.6,13,0.062
CHEMBL1524211,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3cccc(Cl)c3)nc21,5.6,36,0.061
CHEMBL1366961,CC(C)[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](CO)NC(=O)C1CCCC[C@H]1N,4.4,5,0.06
CHEMBL1455570,CCN=c1nc2c(c[nH]1)ncc(=O)n2Cc1cccc(OC)c1,4.9,10,0.06
CHEMBL1535635,COc1ncc2nc(C)c(=O)n(CCc3ccccc3)c2n1,4.7,30,0.06
CHEMBL1593837,CC(C)[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.5,5,0.06
CHEMBL1449218,COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Oc3ccc(OC)cc3)nc21,4.9,37,0.059
CHEMBL1475146,O=c1c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1,6.3,29,0.059
CHEMBL1415569,O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C1CC1,5.2,19,0.058
CHEMBL1473331,O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1C1CC1,6,35,0.057
CHEMBL1569497,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,40,0.057
CHEMBL1331031,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.8,27,0.056
CHEMBL1481127,CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1,4.9,50,0.056
CHEMBL1562786,COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.9,16,0.056
CHEMBL1357551,COc1cccc(Cn2c(=O)cnc3cncnc32)c1,4.5,31,0.055
CHEMBL1490869,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,37,0.054
CHEMBL1316557,COc1ccc(Oc2ncc3nc(C)c(=O)n(C[C@H]4CCCO4)c3n2)cc1,4.4,17,0.053
CHEMBL1397623,O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1,5.5,38,0.053
CHEMBL1411424,COc1ccc(-n2c(=O)c(C)nc3cncnc32)cc1,4.4,15,0.053
CHEMBL1590081,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,29,0.052
CHEMBL1326360,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.8,4,0.05
CHEMBL1335471,COC(=O)C1(Cc2ccccc2)C=C2C(C)C(=O)C(C(C)C)C2C=N1,4.5,2,0.05
CHEMBL1336793,CCN=c1nc2c(c[nH]1)nc(-c1cn(C)c3ccccc13)c(=O)n2C,4.4,6,0.05
CHEMBL1358272,COc1ccccc1CN=c1[nH]c(-c2c(C)noc2C)nc2ccccc12,6,8,0.05
CHEMBL1396936,CS(=O)(=O)Nc1cccc(-c2nc(=NCc3cccnc3)c3ccccc3[nH]2)c1,6,2,0.05
CHEMBL1397825,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccccc3)C2)CC1,5,26,0.05
CHEMBL1404501,Cc1nc2c[nH]c(=Nc3ccccc3)nc2n(C[C@H]2CCCO2)c1=O,4.4,4,0.05
CHEMBL1437448,COC(=O)C1(Cc2ccccc2)C=C2C(C)C(=O)C(c3ccccc3)C2C=N1,4.9,2,0.05
CHEMBL1456688,O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccccn3)C2)CC1,5.1,18,0.05
CHEMBL1472955,CS(=O)(=O)Nc1cccc(-c2nc(=Nc3ccncc3)c3ccccc3[nH]2)c1,6.2,2,0.05
CHEMBL1558480,COc1ccc(Oc2ncc3ncc(=O)n(Cc4cccc(OC)c4)c3n2)cc1,5,22,0.05
CHEMBL1496246,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,37,0.049
CHEMBL1396809,COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cncnc32)c1,4.9,73,0.047
CHEMBL1417135,CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1,5,30,0.047
CHEMBL1475207,CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(C4CC4)c3n2)CC1,4.9,17,0.047
CHEMBL1329108,COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N(C)C)nc21,4.9,13,0.046
CHEMBL1321459,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(C)c3C[C@H]2CN1C(=O)c1ccccc1,5.9,11,0.045
CHEMBL1455767,CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)CC1,5,20,0.045
CHEMBL1567236,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,29,0.045
CHEMBL1356372,O=c1c(-c2cccc(F)c2)nc2cncnc2n1-c1ccccc1,4.8,33,0.042
CHEMBL1372363,COc1ccc(Oc2ncc3nc(C)c(=O)n(C4CC4)c3n2)cc1,4.6,44,0.041
CHEMBL1557234,O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,4.7,49,0.041
CHEMBL1394731,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1,5.7,5,0.04
CHEMBL1403905,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,5,0.04
CHEMBL1490786,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,5,35,0.04
CHEMBL1375753,COc1cccc(N=c2nc3c(c[nH]2)ncc(=O)n3Cc2cccs2)c1,5.6,8,0.038
CHEMBL1517718,O=c1cnc2c[nH]c(=Nc3ccccc3)nc2n1Cc1cccs1,5.5,8,0.038
CHEMBL1566442,COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCOCC4)nc32)c1,4.6,22,0.036
CHEMBL1611856,COc1cccc(Cn2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)c1,4.8,39,0.036
CHEMBL1436507,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccc(OC)cc3)nc21,5,61,0.034
CHEMBL1452111,COC(=O)C1C[C@@H]1[C@H](NC(=O)c1ccccc1)c1ccccc1,4.4,3,0.033
CHEMBL1526795,COC(=O)C1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1,4.4,3,0.033
CHEMBL1603393,O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,5.1,45,0.033
CHEMBL1489659,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1,5.1,32,0.031
CHEMBL1521440,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(C)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,37,0.03
CHEMBL1398425,COc1ccc(Oc2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(C)c3n2)cc1,5.2,7,0.029
CHEMBL1400637,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21,4.4,45,0.029
CHEMBL1441453,N#CCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21,5.1,32,0.028
CHEMBL1330385,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4c(CO)[nH]cc(C)c4=O)c3C[C@H]2CN1C(=O)c1ccccc1,6,26,0.027
CHEMBL1358756,COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21,5.1,55,0.027
CHEMBL1366061,COc1cccc(Cn2c(=O)cnc3c[nH]c(=Nc4ccccc4)nc32)c1,5.6,11,0.027
CHEMBL1491574,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,4.9,37,0.027
CHEMBL1315268,O=c1cnc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1,4.6,23,0.026
CHEMBL1396773,Cn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc21,4.9,27,0.026
CHEMBL1411743,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1,5,31,0.026
CHEMBL1375285,Cc1ccc(CNC(=O)C2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1,5,4,0.025
CHEMBL1378208,O=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1,5,4,0.025
CHEMBL1433783,O=c1cnc2cncnc2n1Cc1ccccc1Cl,4.7,20,0.025
CHEMBL1554721,N#Cc1cccc(-c2ccc3[nH]cnc(=NCc4cccnc4)c3c2)c1,6.1,4,0.025
CHEMBL1558885,Cc1ccc(CNC(=O)C2C[C@H]2[C@@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)o1,4.6,4,0.025
CHEMBL1566936,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1,5.5,4,0.025
CHEMBL1518689,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,17,0.024
CHEMBL1492205,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1,5.4,43,0.023
CHEMBL1363622,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,5.3,36,0.022
CHEMBL1365979,Cc1nc2cncnc2n(-c2ccccc2)c1=O,4.4,37,0.022
CHEMBL1414073,COc1ccc(Oc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)cc1,4.9,33,0.021
CHEMBL1354355,Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(Cc2ccc(F)cc2)c1=O,5.1,20,0.02
CHEMBL1369966,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(O)cc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.5,5,0.02
CHEMBL1478772,CCN=c1nc2c(c[nH]1)ncc(=O)n2Cc1cccs1,4.8,10,0.02
CHEMBL1602812,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4c[nH]c5ccc(O)cc45)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,5,0.02
CHEMBL1396142,CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)CC1,4.4,31,0.019
CHEMBL1592506,COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc21,5,27,0.019
CHEMBL1436488,O=c1cnc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1,4.7,24,0.017
CHEMBL1474475,O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1,4.7,30,0.017
CHEMBL1435384,COCCn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21,4.9,31,0.016
CHEMBL1476009,N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc21,4.8,37,0.014
CHEMBL1551133,COc1ccccc1CCn1c(=O)c(-c2ccccc2)nc2cncnc21,5.3,43,0.014
CHEMBL1354693,COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(CCc3ccccc3)c2=O)cc1,5.4,32,0.013
CHEMBL1437018,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CO)NC(=O)C1CNCC[C@H]1N,4.5,8,0.013
CHEMBL1475788,COc1ccc(C(=O)N2CCC3(CCCN(c4ccccn4)C3)CC2)cc1,4.9,15,0.013
CHEMBL1409369,COc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(Cc4cccs4)c3n2)cc1,5.5,16,0.012
CHEMBL1435788,COc1ccc(Oc2ncc3nc(C)c(=O)n(-c4ccc(OC)cc4)c3n2)cc1,4.4,8,0.012
CHEMBL1373621,O=c1cnc2cnc(N3CCOCC3)nc2n1CCc1ccccc1,5,28,0.011
CHEMBL1472898,COc1ccc(Oc2ncc3nc(-c4ccc(OC)cc4)c(=O)n(C4CC4)c3n2)cc1,5.2,19,0.011
CHEMBL1602633,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,30,0.01
CHEMBL1435809,Cc1nc2cnc(OCc3ccccc3)nc2n(CCc2ccccc2)c1=O,4.8,11,0.0091
CHEMBL1365994,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1,5.3,35,0.0086
CHEMBL1354281,COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(CCC#N)c3n2)cc1,5,39,0.0077
CHEMBL1602394,COc1ccccc1CCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21,5.2,43,0.007
CHEMBL1415406,COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3cccs3)c2n1,4.9,25,0.004
CHEMBL1378440,COc1ccc(Oc2ncc3nc(C)c(=O)n(Cc4cccc(OC)c4)c3n2)cc1,4.9,28,0.0036
CHEMBL1472732,COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21,5.5,69,0.0029
CHEMBL1397225,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1,5,47,0.0021
CHEMBL495068,COc1ccccc1CN=c1[nH]cnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12,6.1,1,6.40E-05
CHEMBL1358796,c1ccc(CN=c2[nH]cnc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1,6.3,1,4.70E-05
CHEMBL1370296,Cc1cccc(CN=c2[nH]cnc3ccc(-c4ccoc4)cc23)c1,6,1,4.70E-05
CHEMBL1552519,c1ccc(CN=c2[nH]cnc3ccc(-c4ccoc4)cc23)cc1,5.8,1,4.70E-05
CHEMBL1319286,CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(Cc4cccs4)c3n2)CC1,4.6,10,3.50E-05
CHEMBL1355010,COc1ccc(-n2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCNCC4)nc32)cc1,4.4,4,9.20E-06
CHEMBL1435293,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CC4CC4)c3C[C@H]2CN1C(=O)c1ccccc1,6,13,9.10E-06
CHEMBL1443713,Cn1c(=O)cnc2c[nH]c(=Nc3ccccc3)nc21,4.6,1,7.00E-06
CHEMBL1527221,c1csc(CN=c2[nH]cncc2-c2ccoc2)c1,6.1,2,6.70E-06
CHEMBL1557048,c1csc(CN=c2[nH]cncc2-c2ccc3c(c2)OCO3)c1,6.5,2,6.70E-06
CHEMBL1515194,COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(N4CCNCC4)nc32)c1,4.7,41,4.00E-06
CHEMBL1516262,Cc1nc2c[nH]c(=Nc3ccccc3)nc2n(C)c1=O,4.7,2,3.90E-06
CHEMBL1398066,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccccc1,5.1,4,3.30E-06
CHEMBL1486399,CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccco1)c1ccccc1,4.8,4,3.30E-06
CHEMBL1551051,COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1,4.8,22,1.80E-06
CHEMBL1413340,O=C(c1cnccn1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,4.7,5,1.20E-06
CHEMBL1447392,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,5,2,5.40E-07
CHEMBL1602112,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1,4.7,2,5.40E-07
CHEMBL1325335,CN1CCN(c2ncc3nc(-c4cn(C)c5ccccc45)c(=O)n(CCC#N)c3n2)CC1,4.4,5,3.90E-07
CHEMBL1320525,COC(=O)[C@@]1(Cc2ccc(F)cc2)C2=C(CC(=O)C(=O)N(C)C)C(=O)CC2CN1C(=O)c1ccccc1,4.6,1,0
CHEMBL1330251,COC(=O)[C@@]1(Cc2ccc(OC)cc2)C2=C(CC(=O)C(=O)N3CCCC3)C(=O)CC2CN1C(=O)c1ccccc1,5,1,0
CHEMBL1410491,COC(=O)[C@@]1(Cc2ccc(OC)cc2)C2=C(CC(=O)C(=O)N(C)C)C(=O)CC2CN1C(=O)c1ccccc1,4.6,1,0
CHEMBL1445772,COC(=O)[C@@]1(Cc2ccc(F)cc2)C2=C(CC(=O)C(=O)N3CCCC3)C(=O)CC2CN1C(=O)c1ccccc1,5,1,0
CHEMBL1596121,CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)C(C)C)NC(=O)C1CNCC[C@H]1N,4.5,1,0
CHEMBL10,C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,5.699991797,,
CHEMBL10009,CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2,5.900008766,,
CHEMBL100473,N#CC(C(=N)Sc1ccccc1N)C(C#N)C(=N)Sc1ccccc1N,6.100015437,,
CHEMBL100848,O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)N=c3cccc[nH]3)cc2)ccc1O,5.099999035,,
CHEMBL101,CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O,4.499999679,,
CHEMBL102714,Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21,4.749999839,,
CHEMBL102740,N=C(N)NCCCCN=C(N)N,5.399996913,,
CHEMBL10284,CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,4.899998417,,
CHEMBL1034,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,5.449998585,,
CHEMBL103469,O=C(c1ccc2c(c1)OCO2)N1CCCCC1,5.099999035,,
CHEMBL104,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,6.250019067,,
CHEMBL1043,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,6.100015437,,
CHEMBL105672,COC(=O)C1=C(C)N=C(C)C([N+](=O)[O-])[C@@H]1c1ccccc1C(F)(F)F,6.799970733,,
CHEMBL105739,C=c1cc(C)[nH]c1=Cc1c(O)[nH]c2ccccc12,5.599997654,,
CHEMBL107,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,5.499996932,,
CHEMBL1073,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,4.799999357,,
CHEMBL107528,CCCN=C(N)NCCCC(N)C(=O)O,5.399996913,,
CHEMBL1078442,CC(C)=CCC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12,7.500312917,,
CHEMBL1079460,O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3,4.599999383,,
CHEMBL1089,NNCCc1ccccc1,5.899985367,,
CHEMBL1091971,O=[As](O)(O)c1ccc(Cc2ccc([As](=O)(O)O)cc2)cc1,5.099999035,,
CHEMBL1097940,NC(=O)COc1c(F)cc(SCCNS(=O)(=O)c2ccccc2)cc1F,4.499999679,,
CHEMBL110611,NCC#Cc1ccccc1,5,,
CHEMBL1108,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,5,,
CHEMBL1109,Nc1ccc(S(=O)(=O)N=c2cc[nH]n2-c2ccccc2)cc1,6.850085048,,
CHEMBL111545,CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC,5.099999035,,
CHEMBL1123,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,5.099999035,,
CHEMBL113142,N=c1[nH]c(=NCCc2ccc(O)cc2)nc2[nH]c(-c3ccco3)nn12,4.400000186,,
CHEMBL1148,Cc1cccc(N=c2cc[nH]cc2S(=O)(=O)NC(=O)NC(C)C)c1,4.899998417,,
CHEMBL1161520,Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1,4.499999679,,
CHEMBL1161936,O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1,5.799998135,,
CHEMBL1162521,O=C(O)C[S+]([O-])c1ccc2c3c(cccc13)C(=O)c1ccccc1-2,5.199998172,,
CHEMBL11684,CC1(C)Oc2ccc(C#N)cc2[C@H](N2CCCC2=O)[C@H]1O,4.400000186,,
CHEMBL1169388,CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1,4.599999383,,
CHEMBL1170,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,4.899998417,,
CHEMBL1172911,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc12,5.499996932,,
CHEMBL1172977,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2,5.499996932,,
CHEMBL1173453,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2,5.599997654,,
CHEMBL1179,N[C@@H]1C[C@H]1c1ccccc1,4.400000186,,
CHEMBL1179104,Fc1ccc(C(OCCCc2c[nH]cn2)c2ccc(F)cc2)cc1,7.500312917,,
CHEMBL1179483,COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1,5.399996913,,
CHEMBL1180496,CC[N+](CC)(CC)CC(=O)Nc1c(C)cccc1C,4.400000186,,
CHEMBL1182777,O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21,6.799970733,,
CHEMBL1183559,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,4.499999679,,
CHEMBL1188431,NCCCCCCNS(=O)(=O)c1cccc2ccccc12,6.7000571,,
CHEMBL1190161,COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1,4.7499989,,
CHEMBL1190913,c1cncc(-c2nc(=NCc3cccs3)c3ccccc3[nH]2)c1,6,,
CHEMBL1192517,CNCCCCOc1ccccc1Cc1ccccc1,4.400000186,,
CHEMBL1195032,C[C@@H]1NCCc2cc(O)c(O)cc21,4.800000875,,
CHEMBL1200766,Nc1ccc(S(=O)(=O)N=c2nccc[nH]2)cc1,5.900008766,,
CHEMBL1200806,COc1ccc2cc(C(C)C(=O)O)ccc2c1,4.400000186,,
CHEMBL1201039,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,5.399996913,,
CHEMBL1201155,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,4.899998417,,
CHEMBL1201217,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1,5.599997654,,
CHEMBL1201322,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,4.800000875,,
CHEMBL1201842,CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1,4.650000277,,
CHEMBL120806,Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N,6.100015437,,
CHEMBL1213137,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1,7.100179498,,
CHEMBL1213138,CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2,4.400000186,,
CHEMBL1214274,O=C1C(=Nc2ccc(S(=O)(=O)N=c3cccc[nH]3)cc2)C(Cl)C(=O)c2ccccc21,5.699991797,,
CHEMBL121626,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,5.499996932,,
CHEMBL12208,Cc1cc(=O)oc2cc(O)ccc12,4.899998417,,
CHEMBL1222317,Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,5.900008766,,
CHEMBL122701,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccccc12,4.499999679,,
CHEMBL123,Cc1c2cc[nH]cc2c(C)c2c1nc1ccccc12,4.400000186,,
CHEMBL1231023,NC(C[PH](=O)(=O)O)C(=O)O,4.400000186,,
CHEMBL1232474,Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,6.799970733,,
CHEMBL123325,COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12,5,,
CHEMBL1233960,O=C(NCCO)c1ccc(Cl)cc1,5.299997603,,
CHEMBL1234071,O=C(O)CCCC[C@H]1CCSS1,4.400000186,,
CHEMBL123433,Ic1cncc(OC[C@@H]2CCN2)c1,4.499999679,,
CHEMBL1235001,CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O,4.899998417,,
CHEMBL1235551,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1,4.949999955,,
CHEMBL123904,Cc1nc(=O)c2cccc(O)c2[nH]1,5.399996913,,
CHEMBL1255647,N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-],4.400000186,,
CHEMBL1255781,O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12,5.699991797,,
CHEMBL1256291,O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F,5.900008766,,
CHEMBL1256364,S=C(N=c1[nH]ccs1)Nc1ccccc1,4.700000504,,
CHEMBL1256392,NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1,5.699991797,,
CHEMBL1256516,NC(Cc1cc(O)c(O)cc1O)C(=O)O,4.400000186,,
CHEMBL1256697,CC(C)(CO)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,8.102372909,,
CHEMBL1256718,C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O,4.400000186,,
CHEMBL1256759,O=C(O)c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1,5.699993986,,
CHEMBL1256814,COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Cl)cc1,4.899998417,,
CHEMBL1256841,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,4.799999692,,
CHEMBL1256851,O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1,7,,
CHEMBL1256871,CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O,4.400000186,,
CHEMBL1256873,Cc1c[nH]c(=NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1,4.499999679,,
CHEMBL1256919,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3,4.599999383,,
CHEMBL1256943,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1,5,,
CHEMBL1257003,COc1cc(C=C(C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O,6.299988938,,
CHEMBL1257014,COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(F)cc1,4.599999383,,
CHEMBL1257030,O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,4.400000186,,
CHEMBL1257056,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,4.400000186,,
CHEMBL1257123,C(=C\c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,4.800000875,,
CHEMBL126075,COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC,5,,
CHEMBL126077,O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12,4.649999302,,
CHEMBL1269022,S=C(Nc1ccc2c[nH]nc2c1)Nc1ccc2c[nH]nc2c1,5.599997654,,
CHEMBL1270168,N=c1nc(SCc2ccccc2)c2ncn(Cc3ccccc3)c2[nH]1,5.499996932,,
CHEMBL1274,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,4.549999531,,
CHEMBL127516,CCCCOC(=O)c1ccc(N)cc1,4.899998417,,
CHEMBL12831,O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1,4.499999679,,
CHEMBL12856,Nc1cc(-c2ccncc2)c[nH]c1=O,4.899998417,,
CHEMBL1288013,CN(CCc1ccccn1)c1ccc2c(c1)Cc1ccccc1-2,5.099999035,,
CHEMBL129768,O[C@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1,4.899998417,,
CHEMBL129795,O=C(C=Cc1ccc(O)cc1)c1ccc(O)cc1O,5.099999035,,
CHEMBL13045,COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC,4.400000186,,
CHEMBL1314130,CCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCC)cc2)cc1,4.400000186,,
CHEMBL1314211,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4cccc(NS(C)(=O)=O)c4)nc4ccccc34)c2c1,6.400007822,,
CHEMBL1314222,CS(=O)(=O)Nc1cccc(-c2ccc3[nH]cnc(=NCc4cccs4)c3c2)c1,6.299988938,,
CHEMBL1314273,CC(C)CO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br,5.699991797,,
CHEMBL1314286,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1,4.899998417,,
CHEMBL1314388,c1csc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)nc3ccccc23)c1,5.799998135,,
CHEMBL1314450,COC(=O)C1=C(C)N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1,6.500038134,,
CHEMBL1314451,O=S(=O)(O)c1ccc2c(N=Nc3c(O)ccc4ccccc34)cccc2c1,6.400007822,,
CHEMBL1314477,COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2)cc1,4.700000504,,
CHEMBL1314564,CCOC(=O)OCC1OC(C#Cc2ccccc2)C=CC1Oc1cccc(N(C)C)c1,5.599997654,,
CHEMBL1314641,COc1ccc(/C=C/C2=CC3(C)CC2(C)C(c2ccc(OC)cc2)CC3=O)cc1,5.099999035,,
CHEMBL1314808,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1,4.400000186,,
CHEMBL1314989,CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCC[C@H]3CC(=O)O)cc1,6.400007822,,
CHEMBL1315083,COc1ccc(CN=c2cc[nH]c(-c3cccc(C#N)c3)n2)c(OC)c1,6.299988938,,
CHEMBL1315184,COc1cccc(-c2cc(=NCCc3c[nH]c4ccc(OC)cc34)[nH]cn2)c1,5.799998135,,
CHEMBL1315313,COC(=O)C1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,4.800000875,,
CHEMBL1315316,O=S(=O)(O)c1cc(O)c2c(N=Cc3ccccc3O)cc(S(=O)(=O)O)cc2c1,5.499996932,,
CHEMBL1315323,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,4.400000186,,
CHEMBL1315342,N=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,4.400000186,,
CHEMBL1315417,CC[C@]1(c2ncc[nH]2)Cc2ccccc2O1,4.599999383,,
CHEMBL1315589,Cc1ccc2c(c1)C(=O)[C@@]1(O)CCN(c3ccccc3)C1=N2,4.899998417,,
CHEMBL1315743,CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,5.699998457,,
CHEMBL1315939,CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3,4.400000186,,
CHEMBL1316190,COc1cc2oc(-c3ccccc3)cc(=O)c2cc1OC,6,,
CHEMBL1316209,CC(C)[C@@]1(NC(=O)C2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)C(Cc3ccccc3)N2C1=O,5.900008766,,
CHEMBL1316213,CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)C=C[C@@H]1Oc1ccc(OC)cc1,5.399996913,,
CHEMBL1316219,O=C(OC[C@@H](O)CO)c1ccccc1N=c1cc[nH]c2cc(Cl)ccc12,4.800000875,,
CHEMBL1316265,CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1,4.499999679,,
CHEMBL1316408,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4ccccc4C)n3)c2c1,5.900008766,,
CHEMBL1316463,CCN=c1nc2c(c[nH]1)nc(-c1cc(F)cc(F)c1)c(=O)n2CCc1ccccc1,4.800000875,,
CHEMBL1316470,COc1cc2c(cc1O)-c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3,4.499999679,,
CHEMBL1316482,FC(F)(F)c1ccccc1-c1nccc(N2CCNCC2)n1,5.900008766,,
CHEMBL1316579,CN1CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3,4.89999855,,
CHEMBL1316629,CCOC(c1cc(OC)cc([N+](=O)[O-])c1OC)C(C)C(OC)[C@@H](C)C=CCC(=O)OC,5.599997654,,
CHEMBL1316731,COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4c(C)noc4C)C3)C2)cc1,4.400000186,,
CHEMBL1316749,C=CC[C@@H]1C=C[C@H](Oc2ccc(C)cc2)[C@H](COC(=O)NCc2cccc3ccccc23)O1,5.399996913,,
CHEMBL1316956,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccccc3OC)c2c1,6.599980365,,
CHEMBL1316973,CC(C)C[C@@H](CC(=O)N[C@@H](CCCN)CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C1CCCC[C@H]1N,4.499999679,,
CHEMBL1317010,C=CC[C@@H]1C=C[C@@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)[C@@H](CO)O1,7.899629455,,
CHEMBL1317013,Oc1ccc2ccccc2c1/C=C\c1ccc2c(Br)cc(Br)c(O)c2n1,5.599997654,,
CHEMBL1317055,CC1CCC2C(=O)OC(Cc3ccccc3)CN2C1c1ccc(Br)cc1,5.599997654,,
CHEMBL1317148,C[C@@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12,4.599999383,,
CHEMBL1317231,CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,6.199970641,,
CHEMBL1317232,O=C(c1ccco1)N1CCC2(CC1)CN(Cc1ccncc1)C2,5.499996932,,
CHEMBL1317234,CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)O,4.499999679,,
CHEMBL1317300,COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)(C)O)ccc12,4.699999048,,
CHEMBL1317335,FC(F)(F)c1ccccc1-c1ccc2[nH]cnc(=NC3CCNCC3)c2c1,6.89997427,,
CHEMBL1317633,NCCC[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CNCC[C@H]1N,4.499999679,,
CHEMBL1317823,CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1,4.499999679,,
CHEMBL1317860,COC(=O)NC(c1cccc(F)c1)C(C(=O)OC)C(C)=NCc1ccccc1,5.199998172,,
CHEMBL1317916,O=C1C(=O)C(Cc2ccccc2)C(=O)c2ccccc21,5.399996913,,
CHEMBL1317932,OC[C@H](CCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12,5.399996913,,
CHEMBL1317950,Clc1ccc(CC[C@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,7.899629455,,
CHEMBL1317986,O=C1C(Cl)=C(Sc2nnc3c4ccccc4c4ccccc4c3n2)C(=O)c2ccccc21,5.399996913,,
CHEMBL1318020,CC(=O)C1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3C(=O)C[C@@]12C,4.899998417,,
CHEMBL1318114,COc1cccc(-c2nc(=NCCc3c[nH]c4ccc(OC)cc34)cc[nH]2)c1,6.299988938,,
CHEMBL1318278,Cn1cccc1C(=O)N1CCC2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CC1,4.599999383,,
CHEMBL1318307,CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21,4.700000504,,
CHEMBL1318316,CN(Cc1cc(Br)cc(Br)c1O)Cc1c(O)ccc2ccccc12,5.499996932,,
CHEMBL1318340,CN=c1[nH]cnc2ccc(-c3cccc(OC)c3)cc12,6.299988938,,
CHEMBL1318341,Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2,4.899998417,,
CHEMBL1318411,O=C(c1ccncc1)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,4.899998417,,
CHEMBL1318421,CC(=O)OCC1OC(C#Cc2ccc(C)cc2C)C=CC1OC(C)=O,5.599997654,,
CHEMBL1318470,CC#CCOC(=O)c1c(C)[nH]c2sc3c(c2c1=N)CC[C@@H](O)C3,4.800000875,,
CHEMBL1318495,CN(C)c1ccc(-c2c[nH]cnc2=NCCc2c[nH]cn2)cc1,6.299988938,,
CHEMBL1318513,Cc1cc(=O)oc2cc(OC3C=CC(C#CC(C)(C)C)OC3CO)ccc12,5.499996932,,
CHEMBL1318551,C[C@@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12,4.499999679,,
CHEMBL1318553,CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32,4.599999383,,
CHEMBL1318571,Cc1cc(CNC(=O)C(C)C2C[C@]2(C)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)nn1C,5.199998172,,
CHEMBL1318622,CCC/C=C(\CCC)C(NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1,6.299988938,,
CHEMBL1318674,O=C1C[C@@H](O)[C@@H](O)[C@H]2c3c(c(O)n(Cc4ccccc4)c3O)CCC12,5.399996913,,
CHEMBL1318698,COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,5.900008766,,
CHEMBL1318708,COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,5,,
CHEMBL1318799,COC(=O)C1(Cc2ccccc2)C2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3CC2CN1C(=O)c1ccccc1,5.399996913,,
CHEMBL1319093,CN(Cc1ccco1)c1ncncc1-c1ccccc1Cl,6.100015437,,
CHEMBL1319251,CC12C=C(/C=C/C=C/c3ccccc3)C(C)(C1)C(/C=C/c1ccccc1)CC2=O,5.499996932,,
CHEMBL1319303,CCOC(=O)C(O)Cc1cnc2ccccc2n1,5.399996913,,
CHEMBL1319373,Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1,4.700000504,,
CHEMBL1319626,O=C1CCC[C@@H](C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C1,5.499996932,,
CHEMBL1319720,COC(=O)C1C(c2ccccc2)C(=O)[C@@]2(O)c3ccccc3O[C@@]12c1ccccc1,5.199998172,,
CHEMBL1319783,COCC(=O)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)C2,5.799998135,,
CHEMBL1319785,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1,4.499999679,,
CHEMBL1319789,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1,6,,
CHEMBL1320034,O=C(O)C=Cc1ccc(O)c(O)c1,4.800000875,,
CHEMBL1320052,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,4.499999679,,
CHEMBL1320141,COc1cc(O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(OC)c1,5.699991797,,
CHEMBL1320315,O=C(O)C[C@H]1OCC=C2CN3CC[C@]45C(=Nc6c4cc(O)c(O)c6[N+](=O)[O-])C1[C@H]2C[C@@H]35,5.499996932,,
CHEMBL1320406,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1,5.75000321,,
CHEMBL1320469,Clc1ccccc1-c1nc(=Nc2ccncc2)c2ccccc2[nH]1,5.799998135,,
CHEMBL1320619,O=C(c1ccco1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,4.599999383,,
CHEMBL1320662,O=C(Nc1cccc(F)c1)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,4.800000875,,
CHEMBL1320743,C[C@]12CC[C@H]3[C@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N,5,,
CHEMBL1320913,CN(C)CCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C,5.599997654,,
CHEMBL1320943,C=C(C)C(O)/C=C/c1ccc(Br)cc1,5.499996932,,
CHEMBL1321338,Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1,4.400000186,,
CHEMBL1321470,CC1CN2C(CCC(C)C2c2ccc(Br)cc2)C(=O)O1,5.399996913,,
CHEMBL1321655,CN1CCc2cc3c(cc2[C@@H]1c1c(O)oc2c4c(ccc12)OCO4)OCO3,4.899998417,,
CHEMBL1322026,CC1=CC(C)(C)Nc2ccc(CSc3ccccc3)cc21,6.7000571,,
CHEMBL1322137,O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1CCc1ccccn1,5.499996932,,
CHEMBL1322414,COc1ccc([C@@H](C)c2cc3c(cc2O)OCO3)cc1,5.799998135,,
CHEMBL1322743,N#Cc1cccc(-c2nc3c[nH]c(=Nc4ccccc4)nc3n(C[C@H]3CCCO3)c2=O)c1,5,,
CHEMBL1322864,N=c1sc2ccccc2n1CCS,5.799998135,,
CHEMBL1322875,CCc1ccccc1OC[C@H](O)CN[C@@H]1CCc2ccccc2C1,4.499999679,,
CHEMBL1322976,CCCCCCC=C1C=C2CC(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1,5.199998172,,
CHEMBL1323204,C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1,5.499996932,,
CHEMBL1323524,COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1,5.799998135,,
CHEMBL1323529,CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O,4.800000875,,
CHEMBL1323563,O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1,6,,
CHEMBL1323759,CS(=O)(=O)Nc1cccc(-c2cc(=Nc3ccccc3)[nH]cn2)c1,6,,
CHEMBL1323836,CCOC(=O)[C@@]12CC1C(=NO)c1ccccc1O2,4.400000186,,
CHEMBL1323905,CCCc1cc2c(n1CCO)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,4.899998417,,
CHEMBL1323927,CN(C)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1,6.799970733,,
CHEMBL1324032,FC(F)(F)c1cccc(-c2nc3nc(Cl)c(Cl)nc3[nH]2)c1,5.399996913,,
CHEMBL1324178,COC(=O)C(Cc1ccccc1)NC(=O)C(C)CO,5.399996913,,
CHEMBL1324201,C[C@@H]1O[C@H]1[PH](=O)(=O)O,5.499996932,,
CHEMBL1324405,C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1,4.699999048,,
CHEMBL1324434,C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1)OCO3,4.599999383,,
CHEMBL1324656,CCCNC(=O)OC[C@H]1O[C@@H](CCON=CC(NS(=O)(=O)c2ccc(C)cc2)C(C)C=CCC(=O)OC)C=C[C@@H]1Oc1ccc(OC)cc1,5.399996913,,
CHEMBL1324697,CCCC=CC1C(=O)C(C)C2CC(C)(C(=O)OC)N=CC12,4.499999679,,
CHEMBL1324854,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@@H]5[C@@H](O)[C@H]3O)[C@@H]3COC(=O)C32)OCO4)cc(OC)c1O,5.599997654,,
CHEMBL1325197,CCCCC#CC1C=CC(Oc2cc(OC)c(OC)c(OC)c2)C(COC(=O)OCC)O1,5.199998172,,
CHEMBL1325408,O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c3cccnc3c2O)c(O)c2ncccc12,5.299997603,,
CHEMBL1325511,CC(C)(C)CC(C)(C)c1cc(O)c(O)c(CN2CCCCC2)c1,5.099999035,,
CHEMBL1326204,C[C@]12CC[C@H]3c4ccc(OC[C@H]5CO5)cc4CC[C@H]3[C@H]1CC[C@@H]2O,5.499996932,,
CHEMBL1326787,COc1ccccc1CC(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1,4.899998417,,
CHEMBL1326815,COc1cccc(C2Oc3ccc(OC)cc3C(NOC[C@@H](O)COCc3ccco3)C2=O)c1,5.499996932,,
CHEMBL1326960,C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1,5.399996913,,
CHEMBL1327203,Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,6.400007822,,
CHEMBL1327243,c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCc1ccc(cc1)CNc1cc[n+](c3ccccc13)C2,5.599997654,,
CHEMBL1327256,COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C,4.499999679,,
CHEMBL1327459,NNC(=O)Cc1cccnc1,5.199998172,,
CHEMBL1327466,c1cc(CSSCc2ccncc2)ccn1,5.799998135,,
CHEMBL1327619,Cc1c(C(=O)c2ccc3ccccc3c2)c2cccc3c2n1[C@H](CN1CCOCC1)CO3,4.599999383,,
CHEMBL1327697,CCC/C=C(\CCC)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1,4.899998417,,
CHEMBL1327758,COC(=O)C1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12,4.600000091,,
CHEMBL1327793,Cl/C(=N\c1cccc2ccccc12)N(c1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1327945,COc1ccc(CN=c2[nH]cncc2-c2cccnc2)c(OC)c1,6.7000571,,
CHEMBL1328265,O=C(O)C(Cc1cc(I)c(O)c(I)c1)C1CCCCC1,5.499996932,,
CHEMBL1328286,NCOC(=O)Cc1ccc(Br)cc1,5.699991797,,
CHEMBL1328369,Oc1cc(CN2COc3ccccc32)c(O)cc1CNC1CCCCC1,5.199998172,,
CHEMBL1328490,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cn([C@H]3COC[C@H]3O)nn2)cc1,5.499996932,,
CHEMBL1328536,C=CCSc1nc2ccccc2c(=O)n1Cc1ccco1,5.399996913,,
CHEMBL1328985,C[C@@H](/C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O,4.549999531,,
CHEMBL1329026,Cc1cc(C(=O)CSC(=S)SC(C)(C)C)ccc1Cl,5.299997603,,
CHEMBL1329218,C[C@@]12CC3CC(N)(C1)C[C@](C)(C3)C2,4.700000504,,
CHEMBL1329488,Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc([As](=O)(O)O)c(O)c1,5.499996932,,
CHEMBL1329499,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2ccc(F)cc2)c(=O)n3CCC#N)c1,6.199970641,,
CHEMBL1329823,Cc1noc(C)c1-c1cc(=NCc2cccnc2)[nH]cn1,8.301029996,,
CHEMBL1329927,CN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1,4.800000875,,
CHEMBL1329939,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C=CC[C@@H](C)COC(=O)C=CC[C@@H]2C)cc1,5.299997983,,
CHEMBL1329940,N#C[C@H](c1ccccc1)N1CCCN([C@@H](C#N)c2ccccc2)[C@H]1c1ccccc1O,5.499996932,,
CHEMBL1329957,COc1ccn(C)c(=O)c1C#N,4.899998417,,
CHEMBL1329968,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NOC[C@@H](O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)cc1,5.799998135,,
CHEMBL1330020,O=[N+]([O-])c1ccc([C@@H](Nc2ccccc2)c2ccc3cccnc3c2O)cc1,5.199998172,,
CHEMBL1330057,CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2cccc(C(F)(F)F)c2)cc1,5.499996932,,
CHEMBL1330114,O=C(CCN1CCCCC1)c1csc2ccccc12,5.499996932,,
CHEMBL1330317,CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3Cl)cc12,5.799998135,,
CHEMBL1330323,N#CC(C=NC(=S)c1ccncc1)c1nc2ccccc2s1,5.199998172,,
CHEMBL1330422,CCCc1cc2c(n1Cc1cc(F)cc(F)c1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,5.199998172,,
CHEMBL1330502,CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O,6.199970641,,
CHEMBL1330587,CCCC[C@@H]1C[C@H]1C(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1,5.900008766,,
CHEMBL1330614,O=C(Nc1cccc2ccccc12)c1ccccc1,5.599997654,,
CHEMBL1330659,COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@@H]3COC(=O)C23)OCO4)cc(OC)c1OC,5.550003469,,
CHEMBL1331066,CC(Br)C(=O)c1ccc2cc(Br)c3ccccc3c2c1,5.900008766,,
CHEMBL1331105,C=C(CC1(CNP(=O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1,5,,
CHEMBL1331112,CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccccc3)C21,5,,
CHEMBL1331118,COC(=O)[C@@]1(Cc2ccccc2)C2C(CC(=O)C(=O)N(C)C)C(=O)C[C@H]2CN1C(=O)c1ccccc1,4.800000875,,
CHEMBL1331122,O=C1/C(=C/c2ccccc2)[C@@H](NC2CCCCC2)c2ccccc21,5.399996913,,
CHEMBL1331148,NCCCCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,7.300162274,,
CHEMBL1331288,C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1cccc(OC)c1,4.400000186,,
CHEMBL1331301,O=C(O)c1[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c1C(=O)O,5.499996932,,
CHEMBL1331363,CN(C)c1ccc(-c2cc(-n3ccnc3)ncn2)cc1,6.100015437,,
CHEMBL1331443,NC(C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1,4.799999461,,
CHEMBL1331521,COc1ccc2oc(-c3ccccc3)c(OC)c(=O)c2c1,4.599999383,,
CHEMBL1331525,c1cncc(CN=c2[nH]cncc2-c2ccc3c(c2)OCO3)c1,6.100015437,,
CHEMBL1331570,Cc1c(Cl)cccc1NC(=O)CC1Sc2ccccc2NC1=O,5.599997654,,
CHEMBL1331579,CCC/C=C(\CCC)C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1,5.699991797,,
CHEMBL1331583,CC(=O)c1ccc(OC2C(O)COC2/C=C/c2ccc(Cl)cc2)cc1,5.599997654,,
CHEMBL1331618,CC(C)(C)c1cc(Br)c(O)c(CN(Cc2cc(C(C)(C)C)cc(Br)c2O)C2CCCCC2)c1,5.499996932,,
CHEMBL1331657,O=C(c1ccncc1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2,4.899998417,,
CHEMBL1331734,COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12,5.099999035,,
CHEMBL1331913,O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccco1,5.199998172,,
CHEMBL1331980,O=S1(=O)[C@@H](c2ccccc2)[C@H](N2CCCCC2)[C@H]1[C@H]1C[C@H]2c3ccccc3[C@@H]1c1ccccc12,5.099999035,,
CHEMBL1332062,CCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12,4.400000186,,
CHEMBL1332270,COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1,7.100179498,,
CHEMBL1332453,Cc1cc(N2CCOCC2)nc2ccc(Cc3ccc4nc(N5CCOCC5)cc(C)c4c3)cc12,5.399996913,,
CHEMBL1332504,NNC(=O)CCc1ccc2ccc3ccccc3c2c1,5.799998135,,
CHEMBL1332636,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCCc3nc(C)c(C)cc32)cc1,5.199998172,,
CHEMBL1332726,Nc1ccccc1C#CCCCCO,4.899998417,,
CHEMBL1332803,Cc1c(Cl)c(S(N)(=O)=O)cc2c1N=CN=S2(=O)O,5.299997603,,
CHEMBL1332980,O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,5.099999035,,
CHEMBL1333056,CC(C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C)=CC(=O)O,5,,
CHEMBL1333156,CCC/C=C(\CCC)C(NS(=O)(=O)c1cccs1)c1ccc(C(=O)OC)cc1,5.699991797,,
CHEMBL133342,CC[C@@H](CO)N=c1[nH]c(=NCc2ccccc2)c2ncn(C(C)C)c2[nH]1,6.500038134,,
CHEMBL1333556,CCc1cccc2c(-c3ccccc3)c3c(nc12)OCC3,4.899998417,,
CHEMBL1333783,CN(Cc1ccco1)c1ncncc1-c1cccc(NS(C)(=O)=O)c1,6.299988938,,
CHEMBL1334103,CS(=O)(=O)N1CCC2(CCN(c3cccc(-c4ccccc4)c3)CC2)CC1,4.499999679,,
CHEMBL1334104,O=C(C[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1,5.499996932,,
CHEMBL1334255,Cc1cc(-c2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,5.299997603,,
CHEMBL1334357,O=C(c1ccc([N+](=O)[O-])cc1)C(Br)[C@@H](Br)c1ccnc2ccccc12,5.499996932,,
CHEMBL1334465,Cc1cc(=NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2[nH]1,5.199998172,,
CHEMBL1334687,CCOC(=O)N=c1[nH]c(-c2ccccc2)c(C)s1,5.099999035,,
CHEMBL1334935,Cc1[nH]c2ccccc2c1-c1cc(-c2cc(-c3c(C)[nH]c4ccccc34)on2)no1,5.599997654,,
CHEMBL1335140,COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(C)C(=O)C3[C@@](O)(C(=O)OC)C(=O)N2C1c1ccccc1,6.89997427,,
CHEMBL1335220,Cn1ncc2c(=Nc3cccc(Cl)c3)[nH]c(=Nc3cccc(Cl)c3)[nH]c21,5.099999035,,
CHEMBL1335409,O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)o1,5.099999035,,
CHEMBL1335634,CC(=O)C1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C,4.60000053,,
CHEMBL1335668,O=C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1,6.199970641,,
CHEMBL1335826,COc1ccccc1N1CCN(C[C@@H]2CN3C(=O)N(C)c4ccccc4C3=N2)CC1,4.499999679,,
CHEMBL1335890,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5.799998135,,
CHEMBL1336008,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1,5.599997654,,
CHEMBL1336124,CC(C)C1=CC2=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1,4.899998417,,
CHEMBL1336155,COc1cc(O)c2c(O)c3c(c4c2c1[C@@]1(C4)C(C)=CCCC1(C)C)C(=O)[C@@]1(O)CC(=O)C(C(N)=O)C(=O)[C@]1(O)C3O,5.499996932,,
CHEMBL1336185,C/C(=C\c1ccc(Cl)cc1)C(C)(C)C(=O)O,5.499996932,,
CHEMBL1336585,COC(=O)CCC(=O)N=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5,4.499999679,,
CHEMBL1336985,O=c1cc(O)cc(C=Cc2ccc(O)c(O)c2)o1,4.599999383,,
CHEMBL1337108,O=C(Nc1ccccc1)N1CCCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,5,,
CHEMBL1337541,CCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1,8.795880017,,
CHEMBL1337629,CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C,5.499996932,,
CHEMBL1337691,Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1O,5.599997654,,
CHEMBL1337713,O=C(N[C@@H](c1ccccc1)[C@@H]1CC1C(=O)NCc1ccccn1)OCc1ccccc1,4.700000504,,
CHEMBL1337740,COc1ccc(-c2ccc3c(n2)CCCN3C[C@H](O)CN2CCCc3nc(-c4ccc(Br)cc4)ccc32)cc1,5.449996923,,
CHEMBL1337781,Oc1ccc(Cc2cc(Cl)cc(Cl)c2O)cc1Cl,6.7000571,,
CHEMBL1337829,N#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2)c1,4.700000504,,
CHEMBL1338163,CCC=CC(CCC)C(NC(=O)Cc1ccccc1)c1ccc(C(=O)OC)cc1,5,,
CHEMBL1338311,COC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,5,,
CHEMBL1339209,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4ccoc4)n3)c2c1,6.100015437,,
CHEMBL134,Clc1cccc(Cl)c1NC1=NCCN1,5.099999035,,
CHEMBL1354090,C[C@@H](C[N+](C)(C)C)OC(N)=O,4.400000186,,
CHEMBL1354145,Cc1cccc(C)c1NC(=O)C[N+](C)(C)C,4.400000186,,
CHEMBL1354190,Cc1c2cccc(Sc3ccccc3)c2c2c3c(cccc13)[S+](c1ccccc1)C2,5.599997654,,
CHEMBL1354243,COc1ccc(OC)c([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(=O)C32)c1Br,4.499999679,,
CHEMBL1354344,CC(=O)c1ccc(C2C=CC(Oc3ccc(-c4ccccc4)cc3)C(CO)O2)cc1,5.399996913,,
CHEMBL1354398,Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1,5.399996913,,
CHEMBL1354414,CC(C)(C)c1ccc(OC2C(O)COC2/C=C/C#Cc2ccccc2)cc1,5.299997603,,
CHEMBL1354626,CN(CCc1ccccn1)c1ccc2c(c1)C(=O)c1ccccc1-2,5.499996932,,
CHEMBL1354706,COC(=O)NC(c1cccc(F)c1)[C@]1(C(C)=O)CCCC1=O,5.399996913,,
CHEMBL1354725,COc1ccc(C#CC2C=CC(OC(C)=O)C(COC(C)=O)O2)cc1,5.299997603,,
CHEMBL1354751,O=C(c1csnn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,5.399996913,,
CHEMBL1354777,Fc1ccc([C@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,5.699991797,,
CHEMBL1354913,COc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1,7.899629455,,
CHEMBL1354966,C[C@H]1C[C@@H]2[C@H]3CC=C4CC(=O)C=C[C@@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl,5.299997603,,
CHEMBL1355040,CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I,8.494850022,,
CHEMBL1355066,CC1CCC(C(=O)O)NC1c1ccc(-c2ccco2)cc1,5.399996913,,
CHEMBL1355088,COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)cc1,5.499996932,,
CHEMBL1355095,CC(C)CC1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)C3=CC4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,4.899998417,,
CHEMBL1355263,COc1ccc(C(=O)N2CCC3(CCCN(C(=O)Nc4cccc(C#N)c4)C3)CC2)cc1,4.400000186,,
CHEMBL1355351,CC(C)(C)C(=O)NC(c1ccc(Cl)cc1)[C@]1(C)C[C@H]1C1CCCCC1,4.899998417,,
CHEMBL1355537,N=c1[nH]c(N)ccc1N=Nc1ccccc1,4.800000875,,
CHEMBL1355547,CC(C)CON=C1C2CCn3c(=O)n(Cc4cc5c(cc4Cl)OCO5)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12,5.499996932,,
CHEMBL1355708,CS(=O)(=O)N1CCC2(CC1)CN(c1ccncc1)C2,4.800000875,,
CHEMBL1355807,COc1ccc(C(=O)C2[C@@H]3[C@H]4COC(O4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)c(OC)c1,4.499999679,,
CHEMBL1355849,CCCCCCC1=Cc2cc(OC)c(OC)cc2C(C(C(C)=O)C(=O)OC)O1,5.399996913,,
CHEMBL1355935,O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1,4.700000504,,
CHEMBL1355952,CC=C(C)C(=O)O[C@@H]1C(C)=C2[C@@H]3OC(=O)[C@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC,4.499999679,,
CHEMBL1356022,COc1ccc(OC2C=CC(C#Cc3ccccc3)OC2CO)cc1,5.900008766,,
CHEMBL1356041,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5ccc(C(=O)N(C)C)cc5)cc34)c2c1,6.599980365,,
CHEMBL1356055,CC[C@@H](c1ccc2cc(O)ccc2c1)C(C)(C)C(=O)O,5.499996932,,
CHEMBL1356060,c1nc(=NCCc2cnc[nH]2)c(-c2ccc3c(c2)OCO3)c[nH]1,6.100015437,,
CHEMBL1356106,C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CCCC[C@@H]4[C@@H]3CC[C@@]21C,5,,
CHEMBL1356113,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CON=C2C3CCn4c(=O)n(-c5ccccc5)c(=O)n4[C@H]3[C@H](O)[C@H]3O[C@H]23)cc1,5.699991797,,
CHEMBL1356132,Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1,4.700000504,,
CHEMBL1356292,COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@]21C,5.599997654,,
CHEMBL1356302,Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(=O)NC(C)C)C2)CC1,4.700000504,,
CHEMBL1356304,CCOC(=O)OCC1C=C[C@H](c2cc(-c3ccccc3)ccc2O)C(c2ccc(C(C)=O)cc2)O1,6.500038134,,
CHEMBL1356318,CC(C)CCN1CCc2nc(COc3ccccc3)c3c(c2C1)COC(C)C3,5.199998172,,
CHEMBL1356331,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1,5.799998135,,
CHEMBL1356381,CS(=O)(=O)c1ccc(CNC(=O)C2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1,4.899998417,,
CHEMBL1356391,COC(=O)C=CCC(C)C(C=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1)NS(=O)(=O)c1ccc(C)cc1,5.599997654,,
CHEMBL1356395,O=[N+]([O-])c1cccc(C=NN=c2ccc3ccccc3[nH]2)c1O,6,,
CHEMBL1356463,CO[C@H]1COC(=O)C=CC[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)CCC[C@@H]1C,5.399996913,,
CHEMBL1356466,CC(C)CN1CCCC2(CCN(C(=O)c3ccco3)CC2)C1,4.400000186,,
CHEMBL1356617,CN1[C@H]2CC[C@@H]1CC(O)C2,4.899998417,,
CHEMBL1356628,CC(C)c1cccc2c([Si](C)(C)C)c3c(nc12)-c1cccc(=O)n1C3,5.699991797,,
CHEMBL1356630,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3c(C)noc3C)c2c1,5.900008766,,
CHEMBL1356744,COc1cccc(-c2cncnc2-n2ccnc2)c1,6.199970641,,
CHEMBL1356842,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,7.100179498,,
CHEMBL1356941,O=C(c1ccco1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1,4.800000875,,
CHEMBL1357044,CCCCCC(=O)c1cc(CC(C(=O)OC)C(=O)OC)cc2cc(OC)c(OC)cc12,5.499996932,,
CHEMBL1357085,CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1OC(C)=O,5.199998172,,
CHEMBL1357183,N=c1c2c([nH]c3ccccc13)CCC[C@H]2O,4.400000186,,
CHEMBL1357231,Cc1cccc(CN=c2cc[nH]c(-c3ccccc3Cl)n2)c1,6.100015437,,
CHEMBL1357247,CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br,5.099999035,,
CHEMBL1357252,NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1,4.899998417,,
CHEMBL1357429,c1cncc(CN=c2cc(-c3ccc4c(c3)OCO4)[nH]cn2)c1,6.500038134,,
CHEMBL1357496,CC1(C)C=C2Oc3ccccc3[C@@H](C3C(=O)CC(C)(C)CC3=O)C2C(=O)C1,4.899998417,,
CHEMBL1357498,COCC(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.700000504,,
CHEMBL1357676,O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,4.700000504,,
CHEMBL1357759,O=C(Oc1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2,5.499996932,,
CHEMBL1357770,C[C@@]12C[C@@H]3S[C@@H]3C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12,8.301029996,,
CHEMBL1357968,O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1,4.700000504,,
CHEMBL1358012,O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccccc3O1)CC2,4.650000277,,
CHEMBL1358116,C=CCOC(=O)CC=NC(=O)C=CC=CCCCCCCCC(C)O,5.499997284,,
CHEMBL1358137,Cc1ccc2ccccc2c1CSc1[nH]c(=N)nc2c1ncn2CC(C)C,5.099999035,,
CHEMBL1358247,NCC(O)CN,5.599997654,,
CHEMBL1358266,CCCc1cc2c(n1Cc1ccco1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,4.899998417,,
CHEMBL1358297,CC(=O)c1c(O)c2n(c1O)C(C)(C)[C@H]1Cc3cccc4[nH]cc(c34)[C@@H]21,4.499999679,,
CHEMBL1358359,O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1nc[nH]n1,5.099999035,,
CHEMBL1358390,CN(C)CCNCCN,5.099999035,,
CHEMBL1358449,Nc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(Cl)c1,5.499996932,,
CHEMBL1358462,CCCC=CC1C(=O)C(C)C2CC(Cc3ccccc3)(C(=O)OC)N=CC12,5.299997603,,
CHEMBL1358487,Clc1nc(=NCCc2ccccc2)c2ncn(-c3ccccc3)c2[nH]1,5.099999035,,
CHEMBL1358525,CCc1ccc2c(-c3cccc(Cl)c3)nc(=O)n(CC)c2n1,4.400000186,,
CHEMBL1358538,CC(C)N(Cc1ccccc1)S(=O)(=O)c1n[nH]c(C(C)(C)C)n1,5.399996913,,
CHEMBL1358566,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1,5.799998135,,
CHEMBL1358570,NC1C(=O)[C@]2(I)c3ccccc3N3C(N)C(=O)C4c5ccccc5N1[C@@H]4[C@@H]32,5.099999035,,
CHEMBL1358583,COC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,4.599999383,,
CHEMBL1358602,CC1CCC2C(=O)OC(CN3C(=O)c4ccccc4C3=O)CN2C1c1ccc(Br)cc1,5.499996932,,
CHEMBL1358628,COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC,6,,
CHEMBL1358708,CC(C)(C)NC(=O)C1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@H]3CC[C@@]12C,6.299988938,,
CHEMBL1358731,FC(F)(F)c1cc(CN2CC[C@@]3(CCCNC3)C2)cc(C(F)(F)F)c1,4.499999679,,
CHEMBL1358898,C[N+](C)(C)CCC(=O)c1cccc2ccccc12,4.899998417,,
CHEMBL1359351,CC(C)[C@@]1(NC(=O)C2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)C(Cc3ccccc3)N2C1=O,5.599997654,,
CHEMBL1359613,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1ccncc1)C2,5,,
CHEMBL1359713,C=CCO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl,7,,
CHEMBL1359917,COC(=O)N[C@H](c1ccccc1)[C@@]1(C)C[C@@H]1C(C)C(=O)Nc1ccc2ccccc2c1,5.399996913,,
CHEMBL1360650,CC(C(=O)NCc1ccc(C(F)(F)F)nc1)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5.299997603,,
CHEMBL1360942,O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c2nonc12,6.500038134,,
CHEMBL1361000,C[C@@H]1[C@H]2C=C[C@@H]1C(=C1c3ccc(O)c(O)c3Oc3c1ccc(O)c3O)C2C(=O)O,5.099999035,,
CHEMBL1361133,Cc1cc2c(cc1C)Nc1c(oc(-c3c[nH]c4ccc(COc5ccccc5)cc34)c1O)N2,5.099999035,,
CHEMBL1361149,O=C(c1ccco1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,4.499999679,,
CHEMBL1361226,C#CCCCON=C1C[C@@H](O)[C@@H](O)[C@@H]2c3c(c(O)n(-c4ccc(F)cc4F)c3O)CCC12,5.799998135,,
CHEMBL1361285,CC(=O)OCC1OC(C#Cc2ccccc2)C=CC1OC(C)=O,5.199998172,,
CHEMBL1361725,N#Cc1ccc(CN2CCCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1,4.899998417,,
CHEMBL1361731,C#CCOC(=O)NC(/C=C/CCCC)c1ccccc1,4.800000875,,
CHEMBL1361847,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5ccccc5C#N)cc34)c2c1,6.500038134,,
CHEMBL1361945,NCCC[C@@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCC[C@H]1N,4.400000186,,
CHEMBL1362501,CC(=O)OC(C)(C)/N=N\c1ccc(Br)cc1,5.299997603,,
CHEMBL1362562,CCC/C=C(\CCC)C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(C(=O)OC)cc1,5.799998135,,
CHEMBL1362630,CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,4.800000875,,
CHEMBL1362880,O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ncccn1)CC2,4.800000875,,
CHEMBL1363367,COc1ccc2c(c1)CN([C@H](C)[C@@H]1CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]31C)CO2,5.099999035,,
CHEMBL1364121,CCN(CCO)CCO,5.699991797,,
CHEMBL1364404,COc1ccc2nc3c(cc2c1)Cc1ccccc1-3,5.199998172,,
CHEMBL1364601,CC(=O)c1ccc(OC2C=CC(c3ccc(Cl)cc3)OC2CO)cc1,5.299997603,,
CHEMBL1364717,COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1,4.499999679,,
CHEMBL1364776,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CCN(c1ncccn1)CC2,4.599999383,,
CHEMBL1364808,O=C1C(c2ccccn2)=[N+]([O-])c2ccccc21,4.499999679,,
CHEMBL1364972,NS(=O)(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1,6,,
CHEMBL1364980,CCC[C@@H]1C[C@@]1(CCC)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1,4.700000504,,
CHEMBL1365082,O=C(O[C@@H](CCc1ccccc1)C1C=CCCC1=O)c1ccc(Br)cc1,5.499996932,,
CHEMBL1365427,N#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(S(=O)(=O)c4ccccc4)C3)C2)c1,4.400000186,,
CHEMBL1365537,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NOCC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1,5.399996913,,
CHEMBL1365553,Nc1c(S(=O)(=O)O)cc(N=C2C=CC(=Nc3nc(=Nc4ccc(S(=O)(=O)O)cc4)nc(Cl)[nH]3)C(S(=O)(=O)O)=C2)c2c(O)c3ccccc3c(O)c12,4.400000186,,
CHEMBL1365701,c1ccc(SCCc2ccncc2)cc1,5.900008766,,
CHEMBL1365712,COC(=O)C=CCC(C)C(OCc1cccc(Br)c1)C(C)C(OC)C1CCCCC1,5.599997654,,
CHEMBL1365882,C=CCC1C=CC(Oc2ccc(OC)cc2)C(COC(=O)c2ccc(Br)cc2)O1,5.399996913,,
CHEMBL1366297,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,4.899998417,,
CHEMBL1366393,COc1cccc(-c2nc(=NCc3ccccc3)c3ccccc3[nH]2)c1,5.900008766,,
CHEMBL1366413,COc1ccc2c(c1)[C@]1(C)CCC[C@](C)(CO)[C@@H]1CC2,5.099999035,,
CHEMBL1366754,O=C(Oc1ccccc1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,5.399996913,,
CHEMBL1366766,CCCNC(=O)OC[C@@H]1O[C@H](CCONC2C(=O)C(c3cccc(OC)c3)Oc3ccc(OC)cc32)C=C[C@@H]1Oc1ccc(OC)cc1,5.199998172,,
CHEMBL1367030,Oc1ccc2ccccc2c1CN(Cc1c(O)ccc2ccccc12)C1CCCCC1,5.099999035,,
CHEMBL1367656,Oc1c(C(O)(c2ccccc2)c2ccc3ccccc3c2O)ccc2ccccc12,6.100015437,,
CHEMBL1367984,C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C1,5.199998172,,
CHEMBL1368062,COc1ccc(-c2coc3ccc(O[C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)cc3c2=O)cc1,4.700000504,,
CHEMBL1368572,Nc1ccccc1S[C@@H](C[N+](=O)[O-])c1ccc2c(c1)OCO2,5.199998172,,
CHEMBL1368773,S=C(S)NCCCn1ccnc1,5.699991797,,
CHEMBL1368893,O=C(NCCc1c[nH]c2ccccc12)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5.699991797,,
CHEMBL1368895,CCCC=CC1C(=O)C(C)C2CC(CC(C)C)(C(=O)OC)N=CC12,5.499996932,,
CHEMBL136906,CCCCN1CSC(=S)N(Cc2ccccc2)C1,5.099999035,,
CHEMBL1369062,CCCC/C=C/C(NC(=O)C(C)(C)C)c1ccccc1,4.400000186,,
CHEMBL1369208,C=C(C)CNCC(=C)C,5.499996932,,
CHEMBL1369374,O=C(O)c1nc2nc(Cl)c(Cl)nc2[nH]1,6.199970641,,
CHEMBL1369414,CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1,6.199970641,,
CHEMBL1369540,C=C[C@@](C)(O)CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C,4.499999679,,
CHEMBL1369728,CCC(C)(C)c1ccc(Oc2cccc(C(=O)O)c2)cc1,5.299997603,,
CHEMBL1369855,CCCCCCCCCC[Si](C)(C)CCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1,4.400000186,,
CHEMBL1369874,CC1CCC2C(=O)OC(CN=[N+]=[N-])CN2C1c1ccc(Br)cc1,5.549999517,,
CHEMBL1370229,c1ccc2c(CSCc3cccc4ccccc34)cccc2c1,5.499996932,,
CHEMBL1370553,c1ccc(N2CCC3(CCNCC3)CC2)nc1,4.499999679,,
CHEMBL1370622,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4ccccc4Cl)n3)c2c1,6,,
CHEMBL1370805,CC(C(=O)O)=C(Cc1ccc2c(c1)OCO2)C(=O)O,5.599997654,,
CHEMBL1371156,CN1CCC(c2c[nH]c3ccc(O)cc23)CC1,4.499999679,,
CHEMBL1371160,CC(C)=NOCc1cccc(-c2cc(-c3ccccc3)no2)c1,5.399996913,,
CHEMBL1371311,c1ccc2nc(CC[C@@H]3CCCCN3)ccc2c1,5.399996913,,
CHEMBL1371444,Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314,4.499999785,,
CHEMBL1371547,C[C@@H]1Oc2ccc(C(=O)CC(C(=O)O)c3ccc4c(c3)OCO4)cc2O1,5.199998172,,
CHEMBL1371572,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)OC)cc1,5.499996932,,
CHEMBL1371604,C[C@H]1CCC2C(=O)NC(Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1,5.499996932,,
CHEMBL1371696,Sc1ccc2ccccc2c1CNCc1ccccc1,5.499996932,,
CHEMBL1371698,ON(CCc1ccncc1)Cc1ccccc1,5.399996913,,
CHEMBL1371781,CCCCCCC/C=C\CCCCCCCCC(=O)O,4.400000186,,
CHEMBL1371789,COc1ccc2oc(-c3ccc(O)cc3)cc(=O)c2c1,5.599997654,,
CHEMBL1371838,O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N1,6.400007822,,
CHEMBL1371947,CC(CO)(CO)N=Cc1cc(I)cc(I)c1O,5.199998172,,
CHEMBL1372088,COc1ccc(OC[C@@H](CO)OC)cc1,6.7000571,,
CHEMBL1372106,OCCSCc1cc(Cl)cc(Cl)c1O,5.399996913,,
CHEMBL1372198,CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,5.499996932,,
CHEMBL1372282,N#Cc1c(NC(=O)C(F)(F)F)sc2c3c(=O)c4ccccc4c(=O)c=3oc3ccccc3c12,7.300162274,,
CHEMBL137246,O=C(CSc1nc2ccccc2s1)c1sc2sc3ccccc3[n+]2c1O,5.199998172,,
CHEMBL1372850,CC(=NN=c1ccc2ccccc2[nH]1)c1ccccc1O,5.599997654,,
CHEMBL1373139,O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.499999679,,
CHEMBL1373151,CCCC/C=C/C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,5.699991797,,
CHEMBL1373326,CN(Cc1ccco1)c1ccnc(-c2cccc(C#N)c2)n1,6.199970641,,
CHEMBL1373464,O=C(NCc1ccccn1)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.400000186,,
CHEMBL1373523,O=C(O)C(O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1,5.499996932,,
CHEMBL1373567,CN1CC[C@]2(C)c3cc(O)ccc3N(C)[C@@H]12,4.899998417,,
CHEMBL1373587,CN(C)S(=O)(=O)c1ccc(N=c2ccc(=O)c3c(O)c4c(=O)ccc(=[N+]([O-])O)c4c(O)c23)cc1,5.499996932,,
CHEMBL1373818,CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)C(N)CCCCN,5,,
CHEMBL1373954,CC(=O)c1ccc(O)c(CN(C2CCCCC2)C2CCCCC2)c1O,5.399996913,,
CHEMBL1373998,CCCn1cnc2c(SCc3ccc(Cl)cc3)[nH]c(=N)nc21,5.199998172,,
CHEMBL1374334,Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCOC(=O)c1ccccc1,5.499996932,,
CHEMBL1374501,O=C(O)NCc1ccccc1,5.399996913,,
CHEMBL1374544,CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12,5.900008766,,
CHEMBL1374610,O=c1cc(-c2ccc(O)cc2O)oc2ccccc12,5.299997603,,
CHEMBL1374696,CCCC/C=C/C(NC(=O)Oc1cccc(C(F)(F)F)c1)c1ccccc1,5.099999035,,
CHEMBL1374760,COC(=O)C=CCC(C)C(C=NOCC[C@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)NS(=O)(=O)c1ccc(C)cc1,5.299997603,,
CHEMBL1374799,C=CCOC(=O)C(C(C)=O)C(NC(=O)OC)c1ccc(Cl)cc1,5.499996932,,
CHEMBL1374863,CCC/C=C(\CCC)C(NC(=O)CCc1ccccc1)c1ccc(C(F)(F)F)cc1,5,,
CHEMBL1375127,O=C(O)C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1,7.698970004,,
CHEMBL1375214,Cc1ccc(/C=C/C2=CC3(C)CC2(C)C(c2ccc(C)cc2)CC3=O)cc1,5.399996913,,
CHEMBL1375469,CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,5.549997293,,
CHEMBL1375480,CCn1c(O)c2c(c1O)[C@@H]1C(CC2)C(=NOCc2ccccc2)C[C@@H](O)[C@H]1O,5.599997654,,
CHEMBL1375723,COc1cccc(C2Oc3ccc(OC)cc3C(NOC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)C2=O)c1,5.399996913,,
CHEMBL1375727,Cc1ccc(C(=O)C2[C@@H]3C(C(=O)C4OC[C@H]3O4)[C@@H]3C=Cc4ccccc4N23)cc1,5,,
CHEMBL1375967,COc1ccc(Cc2ccccc2C(=O)O)c2ccccc12,5.399996913,,
CHEMBL1376005,CC(C)[C@@H]1O[C@H](/C=C\c2ccccc2)OCC1(C)C,5.499996932,,
CHEMBL1376178,O=C(O)c1cccc(SSc2cccc(C(=O)O)c2)c1,5.699991797,,
CHEMBL1376572,COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(Oc4ccccc4)nc32)cc1,4.899998417,,
CHEMBL1376723,N#CC(C#N)=CC(=N)C(C#N)c1cc(O)c(O)c(O)c1,4.499999679,,
CHEMBL1376736,c1ccc(-c2cccc(N3CCCC4(CCNCC4)C3)c2)cc1,4.400000186,,
CHEMBL1376952,NCCSCc1ccccc1Cl,5.399996913,,
CHEMBL1378043,O=C(O)c1cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)c5cc(Cl)ccc5n4)cc3)cc2)nc2ccc(Cl)cc12,5.499996932,,
CHEMBL1378758,C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccccn1,5.399996913,,
CHEMBL1378800,CO[C@@H]1/C=C\O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(=CN5CCN(C)CC5)c(O)c4c3C2=O)=NC(=O)C(C)CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C,5.199998172,,
CHEMBL13790,N=C(N)N=C(N)Nc1cccc(Cl)c1,4.400000186,,
CHEMBL1380212,Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)[C@]1(C)C[C@H]1C(C)C(=O)Nc1ccc2ccccc2c1,5.199998172,,
CHEMBL13828,O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,5.099999035,,
CHEMBL1393893,Cc1ccc(S(=O)(=O)OCC2CN3C(CCC(C)C3c3ccc(Br)cc3)C(=O)O2)cc1,5.499997284,,
CHEMBL1394048,CC1CCC2C(=O)OC(CO)CN2C1c1ccc(Br)cc1,5.399996913,,
CHEMBL1394095,COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N(C)C)nc32)cc1,4.599999383,,
CHEMBL1394187,CCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)NC(C)=O,5.499996932,,
CHEMBL1394199,CC(=O)OC[C@@H]1O[C@@H](ON=C2C[C@@H](O)[C@@H](O)[C@@H]3c4c(c(O)n(C(C)(C)C)c4O)CCC23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,6.89997427,,
CHEMBL1394594,CC(C)C1NC(=O)C(CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O,4.599999383,,
CHEMBL1394626,C[C@@H](c1ccccc1)n1c(O)c2c(c1O)[C@H]1C(CC2)C(=O)C[C@@H](O)[C@H]1O,6.89997427,,
CHEMBL1394719,CC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2,4.599999383,,
CHEMBL1394728,C#CCCCON=C1C2CCn3c(=O)n(Cc4cc5c(cc4Cl)OCO5)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12,6.599980365,,
CHEMBL1394756,CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1,4.900000437,,
CHEMBL1394766,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)cc1,5.499996932,,
CHEMBL1394855,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1,5.499996932,,
CHEMBL1394934,CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,4.800000875,,
CHEMBL1395088,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1,4.800000875,,
CHEMBL1395089,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccc(C(=O)N(C)C)cc3)c2c1,6.400007822,,
CHEMBL1395107,CN=c1cc[nH]c(-c2c(C)noc2C)n1,6.199970641,,
CHEMBL1395138,C=COCC1CN2C(CCC(C)C2c2ccc(Br)cc2)C(=O)O1,5.499996932,,
CHEMBL1395165,COc1ccc(CNC(=O)C2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC,4.599999383,,
CHEMBL1395196,C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@H]2O,5.149998903,,
CHEMBL1395235,Cc1cc(C)cc(/C=C/C2OCC(O)C2Oc2ccc(C3CCCC3)cc2)c1,5.399996913,,
CHEMBL1395252,COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccc4ccccc4c3)CC2)C1=O,4.499999679,,
CHEMBL1395275,OC1c2ccccc2-c2nc3ccccc3cc21,4.599999383,,
CHEMBL1395421,CC1(C)CO[C@H](CC(=O)O)CN1,4.400000186,,
CHEMBL1395429,O=C(c1ccco1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.899998417,,
CHEMBL1395430,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ccncc1)C2,5.399996913,,
CHEMBL1395499,CCOc1ccccc1/C=C(\C#N)C(N)=O,5.499996932,,
CHEMBL1395527,CN(C)C(=O)c1ccc(-c2cc(=Nc3ccccc3)[nH]cn2)cc1,5.900008766,,
CHEMBL1395634,Cc1cc2c(nc1C)CCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21,5.499997284,,
CHEMBL1395839,CN(C)c1cccc(OC2C=CC(C#Cc3ccccc3)OC2CO)c1,8.102372909,,
CHEMBL1395869,CON=C(C)CCC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1,5.399996913,,
CHEMBL1395992,C=CC[C@@H]1C=C[C@H](ONC2C(=O)C(c3cccc(OC)c3)Oc3ccc(OC)cc32)[C@H](CO)O1,6.400007822,,
CHEMBL1396015,CCOC(=O)OCC1OC(c2ccccc2)C=CC1OC(=O)OCC,5.499996932,,
CHEMBL1396090,O=C(c1ccco1)N1CCC2(CC1)CN(c1ccccc1)C2,4.599999383,,
CHEMBL1396236,COc1ccc2c(c1)Cc1cc(/N=[N+](\[O-])c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2,5.799998135,,
CHEMBL1396261,COc1ccccc1-c1c[nH]cnc1=NCCc1c[nH]cn1,6.299988938,,
CHEMBL1396302,N=c1[nH]c(=Nc2ccccc2)[nH]c2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O,6.100015437,,
CHEMBL1396546,CC(=O)CC(=O)[C@@]1(O)CC[C@@H]2C3=CC(C)=C4CC(=O)CCC4[C@H]3CC[C@]21C,4.899998417,,
CHEMBL1396577,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1,5.199998172,,
CHEMBL1396583,O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,4.400000186,,
CHEMBL1396630,C=CCC1C=CC(Oc2ccc(F)cc2C)C(CO)O1,5.399996913,,
CHEMBL1396759,C[C@@H]1CCC2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1,5.499996932,,
CHEMBL1396784,O=CN1CC2C[C@H](C1)Cn1c2cccc1=O,4.499999679,,
CHEMBL1396791,O=C(C(O)C(O)C(O)O)[C@@H](O)c1nc2ccccc2s1,5.499996932,,
CHEMBL1396867,CO[C@H]1COC(=O)C(C)NC(=O)C(C)COC(=O)C2CCCN2C(=O)C=CC[C@H]1C,5.099999035,,
CHEMBL1396898,COc1ccccc1-c1cc(=NCc2ccccc2)[nH]cn1,5.900008766,,
CHEMBL1397106,COC(=O)C=CCC(C)C(C=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)NS(=O)(=O)c1ccc(C)cc1,5.599997654,,
CHEMBL1397209,COC(=O)C(CCSC)=NC(=O)CCC[C@@H](C)CO,7,,
CHEMBL1397218,NCC[Se][Se]CCN,6.500038134,,
CHEMBL1397283,CCCCOC(OCCCC)[C@H](O)CSc1ccc2ccccc2c1,5.699991797,,
CHEMBL1397466,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@@H]2[C@@H]3CC=C4CC(=O)C=C[C@@]4(C)[C@H]3[C@H](O)C[C@]21C,4.899998417,,
CHEMBL1397595,O=S(=O)(c1ccccc1)N1CCC2(CCN(C(c3ccccc3)c3ccccc3)CC2)CC1,6.299988938,,
CHEMBL1397596,O=C(c1ccco1)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,4.400000186,,
CHEMBL1397634,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CONC2C(=O)C(c3cccc(OC)c3)Oc3ccc(OC)cc32)cc1,5.499996932,,
CHEMBL1397711,O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1,4.400000186,,
CHEMBL1397752,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,5,,
CHEMBL1397782,CCc1cccc2nc3c(c([Si](CC)(CC)CC)c12)Cn1c-3cccc1=O,5.099999035,,
CHEMBL1397882,CCCC[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O,5.599997654,,
CHEMBL1397902,O=C(O)/C(=C\c1ccncc1)c1cccc2ccccc12,5.499996932,,
CHEMBL1398022,O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3cccc4ccccc34)c(S(=O)(=O)O)cc2c1,5.099999035,,
CHEMBL1398138,Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2cc3ccccc3c3ccccc23)cc1,5.799998135,,
CHEMBL1398216,CC(=O)OC[C@@H]1O[C@H](CC=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)C=C[C@@H]1OC(C)=O,5.499996932,,
CHEMBL1398237,CN(C)C1C(=O)C(C(N)=O)C(=O)[C@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,5.299997603,,
CHEMBL1398319,NS(=O)(=O)c1ccc(N=Nc2ccc[nH]c2=O)cc1,5.499996932,,
CHEMBL1398321,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)c(O)c2ccccc2c1O,5.299997603,,
CHEMBL1398351,CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,4.800000875,,
CHEMBL1398488,CC(C)NC(=O)N1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1,4.599999383,,
CHEMBL1398518,CC(C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C)=CC(=O)Nc1ccc(O)cc1,5.099999035,,
CHEMBL1398538,O=C(O)c1cccc(N=Nc2c(S(=O)(=O)O)ccc3c2C(=O)c2ccccc2C3=O)c1O,6.599980365,,
CHEMBL1398600,O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1ccc(-c2ccccc2)cc1,5.499996932,,
CHEMBL1398608,Cc1cc(SCC(=O)c2ccc(Br)cc2)cc(C)[o+]1,5.599997654,,
CHEMBL1398636,CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc([N+](C)(C)C)cc1)c1ccccc1-2,5.499996932,,
CHEMBL1398834,CS(=O)(=O)N1CCC2(CC1)CN(Cc1nccs1)C2,5,,
CHEMBL1398878,COc1ccc(OC2C(O)COC2/C=C/c2ccccc2)cc1,5.549997293,,
CHEMBL1399058,O=C(c1ccncc1)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2,5.299997603,,
CHEMBL1399066,O=C1CCC(c2ccccc2)(c2ccccc2)CC1,5.199998172,,
CHEMBL1399511,C=CCSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1,6.89997427,,
CHEMBL1399528,COc1cccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)c1,5.900008766,,
CHEMBL1399619,O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2-c1ccc2ccccc2c1,5.799998135,,
CHEMBL1399922,CNCC/C=C\c1cccnc1,4.400000186,,
CHEMBL1399994,Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O,5.099999035,,
CHEMBL1400238,CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21,5.799998135,,
CHEMBL1400521,CC(C)C[C@@H](CC(=O)N[C@H](CC(=O)N[C@@H]1CCNCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)C(C)C)NC(=O)C1CCCC[C@H]1N,4.599999383,,
CHEMBL1400667,O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1,4.400000186,,
CHEMBL1401324,c1ccc(N2CCN(CCCOc3ccc4c(c3)OCO4)CC2)cc1,4.899998417,,
CHEMBL1401483,O=C(Oc1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,4.400000186,,
CHEMBL1401520,C[C@@]1(O)CCOC(=O)C1,4.899998417,,
CHEMBL1401627,O=C(/C=C\c1ccc2c(c1)OCO2)c1ccc(F)cc1,5.799998135,,
CHEMBL1402049,NCCSc1nc2ccccc2s1,5.799998135,,
CHEMBL1402106,Nc1[nH]c(=S)[nH]c(=O)c1N=Nc1c(Br)cc(S(N)(=O)=O)cc1Br,5.799998135,,
CHEMBL140220,COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1,4.400000186,,
CHEMBL1402656,CC(C)c1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O,4.400000186,,
CHEMBL1403154,C=C(C)C=Cc1c(OCC(=O)O)c(O)c2ccccc2c1O,5.399996913,,
CHEMBL1403333,CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12,6.100015437,,
CHEMBL1403388,O=C(c1cc(Br)ccc1O)c1cc(Br)ccc1O,7,,
CHEMBL1403892,COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,5.699997894,,
CHEMBL1404451,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4cccnc4)n3)c2c1,6.100015437,,
CHEMBL1404490,CC(=O)C1[C@@H]2[C@H]3COC(O3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12,4.499999679,,
CHEMBL1404598,Cc1ccccc1-c1c[nH]cnc1=NCCc1c[nH]cn1,6,,
CHEMBL1404630,COc1c(NC(C)=O)c2ccccc2c2ccccc12,5.599997654,,
CHEMBL1404660,O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,5.799998135,,
CHEMBL1405325,Cc1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1,5.299997603,,
CHEMBL1406082,CN(C)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12,6,,
CHEMBL1406556,O=S1(=O)CCN(c2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)CC1,5.499996932,,
CHEMBL1406764,O=Cc1ccc(OC2C=CC(C#Cc3ccccc3)OC2CO)cc1,5.599997654,,
CHEMBL1406851,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3cccc(NS(C)(=O)=O)c3)c2c1,6.400007822,,
CHEMBL1407011,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1,4.800000875,,
CHEMBL1407527,O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,5.099999035,,
CHEMBL1407576,CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC(C)=C4CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@]21C,5.099999035,,
CHEMBL1407943,Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1,4.599999383,,
CHEMBL1407962,CCN(CC)COC(=S)S,5.599997654,,
CHEMBL1408138,Cn1c(Sc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1,5.399996913,,
CHEMBL1408334,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1,6.599980365,,
CHEMBL1408347,CN1[C@H](c2ccccc2)CC(=NO)C[C@@H]1c1ccccc1,5.799998135,,
CHEMBL1408520,CCC=CC(CCC)C(NC(=O)OCC(C)C)c1ccc(C(=O)OC)cc1,5.399996913,,
CHEMBL1408604,N=c1[nH]c(Cc2cccc(C(F)(F)F)c2)c(-c2cccc(C(F)(F)F)c2)c(=N)[nH]1,5.299997603,,
CHEMBL1408703,N#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)c4cccc(F)c4)CC3)C2)c1,4.499999679,,
CHEMBL1408760,O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccncc1)CC2,4.700000504,,
CHEMBL1409046,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,5.199998172,,
CHEMBL1409074,COc1ccc(OC)c(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)c1,5.499996932,,
CHEMBL1409109,CC[C@H]1C2=C3C(CC[C@H]4C(OC)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)C(CO)C1CO,4.599999383,,
CHEMBL1409261,CCCC[C@@H]1C[C@H]1C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(-c2ccccc2)cc1,5.499996932,,
CHEMBL1409547,COc1ccc2nc3c(c(-c4ccccc4)c2c1)CCC3,4.899998417,,
CHEMBL1409720,COc1cccc(C2Oc3ccc(Br)cc3C(=O)C2O)c1,5.599997654,,
CHEMBL1409961,O=[N+]([O-])c1ccc(CSCc2ccc(Cl)cc2)cc1,5.099999035,,
CHEMBL1410016,C#CCCCON=C1C[C@@H](O)[C@@H](O)[C@@H]2c3c(c(O)n(-c4cccc(Oc5ccccc5)c4)c3O)CCC12,5.699991797,,
CHEMBL1410367,CCCCC#Cc1ccccc1CC(=O)Nc1ccccc1,5.599997654,,
CHEMBL1410398,C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1,5.199998172,,
CHEMBL1410399,CN(C)CN1CSC(=S)N(CN(C)C)C1,5.499996932,,
CHEMBL1410420,NS(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,5.399996913,,
CHEMBL1410602,Nc1cc(S(=O)(=O)O)cc2ccc(S(=O)(=O)O)cc12,5.099999035,,
CHEMBL1410671,C=C1C(=O)O[C@H]2C[C@@]3(C)CCCC(=C)[C@@H]3C[C@H]12,4.400000186,,
CHEMBL1410759,N=c1[nH]c(Cc2ccccc2)nc(Cc2ccccc2)c1-c1ccccc1,5.499996932,,
CHEMBL1410804,c1ccc2c(c1)OCC(C1=NCCN1)O2,4.499999679,,
CHEMBL1410877,Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,6.500038134,,
CHEMBL1410910,OC(Cc1ccccc1)(Cc1ccccc1)c1ccccc1,5.699991797,,
CHEMBL1411164,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1411314,O=C(O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O,5.299997603,,
CHEMBL1411360,COc1ccc2c(Cc3c4ccccc4cc4ccccc34)cncc2c1O,8.397940009,,
CHEMBL1411411,COC(=O)C1=C(C)N(Cc2ccccc2)C2=C3C(=O)N(c4ccccc4)C(=O)C3[C@@](O)(C(=O)OC)C(=O)N2C1c1ccccc1,6.20002345,,
CHEMBL1411519,COC(=O)C1CC1C(NC(=O)C1CCCCN1)c1ccccc1,4.700000504,,
CHEMBL1411578,C[C@H]1C2=C3C(CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)C(CO)C1CO,4.400000186,,
CHEMBL1411581,COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2,5.900008766,,
CHEMBL1411808,CC(C)c1ccc(C(O)(C(=O)O)c2ccc(C(C)C)cc2)cc1,5.399996913,,
CHEMBL1411979,CN(C)CCN(Cc1cccs1)c1ccccn1,4.400000186,,
CHEMBL1412163,COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C,6.100015437,,
CHEMBL1412390,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4cccc(C#N)c4)n3)c2c1,5.900008766,,
CHEMBL1412477,O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc2c3ccccc3ccc2c2ccccc12,6.500038134,,
CHEMBL1412825,c1ccc2c(c1)Cc1cc3ccccc3nc1-2,5,,
CHEMBL1412900,O=C(NCc1nc2ccccc2[nH]1)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.899998417,,
CHEMBL1413109,N=c1[nH]c(=N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,4.400000186,,
CHEMBL1413165,CC(C(=O)NCc1cccc2ccccc12)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1413343,FC(F)(F)c1ccccc1-c1nc(=NCCN2CCOCC2)cc[nH]1,6.299988938,,
CHEMBL1413637,CCCC/C=C/C(NC(=O)OCc1ccccc1Cl)c1ccccc1,4.800000875,,
CHEMBL1413701,CCC[C@@H]1C[C@@]1(CCC)C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(Cl)cc1,5.099999035,,
CHEMBL1413858,C[Si](C)(C)C#Cc1ccccc1NC(=S)Nc1ccccc1,4.800000875,,
CHEMBL1414185,CC(C)=C[C@H]1C(C(=O)OCc2cc3c(cc2Cl)OCO3)C1(C)C,5.499996932,,
CHEMBL1414232,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1,4.400000186,,
CHEMBL1414452,CN(C)[C@@H]1C(=O)C(C(N)=O)C(=O)[C@]2(O)C(O)c3c(c(O)c4c(Cl)ccc(O)c4c3O)C[C@@H]12,5,,
CHEMBL1414477,CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)c1cn([C@H]2COC[C@H]2O)nn1,5.799998135,,
CHEMBL1414993,O=C(CON1C(=O)c2ccccc2C1=O)c1ccccc1,5.199998172,,
CHEMBL1415053,CCn1c(O)c2c(c1O)[C@H]1C(=CC2)C2(OCCCO2)[C@H]2O[C@@H]2[C@H]1O,5.299997603,,
CHEMBL1415100,COc1ccc2c(Cl)cc(=NC(=S)Nc3ccccc3)[nH]c2c1,5.399996913,,
CHEMBL1415616,O=C1C=C/C(=N/c2cccc3c(/N=C4\C=CC(=O)O4)cccc23)O1,5.199998172,,
CHEMBL1415728,O=C(c1ccco1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1,5.299997603,,
CHEMBL1415777,CC(=O)C1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,5.699991797,,
CHEMBL1416009,O=c1[nH]c2[nH]c(=S)[nH]c(=S)c2[nH]1,5.900008766,,
CHEMBL1416055,O[C@@H](Cc1ccncc1)C(Cl)(Cl)Cl,5,,
CHEMBL1416204,C[C@H](N)Cc1c[nH]c2ccc(O)cc12,5,,
CHEMBL1416389,N=C(N)SCc1ccc(Cl)cc1Cl,5.099999035,,
CHEMBL1416639,COc1ccc(-n2c(=O)c(-c3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)cc1,4.499999679,,
CHEMBL1417140,Cc1cccc(CN=c2cc(-c3cccc(NS(C)(=O)=O)c3)[nH]cn2)c1,6.299988938,,
CHEMBL1417333,C=CCC1(c2ccccc2)Oc2ccccc2-c2nc3cc(Cl)c(Cl)cc3nc21,5.299997603,,
CHEMBL1417375,OC(Cc1cccnc1)(c1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1417771,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccc4c(c3)OCO4)c2c1,6.299988938,,
CHEMBL1418094,C=c1c(Nc2c(C)cc(O)cc2O)c(O)cc2oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(=C)c3c12,5.499996932,,
CHEMBL1418097,O=[N+]([O-])c1cccc(/C=N\N=C2C=CS(=O)(=O)C2)c1,5.199998172,,
CHEMBL1418190,COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1,4.400000186,,
CHEMBL142588,COc1cc2ccc(=NC(C)=O)c3c(c2c(OC)c1OC)CCC(=O)C(O)C3,4.800000875,,
CHEMBL14276,COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cccnc3)c1)CC2,5.550007719,,
CHEMBL1433276,C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)[N+](C)(C)C,4.400000186,,
CHEMBL1433436,CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC=C5CC(=O)C=C[C@@]5(C)[C@H]4[C@H](O)C[C@@]3(C)[C@@]2(C(=O)CO)O1,4.599999383,,
CHEMBL1433485,Cc1cc(F)ccc1OC1C=CC(c2ccc3c(c2)OCO3)OC1CO,5.499996932,,
CHEMBL1433726,CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(C(F)(F)F)cc3)C21,4.599999383,,
CHEMBL1433752,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5ccoc5)cc34)c2c1,6.400007822,,
CHEMBL1433939,N=C(CSS(=O)(=O)O)N[C@@H]1C[C@H]2CC[C@@H]1C2,5.099999035,,
CHEMBL1434006,CS(=O)(=O)Nc1cccc(-c2cc(=NCc3cccs3)[nH]cn2)c1,6.100015437,,
CHEMBL1434098,COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccc(-c4ccccc4)cc2)C3)cc1,4.700000504,,
CHEMBL1434149,S=C(Nc1ccccc1)Nc1ccccc1C#Cc1ccccc1,5.399996913,,
CHEMBL1434447,CC(=O)OCC1OC(c2ccc3c(c2)OCO3)C=CC1OC(C)=O,5.299997603,,
CHEMBL1434452,CC1CCC2C(=O)N3C(CCC(C)[C@H]3c3cccc(N4CCCC4=O)c3)C(=O)N2C1c1cccc(N2CCCC2=O)c1,5.599997654,,
CHEMBL1434747,Cc1noc(C)c1-c1nc(=NC2CC2)cc[nH]1,7,,
CHEMBL1434821,COc1cc(N=Nc2cccc(S(N)(=O)=O)c2)c2ccccc2c1N,5.499996932,,
CHEMBL1435200,C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@H]4[C@H]3CC[C@]21C,4.800000875,,
CHEMBL1435276,COC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.499999679,,
CHEMBL1435288,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](O)COCc2ccco2)cc1,5.399996913,,
CHEMBL1435381,CCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC,4.800000875,,
CHEMBL1435409,Cc1ccccc1-c1ccc2ncnc(-n3ccnc3)c2c1,6.100015437,,
CHEMBL1435422,CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,4.800000875,,
CHEMBL1435447,Cc1cnc(CN=c2[nH]cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)cn1,6.299988938,,
CHEMBL1435509,O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1,5.900008766,,
CHEMBL1435604,O=C(c1cnccn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,5,,
CHEMBL1435638,COc1cccc(-c2nc(=NCCc3c[nH]c4ccc(OC)cc34)c3ccccc3[nH]2)c1,6.100015437,,
CHEMBL1435654,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1,5.599997654,,
CHEMBL1435692,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F,4.800000875,,
CHEMBL1435727,C=CCOC(=O)C(C(C)=O)C(NC(=O)OC)c1cccc(F)c1,6,,
CHEMBL1435765,COc1ccc(-c2ccccc2C2NC(C(=O)O)CCC2C)cc1,5.499996932,,
CHEMBL1435834,CCC=CC(CCC)C(NC(=O)Oc1ccc(F)cc1)c1ccc(C(=O)OC)cc1,4.400000186,,
CHEMBL1435902,COCC#Cc1ccc(C2C(C)CCC3C(=O)N4C(CCC(C)C4c4ccc(C#CCOC)cc4)C(=O)N32)cc1,5.099999035,,
CHEMBL1435908,CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1,5.399996913,,
CHEMBL1436228,CC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2,4.599999383,,
CHEMBL1436478,NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CC1CCCC1)NS2(=O)=O,5.900008766,,
CHEMBL1436506,CC(C)[C@@]1(NC(=O)C2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)CN2C1=O,5.199998172,,
CHEMBL1436578,C(#CC1C=CC2OC(c3ccccc3)OCC2O1)c1ccccc1,5.900008766,,
CHEMBL1436761,Cn1cccc1C(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2,4.800000875,,
CHEMBL1436817,CC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.499999679,,
CHEMBL1436997,C=CCOC(=O)C(C(C)=O)C(NC(=O)OC)c1cccc(C)c1,5.399996913,,
CHEMBL1437047,CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)O[C@@]3(C)CC[C@H]12,4.400000186,,
CHEMBL1437054,CC1=CC(=C(c2ccc(O)c(C)c2)c2ccccc2C(=O)O)C=CC1=O,8,,
CHEMBL1437088,c1cc(N2CCCC3(CCNCC3)C2)ccn1,4.599999383,,
CHEMBL1437090,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@@H](NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[C@H]1N)C(C)C,4.400000186,,
CHEMBL1437128,COc1ccc(NC(=O)CCCCC#Cc2ccccc2)cc1,5.099999035,,
CHEMBL1437142,C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@H]2O,5.399996913,,
CHEMBL1437325,O=C(Oc1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1,4.899998417,,
CHEMBL1437408,CCC/C=C(\CCC)C(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)c1ccc(C(=O)OC)cc1,4.800000875,,
CHEMBL1437436,Cn1c(=O)c2[nH]c(SCc3ccccn3)nc2n(C)c1=S,5.499996932,,
CHEMBL1437488,CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3,4.400000186,,
CHEMBL1437541,CC1CCC2C(=O)N3C(CCC(C)[C@@H]3c3ccc(Br)cc3)C(=O)N2C1c1ccc(Br)cc1,5.499996932,,
CHEMBL1437661,CS(=O)(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2,5.099999035,,
CHEMBL1437771,CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN)CCC[C@@]21C,4.800000875,,
CHEMBL1437777,CCOC(=O)NN=C1C[C@@H](O)[C@@H](O)[C@@H]2c3c(c(O)n(-c4cccc(Oc5ccccc5)c4)c3O)CCC12,5.399996913,,
CHEMBL1437847,Nc1ccc(S(=O)(=O)N=c2cnc3ccccc3[nH]2)cc1,5.399996913,,
CHEMBL1437990,N=c1nc(SCCc2ccccc2)c2[nH]cnc2[nH]1,5.399996913,,
CHEMBL1437996,COCOc1cc(OC)ccc1C(=O)/C=C\c1ccc2c(c1)OCO2,5.599997654,,
CHEMBL1438138,COC(=O)NC(c1cccs1)C(C(=O)OC)C(C)=NCc1ccccc1,5.099999035,,
CHEMBL1438163,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](O)[C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)cc1,5.599997654,,
CHEMBL1438268,CC(=O)C1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3C(=O)C[C@@]12C,4.400000186,,
CHEMBL1438313,O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@H]1O,4.599999383,,
CHEMBL1438323,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5cccnc5)cc34)c2c1,6,,
CHEMBL1438440,CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=CC(C)=C4CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C,4.899998417,,
CHEMBL1438690,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3cccc(C#N)c3)c2c1,6.299988938,,
CHEMBL1438916,N#C/C(=C\N1CCNC1=S)C(=O)c1ccc2ccccc2c1,5.499996932,,
CHEMBL1439126,Cc1cc(Cl)ccc1OCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,5.799998135,,
CHEMBL1439400,COc1ccc(OC2C(O)COC2/C=C/C#Cc2ccc(F)cc2F)cc1,5.599997654,,
CHEMBL1440145,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)NCc2cccc3ccccc23)cc1,5.599997654,,
CHEMBL1440256,CC(C)[C@]1(NC(=O)C2=CC3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)C(Cc3ccccc3)N2C1=O,5.099999035,,
CHEMBL1440376,COc1ccc(C[C@H]2NC[C@H](O)[C@@H]2OC(C)=O)cc1,4.899998417,,
CHEMBL1440534,O=c1n(Cc2cc3c(cc2Cl)OCO3)c(=O)n2n1CCC1C(=NOCc3ccccc3)C3O[C@@H]3[C@@H](O)[C@@H]12,6.400007822,,
CHEMBL1440629,NC1(C(=O)O)CC(C(=O)O)C(C(=O)O)C1,5.199998172,,
CHEMBL1440842,Clc1ccccc1NN(Cc1ccncc1)c1ccccc1Cl,5.799998135,,
CHEMBL1441136,CC(C)(C)c1ccc(S(=O)(=O)/C=C\C#N)cc1,5.349998344,,
CHEMBL1441222,N=c1nc(SC/C=C\c2ccccc2)c2[nH]cnc2[nH]1,5.399996913,,
CHEMBL1441593,Cc1cc(C)cc(C(=N)c2ccccc2Cc2cccc3ccccc23)c1,5.900008766,,
CHEMBL1441649,COc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,4.400000186,,
CHEMBL1442011,CN1CCN(c2ncncc2-c2ccc(N(C)C)cc2)CC1,7.500312917,,
CHEMBL1442459,CC(=O)O/C(=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O)C(F)(F)F,5.499996932,,
CHEMBL1442462,C=CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1,4.499999679,,
CHEMBL1442770,CC[C@H]1C2=C3C(CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)C2COC(=O)OCC21,4.700000504,,
CHEMBL1442851,NC(C(=O)O)C1CC1C(=O)O,4.400000186,,
CHEMBL1443376,CCCCN1CCC[C@@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC,4.400000186,,
CHEMBL1443585,CC(C)[C@@H](CC(=O)N[C@@H]1CCCCC1C(=O)N[C@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C[C@H](Cc1ccccc1)NC(=O)C1CNCC[C@H]1N,5.199998172,,
CHEMBL1443628,O=C(CC(=O)c1ccncc1)c1ccccc1,5.699991797,,
CHEMBL1444141,CC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1,5.599997654,,
CHEMBL1444270,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3CC2CN1C(=O)c1ccccc1,5.399996913,,
CHEMBL1444367,Cn1cccc1C(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,4.400000186,,
CHEMBL1444652,Cc1cc(SCC(=O)c2ccccc2)nc2ccccc12,5.699991797,,
CHEMBL1444997,O=C(O)C(S)C(S)C(=O)O,5.399996913,,
CHEMBL1445399,O=C(O)CCC/C=C\C[C@@H]1CO[C@H](C(F)(F)F)O[C@@H]1c1ccccc1O,4.700000504,,
CHEMBL1445440,Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,4.599999383,,
CHEMBL1445792,COc1ccc(OC2C=CC(C#Cc3ccc(F)cc3F)OC2CO)cc1,7.698970004,,
CHEMBL1445834,NC12CC3CC(CC(C3)C1)C2,4.700000504,,
CHEMBL1446716,Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,7.698970004,,
CHEMBL1446731,CN(Cc1ccccc1)Cn1ccnc1,5.599997654,,
CHEMBL1446743,CCO[C@H]1O[C@@H]([C@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O,5,,
CHEMBL1446968,COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1,4.699999048,,
CHEMBL1447147,CC(=O)c1ccc(OCc2ccccc2)c(C)c1O,5.699991797,,
CHEMBL1447233,O=C1CS[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1,4.800000875,,
CHEMBL1447317,CCS(=O)(=O)N1CCC[C@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@@H]21,4.499999679,,
CHEMBL1447333,CCCCSCc1nc2nc(Cl)c(Cl)nc2[nH]1,6.299988938,,
CHEMBL1447538,COc1cccc(C2Oc3ccc(OC)cc3C(NO[C@@H](C)c3cn([C@H](CO)Cc4ccccc4)nn3)C2=O)c1,5.599997524,,
CHEMBL1447651,CCCCC#Cc1nc(=N)c2ncn([C@@H]3OC(C(=O)NCC)[C@H](O)[C@@H]3O)c2[nH]1,4.599999383,,
CHEMBL1447746,Cn1c(=O)c2[nH]c(SCCN3CCOCC3)nc2n(C)c1=S,5.199998172,,
CHEMBL1447946,Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2,5,,
CHEMBL1448,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,5.899984147,,
CHEMBL1448192,OCC1OC(c2ccc3c(c2)OCO3)C=CC1Oc1cc(Cl)cc(Cl)c1,5.399996913,,
CHEMBL1448552,Cc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1,5.499996932,,
CHEMBL1448728,COCCn1c(=O)c(-c2ccccc2)nc2c[nH]c(=Nc3ccccc3)nc21,4.899998417,,
CHEMBL1448859,C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)C(C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12,4.899998417,,
CHEMBL1448896,O=[N+]([O-])c1ccc(N=c2[nH]c3ccccc3s2)cc1,5.900008766,,
CHEMBL1448979,CO[C@]1(C2=NCCN2)COc2ccccc2O1,4.499999679,,
CHEMBL1449373,Oc1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O,5.099999035,,
CHEMBL1449457,COCCN=c1[nH]cncc1-c1c(C)noc1C,6.89997427,,
CHEMBL1449517,CC(CCc1nc2ccccc2s1)(c1ccc(O)cc1)c1ccc(O)cc1,5.599997654,,
CHEMBL1449528,C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCN(C(=O)OCC)S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1,5.299997603,,
CHEMBL1449598,CC(=O)Nc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1,5.199998172,,
CHEMBL1449605,NC(Cc1ncccn1)C(=O)O,6.89997427,,
CHEMBL1449726,CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1,5.399996913,,
CHEMBL1449777,N#CC(C(=O)C(=O)O)c1ccc(-c2cccc3ccccc23)cc1,5.499996932,,
CHEMBL1449838,Cc1c(Cl)cc(C(C)(C)C)c(O)c1Cc1c(C)c(Cl)cc(C(C)(C)C)c1O,5.499996932,,
CHEMBL1450162,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1,4.899998417,,
CHEMBL1450169,CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,5.099999035,,
CHEMBL1450395,c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2N1CCOCC1,5.199998172,,
CHEMBL1450521,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccccc3C(F)(F)F)c2c1,7,,
CHEMBL1450821,Oc1c([C@H](N=c2cccc[nH]2)c2ccccc2)ccc2cccnc12,5.199998172,,
CHEMBL1450936,CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1,6.100015437,,
CHEMBL1451099,N#CC(=CN=c1cccc[nH]1)C(=O)c1ccco1,5.499996932,,
CHEMBL1451119,CCCC/C=C/C(NC(=O)CCc1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1451562,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCN4CCOCC4)c3C[C@H]2CN1C(=O)c1ccccc1,4.499999679,,
CHEMBL1451633,O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1,4.899998417,,
CHEMBL1451697,COc1ccc(CC=NC(=O)Cc2ccc(OC)c(OC)c2)cc1,6,,
CHEMBL1451794,Oc1c(Br)cc(CN(Cc2cc(Br)c(O)c(Br)c2)C2CCCCC2)cc1Br,5.599997654,,
CHEMBL1451986,O=c1[nH][nH]c(=S)c(=O)[nH]1,5.599997654,,
CHEMBL1452250,CN(Cc1ccco1)c1ncncc1-c1ccc2c(c1)OCO2,6.100015437,,
CHEMBL1452561,C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O,4.599999383,,
CHEMBL1452657,CN1[C@H]2CC[C@@H]1CC(OC(=O)C(O)c1ccccc1)C2,8.397940009,,
CHEMBL1452722,CC(=O)Nc1ccccc1C=C1c2ccccc2-c2ccccc21,6.199970641,,
CHEMBL1452876,CC=C1C(=O)C[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C,4.400000186,,
CHEMBL1452910,CC(C)c1cccc2nc3c(c(C(C)(C)C)c12)Cn1c-3cccc1=O,5,,
CHEMBL1453208,CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](N)CO,4.400000186,,
CHEMBL1453216,CCCc1cc2c(n1CCc1ccc(Cl)cc1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,5.499996932,,
CHEMBL1453240,CC(C)(C)[Si](C)(C)c1c2c(nc3ccc(OCc4ccccc4)cc13)-c1cccc(=O)n1C2,4.700000504,,
CHEMBL1453244,CCCc1cc2c(n1Cc1cccc(Cl)c1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,5.299997603,,
CHEMBL1453542,CCCC=CC1C(=O)C(C)C2CC(CCC)(C(=O)OC)N=CC12,5,,
CHEMBL1453715,O=C(O)c1nnsc1-c1ccc(-c2snnc2C(=O)O)cc1,5.099999035,,
CHEMBL1453749,CC(C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](N)c1ccccc1,4.599999383,,
CHEMBL1453991,COC(=O)C=CCC(C)C(C=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1)NS(=O)(=O)c1ccc(C)cc1,5.499996932,,
CHEMBL1453992,COc1ccc([C@@H](N=c2cccc[nH]2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1,5.599997654,,
CHEMBL1454033,COc1ccc(OC2C=CC(C#Cc3ccc(Br)cc3)OC2CO)c(C(C)(C)C)c1,5.499996932,,
CHEMBL1454224,O=C(Oc1ccccc1)N1CCC2(CC1)CN(Cc1ccncc1)C2,5.499996932,,
CHEMBL1454512,CC(=O)OCC1OC(C#Cc2ccc(F)cc2F)C=CC1OC(C)=O,5.299997603,,
CHEMBL1454544,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4ccc(N(C)C)cc4)nc4ccccc34)c2c1,6.400007822,,
CHEMBL1454730,O=C(O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1,5.399996913,,
CHEMBL1454793,CCC/C=C(\CCC)C(NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1,5,,
CHEMBL1454949,Cc1ccc(OP(=O)(Oc2ccc(C)cc2)N2C=Cc3ccccc3[C@H]2C#N)cc1,6.199970641,,
CHEMBL1455699,O=C(O)/C(=C\c1ccccc1)Cc1ccccc1,5.399996913,,
CHEMBL1456420,CCC/C=C(\CCC)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1,5,,
CHEMBL1456609,CC#C[C@@]1(O)CC[C@@H]2C3=C(C4=C(CC3)CC(=O)CC4)C(c3ccc(N(C)C)cc3)C[C@]21C,5.099999035,,
CHEMBL1456660,CC(C)CON=C1C2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12,5.499996932,,
CHEMBL1456755,Clc1ccc(Cl)c(N=c2cc[nH]c(SCc3ccccc3)n2)c1,5.199998172,,
CHEMBL1456805,C=C(CO)[C@H]1Cc2c(ccc3c(=O)c4c(oc23)COc2cc(OC)c(OC)cc2-4)O1,7.899629455,,
CHEMBL145725,CC(C)n1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21,6.400007822,,
CHEMBL1457262,C(=C\c1ccccc1)\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,5.299997603,,
CHEMBL1457332,O=C(c1ccncc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,5.099999035,,
CHEMBL1457499,CN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1,5.399996913,,
CHEMBL1457550,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,5.399996913,,
CHEMBL1466,O=c1c(Cc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12,7.600326279,,
CHEMBL146855,Cc1cccc(C)c1OC[C@H](C)N,4.400000186,,
CHEMBL14690,N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1,4.899998417,,
CHEMBL1472677,Oc1c2c(c(O)n1Cc1ccccc1)[C@@H]1C(CC2)C(=NOCc2ccccc2)C[C@@H](O)[C@H]1O,5.499996932,,
CHEMBL1472688,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cn([C@H]3COC[C@H]3O)nn2)cc1,5.599997654,,
CHEMBL1473055,COCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,4.599999383,,
CHEMBL1473191,O=C1Oc2ccccc2C(=O)/C1=C\N1C(=O)N=C(Cc2ccccc2O)C1=O,6,,
CHEMBL1473430,Cc1cccc(CN=c2cc[nH]c(-c3cccc(C#N)c3)n2)c1,6.100015437,,
CHEMBL1473448,CS(=O)(=O)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1,4.800000875,,
CHEMBL1473472,COc1ccc(CN=c2cc[nH]c(-c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1,6.7000571,,
CHEMBL1473679,C[C@@H](O)CC(C)(C)N,5.499996932,,
CHEMBL1473707,COC(=O)NC(c1ccc(F)cc1)C(C(=O)OC)C(C)=NCc1ccccc1,5.599997654,,
CHEMBL1473715,c1ccc(C(c2ccccc2)N2CC3(CCNCC3)C2)cc1,4.400000186,,
CHEMBL1473743,COC(=O)C12CC3(CCC4C5C(C(OCc6ccccc6)C41)C52)OCCO3,5.299997603,,
CHEMBL1473754,O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1,5.399996913,,
CHEMBL1473755,CN(C)c1ccc(-c2nc(=NCCc3c[nH]cn3)c3ccccc3[nH]2)cc1,6.100015437,,
CHEMBL1473956,CC(C)(O)[C@H]1C2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@]14C,4.599999383,,
CHEMBL1473990,O=C(c1csnn1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,4.400000186,,
CHEMBL1473996,c1cncc(-c2nc(=NCc3cccs3)cc[nH]2)c1,6.400007822,,
CHEMBL1474111,CS(=O)(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(F)c1)C2,5.399996913,,
CHEMBL1474185,CC(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.400000186,,
CHEMBL1474230,CCCCCCCC1=Cc2ccccc2C(CC(C)=O)N1C(=O)OC,5.199998172,,
CHEMBL1474231,CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C1CCCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1CNCC[C@H]1N,4.400000186,,
CHEMBL1474241,O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,6,,
CHEMBL1474272,CN(C)c1nc(-c2cccnc2)nc2ccccc12,6.100015437,,
CHEMBL1474294,C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,5.399996913,,
CHEMBL1474479,COc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)O)cc1OC,4.800000875,,
CHEMBL1474498,CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1,4.599999383,,
CHEMBL1474523,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CC=C4CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C,5.199998172,,
CHEMBL1474828,Cc1cc(C)c2nc3c(c([C@H](O)[C@@H]4CCCCN4)c2c1)CC/C3=C/c1ccc(Cl)cc1,6,,
CHEMBL1474876,COc1ccccc1CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,4.700000504,,
CHEMBL1474970,COC(=O)NC(c1ccccc1)[C@]1(C(C)=O)CCCC1=O,5.699991797,,
CHEMBL1475075,COc1cccc(C2Oc3ccc(OC)cc3C(NO[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)C2=O)c1,5.599997654,,
CHEMBL1475108,COC(=O)NC(c1ccccc1)C(C(=O)OC)C(C)=NCc1ccccc1,5.499996932,,
CHEMBL1475255,CN(C)c1ccc(-c2nc(-n3ccnc3)c3ccccc3n2)cc1,6.500038134,,
CHEMBL1475311,Cc1cnc(CN=c2[nH]cnc3ccc(-c4ccccc4CN(C)C)cc23)cn1,5.799998135,,
CHEMBL1475338,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4cccc(C#N)c4)nc4ccccc34)c2c1,6.500038134,,
CHEMBL1475358,CC(=O)NCCN=c1[nH]cncc1-c1ccccc1C,8,,
CHEMBL1475366,COc1cccc(-c2ccc3[nH]cnc(=NCCc4c[nH]c5ccc(OC)cc45)c3c2)c1,6.400007822,,
CHEMBL1475375,COC(=O)c1c(C)ccc2c(O)c3c(cc12)C(=O)c1c2c(cc(O)c1C3=O)[C@@]1(C)O[C@@](C)(O2)[C@@H](O)[C@H](N(C)C)[C@H]1O,5.599997654,,
CHEMBL1475487,CN(C)c1ncnc2ccc(-c3cccnc3)cc12,5.900008766,,
CHEMBL1475507,O=C(CCCN1C=C[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,4.400000186,,
CHEMBL1475509,CC[C@@H](c1ccccc1)n1c(=O)n2n(c1=O)[C@@H]1C(CC2)C(=NOC/C=C(\C)CCC=C(C)C)C2O[C@@H]2[C@H]1O,5.499996932,,
CHEMBL1475620,O=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.899998417,,
CHEMBL1475693,CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O,5.099999035,,
CHEMBL1475698,CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CC(C)=C4CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C,4.899998417,,
CHEMBL1475860,O=C(c1csnn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,5,,
CHEMBL1476084,CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1,6.500038134,,
CHEMBL1476108,O=C(Nc1ccccc1)[C@@]12CC1C(=NO)c1ccccc1O2,4.700000504,,
CHEMBL1476159,COc1cccc(C2Oc3ccc(OC)cc3C(NOCC[C@@H]3C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O3)C2=O)c1,5.499996932,,
CHEMBL1476280,CC(C(=O)NCCF)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1,4.599999383,,
CHEMBL1476329,N[C@H]1C[C@H]1c1ccccc1,4.899998417,,
CHEMBL1476331,CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C\c2ccc(C(=O)N3C(C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1,5.399996913,,
CHEMBL1476334,COCCN=c1cc(-c2ccccc2CN(C)C)[nH]cn1,6.400007822,,
CHEMBL1476362,C=Cc1c2[nH]c(c1C)C=c1[nH]c(c(C=CC(=O)O)c1C)=Cc1[nH]c(c(C)c1C=CC(=O)O)C=c1[nH]c(c(C)c1C=C)=C2,4.400000186,,
CHEMBL1476383,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@]1(C)C=CC(=O)CC1=C[C@@H]3Cl,4.899998417,,
CHEMBL1476430,Cc1cccc(CN=c2[nH]c(-c3cccc(NS(C)(=O)=O)c3)nc3ccccc23)c1,6.299988938,,
CHEMBL1476511,COc1ccc(NC(=O)N2CCCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1,4.700000504,,
CHEMBL1476632,Cc1ccc(CNC(=O)C2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c(F)c1F,6.199970641,,
CHEMBL1476687,Nc1ccc(N=Nc2ccc(-c3ccc(O)cc3)cc2)c2ccc(S(=O)(=O)O)cc12,5.299997603,,
CHEMBL1476711,Cc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1,4.400000186,,
CHEMBL1476714,NS(=O)(=O)c1ccc(N=Nc2c[nH]c(=O)c(O)c2)cc1,5.199998172,,
CHEMBL1476729,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCN(Cc3nccs3)CC2)CC1,4.899998417,,
CHEMBL1476958,c1ccc(C(c2ccccc2)N2CCC3(CCNCC3)CC2)cc1,4.499999679,,
CHEMBL1476981,COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccc(OC)cc4)C3)C2)cc1,4.899998417,,
CHEMBL1477506,Cn1c(=S)c2[nH]c(SCc3cccnc3)nc2n(C)c1=O,5.199998172,,
CHEMBL1477727,O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1,4.499999679,,
CHEMBL1477833,CNC(=O)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.800000875,,
CHEMBL1477982,Cc1cnc(CN=c2cc[nH]c(-c3cccnc3)n2)cn1,6.7000571,,
CHEMBL1478279,CC(C)CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1,4.499999679,,
CHEMBL1478430,CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(-c4ccccc4)c3n2)CC1,7.899629455,,
CHEMBL1478504,CCN(Cc1cc(Cl)cc(C)c1O)Cc1c(O)ccc2ccccc12,5.299997603,,
CHEMBL1478530,CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12,4.899998417,,
CHEMBL1479263,CNC(=O)C1O[C@@H](n2cnc3c(=NCc4ccc(I)cc4)[nH]c(Cl)nc32)[C@H](O)[C@@H]1O,4.700000504,,
CHEMBL1479276,Cc1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)CC(=O)C(C)(C)C)cc1,5.399996913,,
CHEMBL1479428,CC(=O)N1CCC2(CC1)CN(c1ccncc1)C2,4.400000186,,
CHEMBL1479506,COc1ccc(CN=c2[nH]c(-c3ccccc3CN(C)C)nc3ccccc23)c(OC)c1,6.7000571,,
CHEMBL1479727,COC(=O)c1ccc(C(NC(=O)c2ccco2)[C@]2(C)C[C@H]2C2CCCCC2)cc1,5,,
CHEMBL1479771,CCCC/C=C/C(NC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1,5.399996913,,
CHEMBL1480126,C#C[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4CC(=O)CCC4[C@H]3CC[C@]21C,5.299997603,,
CHEMBL1480806,Clc1ccccc1-c1ccc2[nH]cnc(=NCc3cccnc3)c2c1,6.100015437,,
CHEMBL1480903,CCCCC#Cc1nc(=NC)c2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)c2[nH]1,6.199970641,,
CHEMBL1481029,Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1,5.499996932,,
CHEMBL1481258,O[C@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,4.400000186,,
CHEMBL1481361,C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1ccccc1,5,,
CHEMBL1481465,C/C(=C\C1CCCCC1)C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1,5,,
CHEMBL1481741,N#Cc1cccc(NC(=O)N2CC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2)c1,4.899998417,,
CHEMBL1481747,CCC=CC(CCC)C(NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1,5.699991797,,
CHEMBL1481781,COC(=O)c1ccc(C23CC2(C(NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)C3)cc1,5,,
CHEMBL1481847,CCC=CC(CCC)C(NC(=O)C(C)(C)C)c1ccc(C(=O)OC)cc1,5.599997654,,
CHEMBL1482527,NC(CC1=CS(=O)(=O)c2ccc(Cl)cc21)C(=O)O,5.199998172,,
CHEMBL1482582,CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12,6,,
CHEMBL1482790,CN(Cc1ccco1)c1cc(-c2cccc(C#N)c2)ncn1,7.199970641,,
CHEMBL148296,CCCCOC(=O)c1cc2c(cn1)[nH]c1ccccc12,5.099999035,,
CHEMBL1483672,CCCC[C@@H]1CN2C(CC[C@@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1,5.299997603,,
CHEMBL1483716,COC(=O)NC(c1cccc(C)c1)[C@]1(C(C)=O)CCOC1=O,5.499996932,,
CHEMBL1483855,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5c(C)noc5C)cc34)c2c1,6.299988938,,
CHEMBL1484032,COCC1C2CC[C@H]3C(OCc4ccc(OC)cc4)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)C1COC,4.800000875,,
CHEMBL1484261,COc1cccc(-c2c[nH]cnc2=NCCc2c[nH]c3ccc(OC)cc23)c1,7,,
CHEMBL1484337,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCCNc4ccc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1,4.700000504,,
CHEMBL1484360,COc1ccc(-c2oc3cc(OC)c(OC(C)=O)c(OC)c3c(=O)c2OC)cc1OC(C)=O,4.499999679,,
CHEMBL1484447,CCc1c2c(nc3c(C(C)C)cccc13)-c1cccc(=O)n1C2,4.800000875,,
CHEMBL1484689,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCn4cc([N+](=O)[O-])nc4C)c3C[C@H]2CN1C(=O)c1ccccc1,4.499999679,,
CHEMBL1484751,N=c1[nH]cnc2c1ncn2[C@@H]1CCCO1,4.400000186,,
CHEMBL1484861,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)[nH]c3CC2CN1C(=O)c1ccccc1,6.100015437,,
CHEMBL1484904,CC1CCC2C(=O)N3C(CCC(C)[C@H]3c3ccccc3Br)C(=O)N2C1c1ccccc1Br,5.199998172,,
CHEMBL1485629,CCCn1c(=O)c(C)cn2[nH]c(=N)nc12,5.099999035,,
CHEMBL1485850,O=C(c1csnn1)N1CCC2(CC1)CCN(c1ccncc1)CC2,4.800000875,,
CHEMBL1486304,c1ccc2cc(NCNc3ccc4ccccc4c3)ccc2c1,5.399996913,,
CHEMBL1486540,CC(C)[C@@]1(NC(=O)C2=CC3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)C(Cc3ccccc3)N2C1=O,5,,
CHEMBL1486563,NC(C=O)C(O)NNCc1ccc(O)c(O)c1O,4.899998417,,
CHEMBL1486638,CCCC[C@H]1C[C@@H]1[C@@H]1N(P(=O)(c2ccccc2)c2ccccc2)[C@](CO)(c2ccccc2)CC12CC2,4.800000875,,
CHEMBL1486659,O=C(O)C1=C(C2c3ccc(O)c(O)c3Oc3c2ccc(O)c3O)CCCC1,5.199998172,,
CHEMBL1486820,CC(C)(CCc1nc2ccccc2[nH]1)C(=O)O,6.199970641,,
CHEMBL1487003,O=C(C[N+]1(c2ccccc2)CCOCC1)c1ccccc1,5.199998172,,
CHEMBL1487205,O=C1NC(=S)NC(=O)C1=Cc1cccc2cc3ccccc3cc12,5.499996932,,
CHEMBL1487219,CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc3ccc(F)cc3)C=C21,5,,
CHEMBL1487318,Cc1cc(Cc2cc(Cc3cc(C)cc(C(C)(C)C)c3O)c(C)cc2C)c(O)c(C(C)(C)C)c1,5.499996932,,
CHEMBL1487532,C[C@H]1OC(CC(=O)O)=Cc2c1c(O)c1c(O)cc(-c3cc(O)c4c(O)c5c(c(O)c4c3O)C=C(CC(=O)O)O[C@@H]5C)c(O)c1c2O,5.099999035,,
CHEMBL1487561,O=C(Cc1ccccc1I)Nc1ccccc1,4.599999383,,
CHEMBL1487801,O=C(O)C=Cc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12,5.099999035,,
CHEMBL1487860,NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,5.199998172,,
CHEMBL1487929,CCCCC#CC1C=CC(Oc2ccc(OC)cc2)C(CO)O1,5.799998135,,
CHEMBL1487944,CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)C3(Cc3ccccc3)C=C21,4.899998417,,
CHEMBL1488010,COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3,4.599999383,,
CHEMBL1488167,CN(Cc1cc(Cl)cc(Cl)c1O)Cc1c(O)ccc2ccccc12,5.499996932,,
CHEMBL1488305,CCC/C=C(\CCC)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.599999383,,
CHEMBL1488574,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3CC2CN1C(=O)c1ccccc1,6.500038134,,
CHEMBL1488679,N#CC(C#N)=NNc1ccc2c[nH]nc2c1,5.599997654,,
CHEMBL1488873,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1,5.549997293,,
CHEMBL1489212,CC1N(P(=O)(c2ccccc2)c2ccccc2)CC(O)(c2ccccc2)CC12CC2,4.599999383,,
CHEMBL1489353,c1ccc(-c2c3ccccc3nc3[nH]c4ccccc4c23)cc1,5,,
CHEMBL1489359,FC(F)(F)c1nc2nc(Cl)c(Cl)nc2n1CCCN1CCOCC1,5.599997654,,
CHEMBL1489424,O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1,5.499996932,,
CHEMBL1489541,CC(C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,5.499996932,,
CHEMBL1489705,O=C(O)CSc1cc(-c2ccccc2)nc2ccccc12,5.499996932,,
CHEMBL1490268,CCc1cccc2nc3c(c([Si](C)(C)C)c12)Cn1c-3cccc1=O,4.700000504,,
CHEMBL1490292,CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCC(C(=O)O)CC4)c3c2)cc1,6,,
CHEMBL1490497,N=C(N)SCc1cccc(-c2nc3ccccc3c(=O)o2)c1,5.299997603,,
CHEMBL1490998,c1ccc(C(c2ccccc2)N2CC[C@@]3(CCCNC3)C2)cc1,4.499999679,,
CHEMBL1491009,Oc1c(Cl)cc(CN(Cc2cc(Cl)c(O)c(Cl)c2)C2CCCCC2)cc1Cl,5.399996913,,
CHEMBL1491065,O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,4.800000875,,
CHEMBL1491288,COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1,5.099999035,,
CHEMBL1491340,S=C(S)O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21,4.89999855,,
CHEMBL1491744,COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1,6.500038134,,
CHEMBL1491776,C=CC[C@@H]1C=C[C@H](ON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)[C@H](CO)O1,7.100179498,,
CHEMBL1491965,COc1ccc(-c2nc3c[nH]c(=Nc4ccccc4)nc3n(Cc3cccs3)c2=O)cc1,4.899998417,,
CHEMBL149223,CCc1c(C)cn(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)c1O,6.500038134,,
CHEMBL1492346,O=C(c1ccncc1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,5.299997603,,
CHEMBL1492411,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ncccn1)C2,4.599999383,,
CHEMBL1492577,COc1ccc(C#CC2C=CC(Oc3cc(C)cc(C)c3)C(CO)O2)cc1,5.699991797,,
CHEMBL1493037,c1cc2c(cc1C1CCCCC1)c1c3n2CCN[C@H]3CCC1,4.700000504,,
CHEMBL1493294,C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@@]21C,5.900008766,,
CHEMBL1493369,C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,6.299988938,,
CHEMBL1493707,NC(=O)/C(=C\c1ccncc1)c1cccc2ccccc12,5.599997654,,
CHEMBL1493810,Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1,4.499999679,,
CHEMBL1493851,CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NOC[C@@H](O)COCc1ccco1,5.799998135,,
CHEMBL1493939,CCCC[C@@H]1C[C@H]1C(NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1,4.800000875,,
CHEMBL1493945,CCC(=O)O[C@@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@H]3CC=C4CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C,4.800000875,,
CHEMBL1494615,Cn1c(=S)c2[nH]c(SCCN3CCCC3)nc2n(C)c1=O,5.499996932,,
CHEMBL1494697,CCCC/C=C/C(NC(=O)c1cccs1)c1ccccc1,6.500038134,,
CHEMBL1495213,O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ccccc1)CC2,5,,
CHEMBL1495395,COC(=O)C(Cc1ccccc1)=NC(=O)CCC[C@@H](C)[C@@H](CO)OC,5.499996932,,
CHEMBL1495875,N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)cc1,4.499999679,,
CHEMBL1496013,O=C(O)c1cccc(CN2CCCCC2)c1,5.900008766,,
CHEMBL1496125,Cc1ccc(N=c2[nH]nc(-c3ccc4c(c3)OCO4)o2)c(C)c1,5.099999035,,
CHEMBL1496363,CSc1ncnc2c1ncn2CC(=O)C1CC[C@H]2[C@H]3CC=C4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,5.499996932,,
CHEMBL1496514,CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1,5.149998907,,
CHEMBL1496590,COc1cccc(N=c2nc3c(c[nH]2)nc(-c2cn(C)c4ccccc24)c(=O)n3C[C@H]2CCCO2)c1,5.299997603,,
CHEMBL1496898,c1cncc([C@H]2CCCCN2)c1,5.099999035,,
CHEMBL15060,COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1,4.800000875,,
CHEMBL1508,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,5.499996932,,
CHEMBL1511998,FC(F)(F)c1cc(NC(=S)N2c3ccccc3-n3cccc3[C@H]2c2cccnc2)cc(C(F)(F)F)c1,6.299988938,,
CHEMBL1512050,CC(C)CC1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)C3=CC4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,5,,
CHEMBL1512171,CS(=O)(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2,4.599999383,,
CHEMBL1512227,C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C\[C@@H](C)C(C)C,4.700000504,,
CHEMBL1512307,CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O,5.499996932,,
CHEMBL1512359,Clc1ccccc1/C=C\c1ccnc2ccccc12,5.599997654,,
CHEMBL1512432,COC(=O)C=CC[C@@H](C)C(C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)OC,5.799998135,,
CHEMBL1512434,C[C@@H](c1ccccc1)n1c(O)c2c(c1O)[C@@H]1C(CC2)C(=NNC(=O)OCc2ccccc2)C[C@@H](O)[C@H]1O,6,,
CHEMBL1512562,COc1cccc(-c2nc(N(C)C)c3ccccc3n2)c1,6.100015437,,
CHEMBL1512683,NC(C(=O)O)c1ccc([PH](=O)(=O)O)cc1,4.499999679,,
CHEMBL1512702,O=C(c1csnn1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,5.199998172,,
CHEMBL1512708,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccoc3)c2c1,6,,
CHEMBL1513348,CCNC(=O)C1O[C@@H](n2cnc3c(=N)[nH]cnc32)[C@H](O)[C@H]1O,4.599999383,,
CHEMBL1513392,Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1,5.900008766,,
CHEMBL1513490,COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,5.099999035,,
CHEMBL1513508,CCOC(=O)OCC1OC(C#Cc2ccc(C(C)(C)C)cc2)C=CC1OC(=O)OCC,8.602059991,,
CHEMBL1513511,c1ccc2c(=Nc3ccncc3)[nH]c(-c3ccc4c(c3)OCO4)nc2c1,5.900008766,,
CHEMBL1513643,O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1,5.499996932,,
CHEMBL1513656,CCOC(=O)OCC1OC(c2ccccc2)C=CC1Oc1ccc(F)cc1C,5.499996932,,
CHEMBL1513684,O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1,4.899998417,,
CHEMBL1513806,C=C1CC[C@@H]2O[C@]2(C)CC[C@@H]2[C@H]1CC2(C)C,4.599999383,,
CHEMBL1513825,COc1ccc(N=c2nc3c(c[nH]2)nc(-c2cccs2)c(=O)n3Cc2cccc(OC)c2)cc1,4.400000186,,
CHEMBL1513845,NC(C(=O)O)c1ccc(O)c(C(=O)O)c1,4.400000186,,
CHEMBL1513876,COC(=O)N1CCC2(CCCN(C(=O)Nc3cccc(C#N)c3)C2)CC1,4.800000875,,
CHEMBL1513940,COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2C(C(=O)O)[C@@H](OC)[C@@H](O)C[C@H]2CN1CC3,8.602059991,,
CHEMBL1513966,C=CC[C@@H]1C=C[C@H](ON=CC(C)[C@H](OCc2ccccc2)C(C)C)[C@H](CO)O1,5.399996913,,
CHEMBL1514027,CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(C#N)c3)cc12,5.799998135,,
CHEMBL1514045,O=C(Nc1cccc(F)c1)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,4.700000504,,
CHEMBL1514090,CN(C)C1C(=O)C(C(=O)NCN2CCCC2)C(=O)[C@]2(O)C(=O)C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,4.800000875,,
CHEMBL1514143,O=C(c1cccc(F)c1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,5.499996932,,
CHEMBL1514161,COC(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1,5,,
CHEMBL1514221,Cc1ccc(S(=O)(=O)n2c3ccccc3c3nnc(C(=O)c4ccccc4)nc32)cc1,5.499996932,,
CHEMBL1514440,COCCOC(=O)C1=C(C)N=C(C)C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1,5.800006185,,
CHEMBL1514639,CNCCCCCCCCSc1nc(C(C)C)ccc1C(=O)c1cccs1,4.599999383,,
CHEMBL1514640,CC(C)NC(=O)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1,4.899998417,,
CHEMBL1514779,CC(C)CN1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1,4.400000186,,
CHEMBL1514782,CCOC(=O)OCC1OC(C#Cc2ccc(Br)cc2)C=CC1OC(=O)OCC,5.599997654,,
CHEMBL1514911,CN1CC(C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21,5.399996913,,
CHEMBL1515131,COc1ccc(C(=O)NN=C2C(=O)c3c(C)cc(C)cc3CC2(C)C)cc1,5.199998172,,
CHEMBL1515209,CC/C=C\CC[C@H](OC(=O)c1ccc(Br)cc1)C1=CCCCC1=O,5.499996932,,
CHEMBL1515295,Cn1cccc1C(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,4.400000186,,
CHEMBL1515310,CCCCCCCCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[PH](=O)(=O)OCO,4.400000186,,
CHEMBL1515324,CS(=O)(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.899998417,,
CHEMBL1515341,COC(=O)N(/C=C/c1ccc(OC)cc1)CCc1ccc(OC)c(OC)c1,5.499996932,,
CHEMBL1515352,C=C(C)C(O)/C=C/c1ccc(OC)cc1,5.599997654,,
CHEMBL1515366,CC(=O)NCCN=c1[nH]c(-c2ccccc2C)nc2ccccc12,6.599980365,,
CHEMBL1515452,COc1ccc(OC2C=CC(c3ccccc3)OC2CO)c(C(C)(C)C)c1,5.499996932,,
CHEMBL1515614,O=C(c1csnn1)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1,4.400000186,,
CHEMBL1515717,COc1cccc(-c2nc(=NCc3ccccc3OC)c3ccccc3[nH]2)c1,6,,
CHEMBL1515787,COc1ccc(OC2C=CC(c3ccccc3)OC2CO)c(C(C)=O)c1,5.499996932,,
CHEMBL1515802,C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1,5.099999035,,
CHEMBL1516024,O=C(Nc1ccccc1)N1CC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1,4.800000875,,
CHEMBL1516187,NCCSC(c1ccccc1)c1ccccc1,6,,
CHEMBL1516410,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,5.399996913,,
CHEMBL1516622,CN(Cc1cc(C(C)(C)C)cc(Br)c1O)Cc1cc(C(C)(C)C)cc(Br)c1O,5.399996913,,
CHEMBL1516648,CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1Oc1ccc(OC)cc1,5.699991797,,
CHEMBL1516996,Cc1ccc(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1,5.399996913,,
CHEMBL1517172,Fc1ccc(C(OCCN2CCN(C/C=C\c3ccccc3)CC2)c2ccc(F)cc2)cc1,5.099999035,,
CHEMBL1517187,CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC,4.899998417,,
CHEMBL1517765,O=C(NCc1cc(F)cc2c1OCCO2)C1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.899998417,,
CHEMBL1517793,C[C@H]1CCC[C@@H](C)N1,8.602059991,,
CHEMBL1518301,COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCCN=c4[nH]cc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1,5.099999035,,
CHEMBL1518415,c1cncc(CN=c2[nH]c(-c3ccc4c(c3)OCO4)nc3ccccc23)c1,6.400007822,,
CHEMBL1518927,C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4C2C3=O)O1,4.499999679,,
CHEMBL15192,CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,4.499999679,,
CHEMBL1519225,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1,4.499999679,,
CHEMBL1519261,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4ccc(C(=O)N(C)C)cc4)nc4ccccc34)c2c1,6,,
CHEMBL1519435,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4c(C)noc4C)nc4ccccc34)c2c1,6.299988938,,
CHEMBL1519490,C[C@@H]1CCC2C(=O)N3C(CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1,5.399996913,,
CHEMBL1519978,C=C(CC1(C(C)NP(=O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1,5.099999035,,
CHEMBL1520025,CC(=O)C1CC[C@@H]2[C@@H]3CC(C)=C4CC(=O)CC[C@@]4(C)[C@H]3[C@H](O)C[C@@]12C,6.400007822,,
CHEMBL152028,CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,5.099999035,,
CHEMBL1520347,O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccccn1)CC2,4.499999679,,
CHEMBL1520442,CCCc1cc2c(n1Cc1ccc(OC)cc1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,4.899998417,,
CHEMBL1520837,CCCCCCCCN[C@@H](C)[C@H](O)c1ccc(SC(C)C)cc1,8.301029996,,
CHEMBL1520907,CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)c1ccccc1C(=O)O,5.499996932,,
CHEMBL1522752,O=C(O)C1CCc2ccc3ccccc3c2[C@H]1c1cccc2ccccc12,5.099999035,,
CHEMBL1523108,COc1ccc(C(=O)N2CCC3(CCCN(C(c4ccccc4)c4ccccc4)C3)CC2)cc1,5.399996913,,
CHEMBL1523246,C[C@H]1CCC2C(=O)N3C(CC[C@H](C)[C@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1,5.199998172,,
CHEMBL1523879,N=c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1,5.299997603,,
CHEMBL1524194,CN=CC(Cl)NS(=O)(=O)c1ccc(C)cc1,5.499996932,,
CHEMBL1524331,COC(=O)[C@@]1(Cc2ccc(OC)cc2)C2=C(C)C(=O)C=C2CN1C(=O)c1ccccc1,5.499996932,,
CHEMBL1524593,CO[C@H]1COC(=O)C(C)COC(=O)C=CC[C@H](C)[C@@H](OC)COC(=O)CC=C[C@@H]1C,5.599997654,,
CHEMBL1525179,CN1CCc2ccccc2[C@@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl,5.499996932,,
CHEMBL1525813,Cc1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1,5.399996913,,
CHEMBL1526053,COC(=O)NC(c1ccco1)C(C(C)=O)C(=O)OC,6,,
CHEMBL1526068,Cc1ccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)cc1,4.899998417,,
CHEMBL1526213,CCC=CC(CCC)C(NC(=O)c1cccs1)c1ccc(C(=O)OC)cc1,5.699991797,,
CHEMBL1526351,CCC(C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21,4.400000186,,
CHEMBL1526486,COC(=O)C1(C)C=C2C(C)C(=O)C(c3ccccc3)C2C=N1,5,,
CHEMBL1526658,CC(=NNC(=O)c1ccncc1)c1ccc2ccccc2c1O,7,,
CHEMBL1526964,Nc1cc2c(nc3c4ccccc4c(N)cc3[n+]2-c2cccc3ccccc23)c2ccccc12,5.599997654,,
CHEMBL1527157,Cc1cccc2c1Oc1ccccc1[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1,5.099999035,,
CHEMBL1527565,Cc1cc(O)c(-c2cc(O)c(C)cc2O)cc1O,5.900008766,,
CHEMBL1527909,COC(=O)C1C[C@@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,4.400000186,,
CHEMBL1528491,Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1,5.199998172,,
CHEMBL1528654,CC(=O)OC[C@@H]1O[C@H](CC=NOC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1OC(C)=O,5.199998172,,
CHEMBL1528688,NCCNC(=S)S,5.199998172,,
CHEMBL1528708,O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1,5,,
CHEMBL1528848,CC1CCC2C(=O)N3CCCC3C(=O)N2C1c1ccc(Br)cc1,6.199970641,,
CHEMBL1529093,C[C@@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]43C)[C@H]1CCC2c1cc(C(F)(F)F)[nH]n1,5.099999035,,
CHEMBL1529205,CCCCCCC(=O)Cc1cc(OC)c(OC)cc1/C=C(/C(C)=O)C(=O)OC,5.499996932,,
CHEMBL1529265,Fc1cccc(Cl)c1/C=N\N=C1c2ccccc2-c2ccccc21,5.499996932,,
CHEMBL1529538,CC(C)c1cccc2nc3c(c([Si](C)(C)C(C)(C)C)c12)Cn1c-3cccc1=O,4.400000186,,
CHEMBL1529609,Nc1ccc(-c2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)c(S(=O)(=O)O)c1,5.199998172,,
CHEMBL1529625,COCC1C2CC[C@H]3C(OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)C1COC,4.700000504,,
CHEMBL1529804,c1ccc(CSCCc2ccncc2)cc1,6.500038134,,
CHEMBL153057,CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O,5,,
CHEMBL1530613,O[C@@H](C1=C/C(=C\c2ccncc2)c2ccccc21)c1ccncc1,7,,
CHEMBL1530633,CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12,4.400000186,,
CHEMBL1531727,O=C(C[C@@H]1C=Cc2ccccc2N1C(=O)c1ccccc1)c1ccccc1,5.599997654,,
CHEMBL1532103,COc1ccc(OC)c(-c2ccccc2/C=N/NS(=O)(=O)c2ccc(C)cc2)c1,5.099999035,,
CHEMBL1532319,CCOC(=O)Cn1c(C(F)(F)F)nc2nc(Cl)c(Cl)nc21,6.100015437,,
CHEMBL1532488,N=C(N)SCc1ccc(Cl)c2ccccc12,5.399996913,,
CHEMBL1532921,C[C@H](Br)CN(C[C@H](C)Br)c1ccc2c(c1)Cc1ccccc1-2,5.499996932,,
CHEMBL1533121,COc1cc(OC)cc([C@H](CN=c2[nH]cnc3c2ncn3[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c2ccccc2C)c1,7.801342913,,
CHEMBL1533413,COC(=O)C[C@@H]1O[C@H]1[C@H](C)[C@@H](OC)C(C)C,5.499996932,,
CHEMBL1533672,COC(=O)C=CC[C@@H](C)C(C=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1)OC,5.499996932,,
CHEMBL1533680,O=C(N[C@@H](c1ccccc1)[C@@H]1CC1C(=O)NCc1ccccc1)OCc1ccccc1,5.399996913,,
CHEMBL1533938,C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)C(C(=O)CO)CC[C@H]12,4.800000875,,
CHEMBL1534591,COc1ccccc1CN=c1cc(-c2cccc(NS(C)(=O)=O)c2)[nH]cn1,6.400007822,,
CHEMBL1534630,CO[C@H]1OC[C@@]2(C)[C@@H]3C4=C(CN2C(=O)OC(C)(C)C)[C@H](C)[C@H](CO)[C@H](CO)[C@H]4CC[C@H]13,4.700000504,,
CHEMBL1534734,CC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,4.400000186,,
CHEMBL1534872,CC[C@H]1C2=C3C(CC[C@H]4C(OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)C(COC(C)=O)C1COC(C)=O,4.499999679,,
CHEMBL1535057,CN(C)Cc1cc(O)c(O)c(CN(C)C)c1,5.099999035,,
CHEMBL153648,C=CCN1C[C@H](C)N(C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C,4.499999679,,
CHEMBL1550886,CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,4.599999383,,
CHEMBL1551036,COC(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1,4.800000875,,
CHEMBL1551041,CCOC(=O)OCC1OC(c2ccc(C(C)=O)cc2)C=CC1Oc1ccc(-c2ccccc2)cc1,5.299997603,,
CHEMBL1551065,COc1ccc(NC(=O)N2CCC3(CC2)CCN(S(C)(=O)=O)CC3)cc1,4.800000875,,
CHEMBL1551308,COC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1,4.899998417,,
CHEMBL1551429,O=C(c1ccccc1)C1O[C@H]1c1ccc(-c2ccccc2)cc1,4.899998417,,
CHEMBL1551503,CN(C)c1ccc(-c2nc(=Nc3ccc(F)cc3)cc[nH]2)cc1,6.199970641,,
CHEMBL1551515,CN(C)C(=O)c1ccc(-c2ccc3ncnc(N(C)C)c3c2)cc1,5.900008766,,
CHEMBL1551557,COc1ccccc1CN=c1cc(-c2ccccc2OC)[nH]cn1,8.301029996,,
CHEMBL1551617,COc1cc([C@@H]2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3O[C@H]2CO)ccc1O,5.599997654,,
CHEMBL1551639,O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,5.099999035,,
CHEMBL1551683,CCCC[C@H](CC)CN=C(N)N=C(N)NCCCCCCN=C(N)N=C(N)NC[C@@H](CC)CCCC,4.700000504,,
CHEMBL1551818,CN(C)C(=O)c1ccc(-c2nc(=NC3CCNCC3)c3ccccc3[nH]2)cc1,5.900008766,,
CHEMBL1551980,c1csc(CN2CCCC3(CCNCC3)C2)n1,4.499999679,,
CHEMBL1552021,N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H]12,5,,
CHEMBL1552028,COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1,4.400000186,,
CHEMBL1552066,CCC[C@@H]1C[C@@]1(CCC)C(NC(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1,5.399996913,,
CHEMBL1552095,CN1CC(C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21,5.499996932,,
CHEMBL1552249,CCCN(C/C=C\I)[C@@H]1CCc2ccc(O)cc2C1,4.599999383,,
CHEMBL1552270,c1ccc(N=c2[nH]cnc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1,5.799998135,,
CHEMBL1552303,CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1,5.499996932,,
CHEMBL1552314,O=C(c1csnn1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,4.800000875,,
CHEMBL1552517,COCCN=c1cc[nH]c(-c2ccccc2C(F)(F)F)n1,6.400007822,,
CHEMBL1552551,O=S(=O)(NCCCCCCc1ccccc1)c1cccc2c(Cl)cccc12,5.299997603,,
CHEMBL1552562,O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)CC2,4.499999679,,
CHEMBL1552623,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccc(N(C)C)cc3)c2c1,6.299988938,,
CHEMBL1552677,FC(F)(F)c1ccccc1-c1nc(=NCc2ccccc2)cc[nH]1,6,,
CHEMBL1552680,c1ccc(CN2CCC3(CCNCC3)CC2)cc1,4.599999383,,
CHEMBL1552750,COc1cc(C(=O)O[C@@H]2CC(C)=CC[C@@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O,4.800000875,,
CHEMBL1552752,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4c(C)noc4C)n3)c2c1,6.100015437,,
CHEMBL1552854,CN(C)c1nc(-c2ccc3c(c2)OCO3)nc2ccccc12,6,,
CHEMBL1552953,CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21,5.599997654,,
CHEMBL1552961,CN1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2,5.299997603,,
CHEMBL1553160,COC(=O)C=CCC(C)C(C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1,5.900008766,,
CHEMBL1553185,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5ccccc5OC)cc34)c2c1,6.599980365,,
CHEMBL1553322,Cc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1,6.799970733,,
CHEMBL1553325,CC(=O)OC[C@@H]1O[C@@H](ON=C2C[C@@H](O)[C@@H](O)[C@@H]3c4c(c(O)n(C5CCCCC5)c4O)CCC23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,5.900008766,,
CHEMBL1553399,CCOC(=O)C(=N)CC(C)C[PH](=O)(=O)O,4.599999383,,
CHEMBL1553404,CC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,4.899998417,,
CHEMBL1553488,COc1ccccc1/C=C/C1=CC2(C)CC1(C)C(c1ccccc1OC)CC2=O,5.399996913,,
CHEMBL1553498,CCC(Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C,7,,
CHEMBL1553694,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4cccnc4)nc4ccccc34)c2c1,6.199970641,,
CHEMBL1553731,COc1cccc(/C=C/C2=CC3(C)CC2(C)C(c2cccc(OC)c2)CC3=O)c1,5.499996932,,
CHEMBL1553766,CCN=c1nc2c(c[nH]1)nc(-c1ccc(Cl)cc1)c(=O)n2Cc1cccs1,4.499999679,,
CHEMBL1553926,Cn1cccc1C(=O)N1CCC2(CC1)CN(c1ccncc1)C2,5.299997603,,
CHEMBL1554141,COC(=O)C=CCC(C)C(C=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21)NS(=O)(=O)c1ccc(C)cc1,5.499996932,,
CHEMBL1554194,COc1cccc(-c2nc(=NCc3ccc(OC)cc3OC)c3ccccc3[nH]2)c1,6.500038134,,
CHEMBL1554243,COCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2,4.899998417,,
CHEMBL1554246,CCC(=O)N[C@@H]1CCc2cccc(OC)c2C1,4.800000875,,
CHEMBL1554247,CCC[C@H]1CC(C(=O)N[C@@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)N(C)C1,5.799998135,,
CHEMBL1554291,CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C1)[C@@H](CN)C2,5.900008766,,
CHEMBL1554408,C/C=C/OC(=O)NC(c1ccccc1)[C@]1(C(C)=O)CCCC1=O,5.399996913,,
CHEMBL1554411,Cc1cc(O)c(C(C)C)cc1N=Cc1ccccc1O,6.199970641,,
CHEMBL1554459,CC(CCN1CCCCc2nc(C)c(C)cc21)=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1,5.599997654,,
CHEMBL1554564,COC(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1,4.899998417,,
CHEMBL1554577,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccccc3C)c2c1,6.89997427,,
CHEMBL1554590,CCCCCCCC#Cc1ccccc1C(NC(=O)OC)C(C(=O)OC)C(=O)OC,5.099999035,,
CHEMBL1554654,CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc32)C[C@H]2c3ccccc3CCN2C1,5.499996932,,
CHEMBL1554664,CS(=O)(=O)Nc1cccc(-c2nc(=NCc3cccs3)c3ccccc3[nH]2)c1,5.900008766,,
CHEMBL1554693,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3CC2CN1C(=O)c1ccccc1,5,,
CHEMBL1554798,COC(=O)C=CCC(C)C(OC)c1ccccc1Br,5.499996932,,
CHEMBL1554854,Cc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1,5.499996932,,
CHEMBL1554888,COc1ccc2[nH]cc(CCN=c3cc[nH]c(-c4cccc(NS(C)(=O)=O)c4)n3)c2c1,6.89997427,,
CHEMBL1554936,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)N2CCCCC2)cc1,5.599997654,,
CHEMBL1554975,CCC12C=C(/C=C/c3ccccc3)C(CC)(C1)C(c1ccccc1)CC2=O,5.799998135,,
CHEMBL1554976,FC(F)(F)c1ccccc1-c1nc(=Nc2ccncc2)c2ccccc2[nH]1,6.100015437,,
CHEMBL1555011,CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,4.899998417,,
CHEMBL1555014,CN(C)c1ccc(-c2cc(=Nc3ccc(F)cc3)[nH]cn2)cc1,7.199970641,,
CHEMBL1555119,CO[C@H]1COC(=O)C=CC[C@@H](C)COC(=O)C2CCCN2C(=O)C=CC[C@H]1C,5.499996932,,
CHEMBL1555132,COC(=O)c1ccc(C#CC(NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1,5,,
CHEMBL1555164,COc1cccc(C2Oc3ccc(OC)cc3C(NO[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)C2=O)c1,5.799998135,,
CHEMBL1555334,CC(C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1,5.199998172,,
CHEMBL1555389,Cc1c(-c2ccccc2)oc2cc(O)ccc2c1=O,5.599997654,,
CHEMBL1555436,CC(C[n+]1ccccc1)=NN=C(N)N,6.599980365,,
CHEMBL1555480,O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1,4.400000186,,
CHEMBL1555537,CCNC(C)(C)[C@@H](SS)c1ccc(Br)cc1,5.199998172,,
CHEMBL1555736,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,5.399996913,,
CHEMBL1555810,CC(=O)OC=C1CSC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O,4.400000186,,
CHEMBL1556218,COC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,4.400000186,,
CHEMBL1556464,CC#C[C@@]1(O)CC[C@H]2C3=C(C4=C(CC3)CC(=O)CC4)C(c3ccc(N(C)C)cc3)C[C@]21C,5.399996913,,
CHEMBL1556742,Cc1ccc(C2=C(Cl)C(=O)C(c3ccc(C)cc3)=C(Cl)C2=O)cc1,5.799998135,,
CHEMBL1557498,N#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)Oc4ccccc4)C3)C2)c1,4.400000186,,
CHEMBL1557657,COCC(=O)N1CCC2(CCCN(Cc3ccncc3)C2)CC1,5.299997603,,
CHEMBL1557809,C[C@@](C(=O)O)(c1ccccc1)[C@]1(O)CC[C@@H](C)CC1,5.799998135,,
CHEMBL1558420,O=C(Oc1ccccc1)N1CCC2(CC1)CN(c1ncccn1)C2,4.599999383,,
CHEMBL1559912,COc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)cc1,4.700000504,,
CHEMBL1560095,CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccncc1)C2,4.400000186,,
CHEMBL1560551,COc1ccc2nc3c(c([Si](C)(C)C(C)(C)C)c2c1)Cn1c-3cccc1=O,4.899998417,,
CHEMBL1561068,Cc1[nH]c2ccccc2c1-c1cc(-c2cc(-c3c(C)[nH]c4ccccc34)[nH]c(=N)n2)[nH]c(=N)n1,5.499996932,,
CHEMBL1561402,CS(=O)(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1,4.599999383,,
CHEMBL1561829,COC(=O)C1[C@H](c2ccccc2)[C@@]2(c3ccccc3)Oc3ccccc3[C@@]2(O)[C@@H]1O,7.100179498,,
CHEMBL1561927,N=c1[nH]c(-c2cccs2)cs1,5.099999035,,
CHEMBL1562088,CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(C)C21,5.099999035,,
CHEMBL1562337,NCCc1c[nH]c2ccc(OC(=O)C(=O)O)cc12,5.399996913,,
CHEMBL1562420,Cc1ccc(S(=O)(=O)/C=C\C#N)cc1,4.899998417,,
CHEMBL1562610,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,5.900008766,,
CHEMBL1562612,N=C(N)SCc1nc(-c2ccc(Cl)cc2)no1,5.399996913,,
CHEMBL1562657,C#CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C,6.500038134,,
CHEMBL1562791,COc1ccc2[nH]cc(CCN=c3cc(-c4ccccc4C(F)(F)F)[nH]cn3)c2c1,6,,
CHEMBL1563066,Cc1cccc(CN=c2cc[nH]c(-c3ccccc3CN(C)C)n2)c1,6.799970733,,
CHEMBL1563396,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NOC[C@@H](O)COCc2ccco2)cc1,5.499996932,,
CHEMBL1563501,O=c1c(-c2ccc(Cl)cc2)nc2c[nH]c(=Nc3ccccc3)nc2n1C[C@H]1CCCO1,4.400000186,,
CHEMBL1563840,CC(=O)OCC1OC(C#CCCCc2ccccc2)C=CC1OC(C)=O,5.599997654,,
CHEMBL1564178,C=CCc1cccc(C2C(C)CCC3C(=O)N4C(CCC(C)C4c4cccc(CC=C)c4)C(=O)N32)c1,5.399996913,,
CHEMBL1564184,COC(=O)C1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OCC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1,5.399996913,,
CHEMBL1564426,COc1ccc(OC2C=CC(C#Cc3ccc(C(C)(C)C)cc3)OC2CO)cc1,6.400007822,,
CHEMBL1564927,S=C1N[C@H](c2ccccc2)N[C@H](c2ccccc2)S1,5.699991797,,
CHEMBL1565125,COc1cc2nc3c(c([Si](C)(C)C(C)(C)C)c2cc1OC)Cn1c-3cccc1=O,4.800000875,,
CHEMBL1565169,CCOC(=O)OCC1OC(C#Cc2ccccc2)C=CC1OC(=O)OCC,7.100179498,,
CHEMBL1565311,Clc1ccc(CSCCc2ccncc2)cc1Cl,7.100179498,,
CHEMBL1565333,CC(=O)/C(=C\c1ccccc1F)C(=O)c1ccccc1,5.199998172,,
CHEMBL1565342,Cc1cc(CNC(=O)C(C)C2C[C@@]2(C)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)nn1C,4.899998417,,
CHEMBL1565525,CN(C)c1ccc(-c2c[nH]cnc2=NCc2cccnc2)cc1,6.299988938,,
CHEMBL1565544,COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2,6.100015437,,
CHEMBL1565578,Nc1ccccc1C#Cc1ccccc1,5.099999035,,
CHEMBL1565914,NS(=O)(=O)c1ccc(N=Nc2ncccc2O)cc1,5.199998172,,
CHEMBL1565965,O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)c3ccco3)CC2)C1,4.599999383,,
CHEMBL1566007,CC(C)CON=C1C[C@@H](O)[C@@H](O)[C@@H]2c3c(c(O)n(-c4cccc(Oc5ccccc5)c4)c3O)CCC12,5.499996932,,
CHEMBL1566017,O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1,4.700000504,,
CHEMBL1566105,Cc1c(O)c(Br)c(C)c(O)c1Br,6.400007822,,
CHEMBL1566228,CN=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O[PH](=O)(=O)O)[C@H](CO[PH](=O)(=O)O)O1,4.899998417,,
CHEMBL1566522,C#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=Cc5oncc5C[C@]4(C)[C@@H]3CC[C@@]21C,5.699991797,,
CHEMBL1566670,C#CCCCC(=S)Nc1ccccc1,4.400000186,,
CHEMBL1566987,Clc1ccc(CSCc2ccc(Cl)cc2Cl)c(Cl)c1,6.400007822,,
CHEMBL1567176,O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1ccccc1)C2,4.499999679,,
CHEMBL1567365,COC(=O)C=CC[C@@H](C)C(C=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C)OC,5.499996932,,
CHEMBL1567435,CS(=O)(=O)Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1,5.199998172,,
CHEMBL156747,NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O,5.09999801,,
CHEMBL1567600,COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)c4ccc(OC)cc4)CC3)C2)cc1,4.400000186,,
CHEMBL1568083,O=C(O)c1cscc1Cc1cccs1,8.602059991,,
CHEMBL1568086,COc1ccc2[nH]cc(CCN=c3cc(-c4ccccc4Cl)[nH]cn3)c2c1,6.100015437,,
CHEMBL1568178,Cc1noc(C)c1-c1nccc(-n2ccnc2)n1,7.698970004,,
CHEMBL1568744,COC(=O)C1C[C@@H]1[C@H](NC(=O)c1cc(C)nn1C)c1ccccc1,4.400000186,,
CHEMBL1569001,COc1ccccc1-c1oc2ccccc2c(=O)c1OC,4.599999383,,
CHEMBL1569116,O=C(C(=O)C(O)C(O)CO)C(O)O,6.100015437,,
CHEMBL1569485,COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCCN=c4[nH]cc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1,5.499996932,,
CHEMBL1569585,COC(=O)[C@@]1(Cc2ccc(F)cc2)C2=C(C)C(=O)C=C2CN1C(=O)c1ccccc1,5.399996913,,
CHEMBL1569638,CC1CCC2C(=O)N3C(CCC(C)C3c3ccccc3Br)C(=O)N2C1c1ccc(C#CCN(C)C)cc1,5.399996913,,
CHEMBL1570196,CCCOc1ccc2[nH]cc(C3=CCNCC3)c2n1,5,,
CHEMBL1570716,O=C(NCCc1c[nH]c2ccccc12)C1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1,6.599980365,,
CHEMBL1570851,CCC(C(=O)c1cccs1)C(O)(C(F)(F)F)C(F)(F)F,5.099999035,,
CHEMBL1570894,O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)c2ccccc21,6.599980365,,
CHEMBL1570921,C[C@@H]1C[C@H](OC(=O)c2ccccc2O)CC(C)(C)C1,5,,
CHEMBL157101,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,4.899998417,,
CHEMBL1571758,Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1,5,,
CHEMBL1571851,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F,4.599999383,,
CHEMBL1571995,COc1ccc(-c2ccc3c(n2)CCCN3C[C@H](O)CN2CCCc3nc(C)c(C)cc32)cc1,5.399996913,,
CHEMBL1572655,Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1,4.800000875,,
CHEMBL1573532,COCOc1ccc(Br)cc1C(=O)/C=C\c1ccc2c(c1)OCO2,5.699991797,,
CHEMBL1574278,COc1ccc(C(=O)CCN(C)C)c2ccccc12,5.399996913,,
CHEMBL1574543,C/C=C/OC(=O)NC(c1ccccc1)[C@]1(C(C)=O)CCOC1=O,6.100015437,,
CHEMBL1574626,O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1,5.499996932,,
CHEMBL15770,CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc([S+](C)[O-])cc1,4.899998417,,
CHEMBL157946,Cc1cc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C,4.899998417,,
CHEMBL158507,CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O,5.799998135,,
CHEMBL1589879,CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@H]1O[C@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2,5.199998172,,
CHEMBL1589897,Cn1cccc1C(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2,4.899998417,,
CHEMBL1589909,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1,5.799998135,,
CHEMBL1589942,CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(N=C5CC[C@H](O)OC5C)c4c3C2=O)NC(=O)C(C)=CC(=O)C2C[C@@H]2[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C,5.399996913,,
CHEMBL1590,CN[C@@H](C)[C@@H](O)c1ccccc1,6.100015437,,
CHEMBL1590038,N#Cc1cccc(NC(=O)N2CC3(CCN(C(=O)Oc4ccccc4)CC3)C2)c1,4.800000875,,
CHEMBL1590048,COC(=O)C1=C(C)N=C(C)C(C(=O)OCCSc2ccccc2)[C@@H]1C,5.499996932,,
CHEMBL1590059,Cc1cnc(CN=c2cc(-c3ccccc3C(F)(F)F)[nH]cn2)cn1,6,,
CHEMBL1590156,FC(F)(F)c1ccccc1-c1c[nH]cnc1=NCCc1c[nH]cn1,6.500038134,,
CHEMBL1590334,O=C(O)c1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21,5.099999035,,
CHEMBL1590360,COc1cccc(-c2cc(=O)c3cc(O)ccc3o2)c1,4.599999383,,
CHEMBL1590663,c1ccc(-c2ccc(N3CCCC4(CCNCC4)C3)cc2)cc1,4.599999383,,
CHEMBL1590769,Cc1ccccc1OC1C=CC(C#Cc2ccc(Br)cc2)OC1CO,5.399996913,,
CHEMBL1590909,COc1ccc2[nH]cc(CCN=c3[nH]c(-c4ccoc4)nc4ccccc34)c2c1,6,,
CHEMBL1590919,O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1,4.899998417,,
CHEMBL159096,CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,4.599999383,,
CHEMBL1591107,Clc1ccccc1-c1nc(=NCc2cccs2)c2ccccc2[nH]1,6.100015437,,
CHEMBL1591181,CC(=O)OCC1OC(C#Cc2ccc(C(C)(C)C)cc2)C=CC1OC(C)=O,5.199998172,,
CHEMBL1591209,NCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1,4.899998417,,
CHEMBL1591275,COc1cccc(N=c2nc3c(c[nH]2)nc(C)c(=O)n3-c2ccccc2)c1,4.499999679,,
CHEMBL1591381,c1ccc(N2CCCC3(CCNCC3)C2)nc1,4.400000186,,
CHEMBL1591460,O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccccn3)C2)CC1,6,,
CHEMBL1591508,O=C(/C=C\c1ccc(Cl)cc1)N[C@@]12CCC(=O)C3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5,4.800000875,,
CHEMBL1591573,O=C(c1csnn1)N1CCC2(CC1)CCN(c1ccccn1)CC2,4.700000504,,
CHEMBL1591635,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2C1CC1,5.399996913,,
CHEMBL1591731,C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)CCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C,6.89997427,,
CHEMBL1591745,O=C1C[C@H](c2ccccc2)[C@@H](c2ccc(Br)cc2)O1,5.499996932,,
CHEMBL1591830,CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@@H](CO[PH](=O)(=O)O[PH](=O)(=O)C(Br)(Br)[PH](=O)(=O)O)[C@H](O)[C@@H]1O,5.499996932,,
CHEMBL1591879,N[N-][C+]1c2ccccc2N[C@H]1OC(=O)Nc1ccccc1,5.799998135,,
CHEMBL1591958,O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ccncc1)C2,4.400000186,,
CHEMBL1591965,CS(=O)(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,4.499999679,,
CHEMBL1592160,COc1cccc(NC(=O)/C=C\c2ccc(Cl)cc2)c1,5,,
CHEMBL1592220,N#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)c4ccco4)CC3)C2)c1,5.399996913,,
CHEMBL1592316,C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1,8.102372909,,
CHEMBL1592327,Cc1ccccc1-c1ccc2ncnc(N(C)C)c2c1,6.400007822,,
CHEMBL1592382,CC(C)C1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@@](NC(=O)C3=CC4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,4.599999383,,
CHEMBL1592464,COc1ccc2[nH]cc(CCN=c3[nH]cncc3-c3ccccc3Cl)c2c1,6.7000571,,
CHEMBL1592493,c1ccc2c(c1)Cc1cc3cc4c(cc3nc1-2)OCO4,5.399996913,,
CHEMBL1592547,COc1ccc(NC(=O)N2CCCC3(CCN(C(=O)c4ccncc4)CC3)C2)cc1,6.199970641,,
CHEMBL1592631,COC(=O)NC(CC(C)=O)c1ccc2c(c1)OCO2,5.199998172,,
CHEMBL15928,COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1,5.099999035,,
CHEMBL1592939,C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2C(=O)CO,4.599999383,,
CHEMBL1592982,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5ccc6c(c5)OCO6)cc34)c2c1,6.89997427,,
CHEMBL1593321,COc1ccc(/C=C/N(CCc2ccc(OC)c(OC)c2)C(C)=O)cc1,5.499996932,,
CHEMBL1593371,CCC/C=C(\CCC)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1,5.499996932,,
CHEMBL1593374,COCCn1c(=O)c(-c2ccc(OC)cc2)nc2c[nH]c(=Nc3ccccc3)nc21,5.499996932,,
CHEMBL1593504,CC(C)CN1CCC2(CC1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,4.899998417,,
CHEMBL1593589,O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1,6.89997427,,
CHEMBL1593596,C=CCOCC/C=C1/c2ccccc2C(OC)C1C,7.500312917,,
CHEMBL1593663,CCN=c1nc2c(c[nH]1)nc(CCc1ccccc1)c(=O)n2-c1ccc(OC)cc1,4.800000875,,
CHEMBL1593723,CC(=O)C1[C@@H]2[C@H]3COC(O3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12,4.499999679,,
CHEMBL1593751,CC1CCC2C(=O)N3C(CCC(C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2C1c1cccc(Br)c1,5.599997654,,
CHEMBL1593754,CCCCCCC1C(=O)O[C@@H](C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C,4.499999679,,
CHEMBL1593788,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CON=CC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1,5.499996932,,
CHEMBL1593805,CC12C=C(/C=C/c3ccc(Br)cc3)C(C)(C1)C(c1ccc(Br)cc1)CC2=O,5.599997654,,
CHEMBL1593827,COc1ccc2[nH]cc(CCN=c3cc(-c4ccc5c(c4)OCO5)[nH]cn3)c2c1,5.799998135,,
CHEMBL1593981,CC[C@H](c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O,5.099999035,,
CHEMBL1594029,COC(=O)C(=CCC(C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OCc1ccccc1,5.499996932,,
CHEMBL1594054,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCc3nc(C)c(C)cc32)cc1,5.499996932,,
CHEMBL1594077,C=CC[C@@H]1C=C[C@@H](O/N=C\c2ccc(C(=O)N3C(C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)[C@@H](CO)O1,5.399996913,,
CHEMBL1594149,N=c1c[n+](N2CCOCC2)[nH]o1,4.499999679,,
CHEMBL1594216,Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(C[C@@H](OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1,4.499999679,,
CHEMBL1594227,C[C@@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1,5.199998172,,
CHEMBL1594258,C=C(C)C(O)/C=C/c1ccc(C)cc1,5.499996932,,
CHEMBL1594421,O=C(c1ccco1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,5.399996913,,
CHEMBL1594648,O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,7.100179498,,
CHEMBL1594761,N#Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cnccn2)CC3)cc1,4.400000186,,
CHEMBL1594947,COc1ccc([C@@H](N=c2nccc[nH]2)c2cc3c(cc2O)OCO3)cc1,5.499996932,,
CHEMBL1595205,COc1ccc(C(=O)N2CCC3(CCN(Cc4ccc(C#N)cc4)CC3)CC2)cc1,4.499999679,,
CHEMBL1596186,O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl,5.499996932,,
CHEMBL1596347,CC(C)n1c(/C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,6.199970641,,
CHEMBL1596698,O=C(NN=Cc1ccc2c(c1)CCC2)c1ccccc1O,5.599997654,,
CHEMBL1597366,N#Cc1cccc(NC(=O)N2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)c1,4.599999383,,
CHEMBL1597572,COc1ccc(/C=C(\C#N)C(N)=O)c(OC)c1,5.399996913,,
CHEMBL1598228,O=C1CCC=CC1[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1,6.100015437,,
CHEMBL1598334,O=C(c1ccncc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,5,,
CHEMBL1598680,COC(=O)C1=C(C)N=C(C)C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1,6.7000571,,
CHEMBL1598994,O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccc(-c4ccccc4)cc3)CC2)CC1,4.899998417,,
CHEMBL1599163,CN=c1[nH]c(-c2ccccc2Cl)nc2ccccc12,6.100015437,,
CHEMBL1599176,CC(=O)O[C@]1(C(C)=O)CC[C@@H]2C3=CC(Cl)=C4CC(=O)C5C[C@@H]5[C@]4(C)[C@H]3CC[C@]21C,4.650000277,,
CHEMBL1599178,O=C(O)C1CCN1,4.400000186,,
CHEMBL1599647,N#CCCN(CC#Cc1ccccc1)OCc1ccccc1,5.499996932,,
CHEMBL1599748,CC(C)CN1CC2(CCN(C(=O)c3ccco3)CC2)C1,4.899998417,,
CHEMBL1600292,O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1,5.399996913,,
CHEMBL1600489,O=S(=O)(c1ccccc1)N1CN2CN(C1)CN(S(=O)(=O)c1ccccc1)C2,6.199970641,,
CHEMBL1600497,CN(C)CCCN1c2ccc3ccccc3c2Sc2cccc(Cl)c21,5.099999035,,
CHEMBL1600520,COc1ccc2c(=O)cc(-c3ccc(O)cc3)oc2c1,5.199998172,,
CHEMBL1600564,CC(C)(Oc1ccc(-c2cccc3ccccc23)cc1)C(=O)O,6.400007822,,
CHEMBL1600908,CCCCC#CC1C=CC(Oc2ccc(C(=O)OC)cc2)C(COC(=O)OCC)O1,5.499996932,,
CHEMBL1601095,O=C(NCCN1CCCCC1)c1ccc(I)cc1,4.499999679,,
CHEMBL1601121,COc1ccc(CN=c2cc(-c3cccc(NS(C)(=O)=O)c3)[nH]cn2)c(OC)c1,6.400007822,,
CHEMBL1601506,Cc1cc2c(nc1C)CCCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21,5.399996913,,
CHEMBL1601824,C/C=C/OC(=O)NC(c1ccccc1)[C@@]1(C(=O)OCC)CCCC1=O,5.399996913,,
CHEMBL1602476,O=P(c1ccccc1)(c1ccccc1)N1CC2(CC2)CC(O)(c2ccccc2)C1,4.400000186,,
CHEMBL1602632,C=C(C)C(O)/C=C/c1cccc(OC)c1,5.099999035,,
CHEMBL1602926,c1ccc(SC(Sc2ccccc2)c2ccc3c(c2)OCO3)cc1,5.499996932,,
CHEMBL1603100,C[C@@H]1CCC2C(=O)NC[C@@H](O)CN2[C@@H]1c1ccc(Br)cc1,5.299997603,,
CHEMBL1603120,O=C(Oc1ccccc1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,5.699991797,,
CHEMBL1603409,Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1,4.499999679,,
CHEMBL1603595,Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1,4.499999679,,
CHEMBL1603627,O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3ccco3)CC2)C1,4.899998417,,
CHEMBL1603665,CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1,4.700000504,,
CHEMBL1604063,Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O[C@@]1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3[C@H](O)[C@@H]1O)C2,5.199998172,,
CHEMBL1604366,[N-]=[N+]=CC(=O)COC(=O)c1ccccc1,5.499996932,,
CHEMBL1604377,Cn1c(=S)c2[nH]c(SCCCc3ccccc3)nc2n(C)c1=O,5.499996932,,
CHEMBL1604914,O=C(O)CCc1ccc(-c2ccccc2)[nH]1,5.499996932,,
CHEMBL1605130,O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2,4.400000186,,
CHEMBL1605152,COc1cccc(C2Oc3ccc(OC)cc3C(NO[C@@H](C)CN3CCCc4nc(C)c(C)cc43)C2=O)c1,5.699991797,,
CHEMBL1605233,CCc1c2c(nc3cccc(C(C)C)c13)-c1cccc(=O)n1C2,4.599999383,,
CHEMBL1606094,c1ccc(NN(Cc2cnccn2)c2ccccc2)cc1,5.499996932,,
CHEMBL1606727,COc1ccc2[nH]cc(CCN=c3[nH]cnc4ccc(-c5cccc(C#N)c5)cc34)c2c1,7.199970641,,
CHEMBL1606796,Cn1cccc1C(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,4.899998417,,
CHEMBL160709,O=C(O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1,5.099999035,,
CHEMBL1607106,COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1,5.399996913,,
CHEMBL1607244,CC(C)c1ccc(C(C(=O)O)C(=O)C(=O)O)cc1,5.499996932,,
CHEMBL1607623,c1ccc(C[C@@H](Nc2cccnc2)c2ccccc2)cc1,5.499996932,,
CHEMBL1607704,CCCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,4.400000186,,
CHEMBL1607905,Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,5.099999035,,
CHEMBL1608337,CC(C)Cn1cnc2c(SCc3ccc(Cl)cc3Cl)[nH]c(=N)nc21,5.099999035,,
CHEMBL1608410,CCCCCCC#Cc1cc(OC)c(OC)cc1C(N1CC(C)c2ccccc21)N1CC(C)c2ccccc21,5.499996932,,
CHEMBL1608678,CCCc1cc2c(n1Cc1ccc(C)cc1)C(C)C1CN(C(=O)c3ccccc3)C(C)(C(=O)OC)C21,5.099999035,,
CHEMBL1608779,COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1,5.499996932,,
CHEMBL1608975,CCC[C@@H]1C[C@@]1(CCC)C(NC(=O)c1ccccc1)c1cccc(Cl)c1,4.700000504,,
CHEMBL1609178,N=C(c1ccc2ccccc2c1)c1ccccc1Cc1ccccc1,5.099999035,,
CHEMBL1610350,COc1ccc2ccccc2c1/C=C\C(=O)c1ccccc1,5.900008766,,
CHEMBL1610944,CC(C(=O)NCc1nc2ccccc2[nH]1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1,5,,
CHEMBL1610945,C[n+]1c(C=Cc2ccc(O)c3ncccc23)[se]c2ccccc21,5.199998172,,
CHEMBL1611,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,4.400000186,,
CHEMBL1611012,O=C(O)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1,5.099999035,,
CHEMBL1611062,COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2cnccn2)CC3)cc1,4.499999679,,
CHEMBL1611308,CC(CCC(=O)O)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1,5.499996932,,
CHEMBL1611413,NS(=O)(=O)c1cc(Br)c(N=Nc2ccc(O)c3ncccc23)c(Br)c1,6.100015437,,
CHEMBL1611446,O=C(O)c1ccccc1C1c2ccccc2Oc2ccccc21,5.399996913,,
CHEMBL1611449,Cc1noc(C)c1-c1cc(N2CCN(C)CC2)ncn1,5.799998135,,
CHEMBL1611630,Cc1noc(C)c1-c1cc(=NC2CCNCC2)[nH]cn1,7.100179498,,
CHEMBL1611893,CN(C)Cc1ccccc1-c1cc(=NC2CC2)[nH]cn1,8.102372909,,
CHEMBL1611906,CO/N=C\c1ccc(C(=O)N2C(C(=O)OC)CC[C@H](C)[C@H]2c2ccc(C)cc2)cc1,5.599997654,,
CHEMBL1611946,CO[C@@H]1COC(=O)C(C)=NC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)C(C)=NC(=O)CCC[C@H]1C,6.199970641,,
CHEMBL1611999,COc1ccc(C(=O)N2CCC3(CC2)CCN(C(c2ccccc2)c2ccccc2)CC3)cc1,4.400000186,,
CHEMBL1612582,CS(=O)(=O)Nc1cccc(-c2nc(=NCc3ccccc3)cc[nH]2)c1,5.900008766,,
CHEMBL1612675,CCCC[C@H]1C[C@@H]1[C@@H]1N(C(C)=O)[C@H](c2cccc(OC)c2)CC12CC2,4.800000875,,
CHEMBL1612908,CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COP(=O)([O-])OCC[n+]1ccsc1)OC,4.400000186,,
CHEMBL161867,C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1,5.699991797,,
CHEMBL1626,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,4.499999679,,
CHEMBL164,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,5,,
CHEMBL16410,CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1,4.400000186,,
CHEMBL164660,O=c1ccc2cc3ccoc3cc2o1,5.099999035,,
CHEMBL1648,COC(=O)C1=C(C)N=C(C)C(C(=O)OC(C)C)C1c1cccc2nonc12,4.700000504,,
CHEMBL164841,COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,5.599997654,,
CHEMBL166161,COC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1,4.599999383,,
CHEMBL16687,N=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,4.499999679,,
CHEMBL16751,COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1,5.399996913,,
CHEMBL168067,C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1,4.400000186,,
CHEMBL168276,O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,5.550007719,,
CHEMBL168461,NC(=S)NCCCC(N)C(=O)O,4.800000875,,
CHEMBL17,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,6.199970641,,
CHEMBL17002,CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2n(CCC)c1=O,4.400000186,,
CHEMBL172064,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2,5.699991797,,
CHEMBL1725279,Oc1c2ccccc2c2c3c(cccc13)N=N2,4.549999531,,
CHEMBL175,CC(C)Cc1ccc(C(C)C(=O)O)cc1,4.499999679,,
CHEMBL1763,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,4.899998417,,
CHEMBL1789981,C[N+]1(CCN=C=NC2CCCCC2)CCOCC1,5.799998135,,
CHEMBL1789985,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1,6,,
CHEMBL180101,CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,4.499999679,,
CHEMBL180966,CN(CC[C@@H](Oc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1)CC(=O)O,5.599997654,,
CHEMBL18132,O=C(O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1,4.799999357,,
CHEMBL182310,C#CCCCCCCCCCCCCCCCC(=O)O,4.899998417,,
CHEMBL18428,CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1,4.499999679,,
CHEMBL186526,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,4.800000875,,
CHEMBL186872,O=C1C2CCN(CC2)C1(CO)CO,7.199970641,,
CHEMBL187734,CCCCCCCCCCCCCCSCC(=O)O,4.400000186,,
CHEMBL18879,C=CC(C)(C)C1=Nc2ccccc2C1=c1c(O)c(O)c(=C2C=Nc3c(CC=C(C)C)cccc32)c(O)c1O,5.099999035,,
CHEMBL19,CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,4.899998417,,
CHEMBL190083,CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,5.049999517,,
CHEMBL1904453,CC(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1,5.499996932,,
CHEMBL19224,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,4.649999302,,
CHEMBL193,COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],4.650000277,,
CHEMBL19449,CC(C)C(=O)c1c(C(C)C)nn2ccccc12,6.199970641,,
CHEMBL19612,NCCCCNCCCN,4.899998417,,
CHEMBL198159,N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1,4.400000186,,
CHEMBL2,COc1cc2[nH]c(N3CCN(C(=O)c4ccco4)CC3)nc(=N)c2cc1OC,4.499999679,,
CHEMBL2028085,COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCNS(C)(=O)=O)CC1,4.400000186,,
CHEMBL2028181,C[C@@H]1c2ccccc2Cn2cc3c(c21)C(=O)c1cccc(O[PH](=O)(=O)OCc2ccccc2)c1C3=O,5.699991797,,
CHEMBL20562,N=C(N)S/C=C\C(=O)O,4.800000875,,
CHEMBL2068217,C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C(=NO)C[C@@H]12,5.499996932,,
CHEMBL208484,COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,6,,
CHEMBL21241,CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O,4.499999679,,
CHEMBL219301,NCCNS(=O)(=O)c1cccc2c(Cl)cccc12,4.599999383,,
CHEMBL221137,CCCCCCCC=CCCc1c(O)c(O)cc(O)c1O,4.599999383,,
CHEMBL221733,Nc1cccc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc12,5.099999035,,
CHEMBL222334,Oc1c(C2=CCC(c3ccc(Cl)cc3)CC2)c(O)c2ccccc2c1O,5.699991797,,
CHEMBL222808,O=C(O)c1cc(C(=O)C(=O)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O,6.500038134,,
CHEMBL222993,O=S(=O)(O)c1cc(/N=[N+](\[O-])c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12,5.099999035,,
CHEMBL225513,O=c1cc(-c2cccc(O)c2)oc2c(O)c(O)ccc12,5.799998135,,
CHEMBL22870,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,4.899998417,,
CHEMBL230056,OCc1cc([C@@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O,4.400000186,,
CHEMBL23293,CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O,4.899998417,,
CHEMBL23327,CC(C)[C@H](CO)N=c1[nH]c(=Nc2cccc(Cl)c2)c2ncn(C(C)C)c2[nH]1,4.74999961,,
CHEMBL23588,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,5,,
CHEMBL236789,CCOC(=O)C1C(C)=NC(=S)NC1c1cccc(O)c1,4.700000504,,
CHEMBL2373564,C=C1[C@@H](O)[C@H]2/C=C/CC(C)C(=O)[C@@](C)(O)/C=C/[C@@H](OC(C)=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@@H]1C,4.499999679,,
CHEMBL2373582,C[C@H]1CCC/C=C/[C@H]2C[C@H](OC(=O)CN(C)C)CC2C(=O)CCC(=O)O1,5.499996932,,
CHEMBL2373608,COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2C1c1ccccc1)c1c3c(O)n(-c2ccccc2)c1O,5.699991797,,
CHEMBL2373625,C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)CC2C(=O)CCC(=O)O1,4.800000875,,
CHEMBL2373626,COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1,4.700000504,,
CHEMBL2373630,CC1=CC(=NO)C([C@H]2C=C(C)CC(C)(C)[C@@H]2O)C(C)(C)C1,5.599997654,,
CHEMBL2373633,CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@@]12OC(C)=O,5,,
CHEMBL2374048,CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@@H]2C[C@@H]4[C@H]1[C@H]2OC,4.599999383,,
CHEMBL2374087,COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2C1c1ccccc1)C(C(=O)OC)C3C(=O)OC,5.399996913,,
CHEMBL23832,O=C(O)c1ccccc1Nc1ccccc1,4.800000875,,
CHEMBL238624,Oc1c(Cl)cc(C(c2cc(Cl)c(O)c(Cl)c2)C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)cc1Cl,7,,
CHEMBL239439,Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12,5.799998135,,
CHEMBL24171,COc1c2ccoc2cc2oc(=O)ccc12,5.299997603,,
CHEMBL241862,COc1ccc(/C=C/C(=O)c2ccccc2O)cc1,5.399996913,,
CHEMBL242080,CC(C)(C)c1cc(O)ccc1O,5.099999035,,
CHEMBL242171,O=c1cc(-c2cccc(O)c2O)oc2ccccc12,4.899998417,,
CHEMBL242172,O=c1c(O)c(-c2cccc(O)c2)oc2ccccc12,4.800000875,,
CHEMBL242383,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)ccc12,5,,
CHEMBL242384,COc1cccc2oc(-c3ccc(O)cc3)cc(=O)c12,4.899998417,,
CHEMBL242385,O=c1cc(-c2ccccc2O)oc2cc(O)cc(O)c12,5.299997603,,
CHEMBL242948,NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,4.400000186,,
CHEMBL243663,COc1ccc2c(=O)cc(-c3ccccc3)oc2c1O,4.800000875,,
CHEMBL243664,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,5.900008766,,
CHEMBL243676,O=c1c(O)c(-c2ccc(O)cc2)oc2ccc(O)cc12,5,,
CHEMBL243677,O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12,5.099999035,,
CHEMBL244707,O=c1cc(-c2ccccc2O)oc2c(O)c(O)ccc12,5.900008766,,
CHEMBL2448564,C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@@]2(C)Oc1ccccc13,4.700000504,,
CHEMBL24909,c1ccc2sc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1,5.099999035,,
CHEMBL24983,O=c1oc(Cl)c(Cl)c2ccccc12,4.800000875,,
CHEMBL249856,CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,4.400000186,,
CHEMBL250517,NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,4.899998417,,
CHEMBL250711,CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1,5.799998135,,
CHEMBL251647,C[C@H](N=C(N=c1cc[nH]cc1)NC#N)C(C)(C)C,4.899998641,,
CHEMBL251941,CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1,4.400000186,,
CHEMBL25230,C=CCN1C[C@H](C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C,5.399996913,,
CHEMBL253765,CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,4.899998417,,
CHEMBL253786,O=c1cc(-c2cccc(O)c2)oc2cc(O)ccc12,4.599999383,,
CHEMBL253978,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O,5.599997654,,
CHEMBL253998,CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O,5.499996932,,
CHEMBL255033,COCCOC(=O)C1=C(C)N=C(C)C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1,6.199970641,,
CHEMBL255044,CCOC(=O)Nc1ccc(=NCc2ccc(F)cc2)[nH]c1N,4.599999383,,
CHEMBL256835,COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1,5.099999035,,
CHEMBL257626,C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1,4.700000504,,
CHEMBL258405,O=C1N=C(c2cccc([N+](=O)[O-])c2)CCN1c1ccccc1O,6,,
CHEMBL258465,c1cc2c3c(c1)c1c(n3CCNC2)CCCC1,5.599997654,,
CHEMBL25856,Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2,4.400000186,,
CHEMBL258767,C[C@@H](NC(=O)C(C#N)=Cc1ccc(O)c(O)c1)c1ccccc1,6.299988938,,
CHEMBL258921,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,5.199998172,,
CHEMBL259073,CC1=C(C(=O)OCc2ccccc2)C(c2ccc3ccccc3c2)NC(=O)N1CCCCCC(=O)O,5.099999035,,
CHEMBL259388,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1,4.499999679,,
CHEMBL259389,N=c1[nH][nH]c2nc3ccccc3nc12,5.699991797,,
CHEMBL260374,S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1,6.799970733,,
CHEMBL261011,CC1=C(C(=O)OCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCCCC(=O)O,4.800000875,,
CHEMBL261557,C[C@H](NC(=O)C(C#N)=Cc1ccc(O)c(O)c1)c1ccccc1,6.100080346,,
CHEMBL26320,c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,4.599999383,,
CHEMBL26424,CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,4.800000875,,
CHEMBL265177,Cc1cc(OCc2[nH]c(=N)[nH]c(=N)c2-c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-],5.799998135,,
CHEMBL265703,CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,6.799970733,,
CHEMBL266591,Cc1[nH]c2ccc(O)cc2c1CCN,4.400000186,,
CHEMBL266625,CC1C(=O)OC2C(O)C34C5CC(C(C)(C)C)C36C(=O)C(O)OC6OC4(C(=O)O5)C12O,4.499999679,,
CHEMBL267458,Cc1[nH]oc(=NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C,6.199970641,,
CHEMBL267548,C=CC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C,5.199998172,,
CHEMBL267777,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.599999383,,
CHEMBL26915,COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1,4.599999383,,
CHEMBL269366,CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O,5.299997603,,
CHEMBL269521,Clc1cncc(N2CCNCC2)n1,5.699991797,,
CHEMBL269550,CCOC(=O)c1cn(Cc2ccccc2)c(O)c1O,5.399996913,,
CHEMBL269733,CN(N=O)c1cc(O)ccc1O,5,,
CHEMBL27006,FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(C(F)(F)F)c1,7.801342913,,
CHEMBL27130,CC(C)(C)c1o[nH]c(=O)c1CC(N)C(=O)O,4.499999679,,
CHEMBL272005,COc1cccc(-c2oc3ccccc3c(=O)c2O)c1,4.899998417,,
CHEMBL273490,CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2,4.400000186,,
CHEMBL274438,CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2,5.399996913,,
CHEMBL275006,CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3,5.900008766,,
CHEMBL275707,C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1,4.899998417,,
CHEMBL275742,CC(C)NC[C@@H](O)COc1cccc2ccccc12,4.899998417,,
CHEMBL275809,COc1ccc(-c2nc(C(=O)N3CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1,4.700000504,,
CHEMBL275938,O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O,4.800000875,,
CHEMBL276140,CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2,8.200659451,,
CHEMBL276727,NC(=O)CI,4.400000186,,
CHEMBL276815,Cc1o[nH]c(=O)c1CC(N)C(=O)O,5,,
CHEMBL277127,COC(=O)C=Cc1cc(O)ccc1O,5.099999035,,
CHEMBL277525,FC(F)(F)c1ccccc1-n1ccnc1,4.800000875,,
CHEMBL277863,COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1,4.899998417,,
CHEMBL278041,Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,4.949999955,,
CHEMBL279218,COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NNC(=O)C2,4.400000186,,
CHEMBL279229,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,4.899998417,,
CHEMBL279678,CCOC(=O)c1cncn1[C@@H](C)c1ccccc1,4.899998417,,
CHEMBL279841,COc1ccccc1N1CCN(CCCCn2c(O)ccc2O)CC1,5.399996913,,
CHEMBL28,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,4.899998641,,
CHEMBL280065,CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,4.499999679,,
CHEMBL281350,Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1,5.099999035,,
CHEMBL281594,Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,4.600000091,,
CHEMBL281622,CCCCC/N=c1\ccn(Cc2ccccc2)c2ccccc12,6.500038134,,
CHEMBL282489,CCC1=C2c3ccc(O)cc3CC(CC)C2c2ccc(O)cc2C1,5.499996932,,
CHEMBL282567,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1,4.899998417,,
CHEMBL283013,COC(=O)C1=C(C)N=C(C)C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F,5.249996336,,
CHEMBL283196,O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,5.099999035,,
CHEMBL284746,Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2,4.400000186,,
CHEMBL284906,O=C(NCCO[N+](=O)[O-])c1cccnc1,5.699991797,,
CHEMBL285932,Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,5.699991797,,
CHEMBL28626,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,5,,
CHEMBL286424,C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2)C1,4.499999679,,
CHEMBL286615,CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12,4.800000875,,
CHEMBL286721,CC(C)[C@H](CO)N=c1[nH]c(=Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2[nH]1,4.700000504,,
CHEMBL286722,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1,4.400000186,,
CHEMBL287045,CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC,4.400000186,,
CHEMBL287689,O=C1C(=O)c2ccccc2C(=O)C1=C(c1ccc(Cl)cc1)c1c(O)c(O)c2ccccc2c1O,5.499996932,,
CHEMBL288096,CCCN1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,4.400000186,,
CHEMBL288174,CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1,4.899998417,,
CHEMBL289233,COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1,4.400000186,,
CHEMBL289277,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,5.249997974,,
CHEMBL289480,C1COC(=NC(C2CC2)C2CC2)N1,5,,
CHEMBL28992,COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2,4.899998417,,
CHEMBL29197,COc1cc2[nH]cnc(=Nc3cccc(Br)c3)c2cc1OC,6.400007822,,
CHEMBL292477,c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1,4.400000186,,
CHEMBL294649,Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21,4.899998417,,
CHEMBL294747,COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,7.400116928,,
CHEMBL296455,CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1,4.849998894,,
CHEMBL296586,O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,5,,
CHEMBL299872,N=c1ccn([C@@H]2CC[C@H](CO)O2)c(=O)[nH]1,5.399996913,,
CHEMBL301742,NC[C@H](CC(=O)O)c1ccc(Cl)cc1,4.800000875,,
CHEMBL302213,NC[C@@H](CC(=O)O)c1ccc(Cl)cc1,4.400000186,,
CHEMBL302795,CN1C(C(=O)N=c2cccc[nH]2)C(=O)c2sccc2S1(=O)=O,5.599997654,,
CHEMBL303516,O=C1Nc2cc(Cl)c(Cl)cc2N2CCNCC12,5.299997603,,
CHEMBL303579,O=C(NC(Cc1ccccc1)C(=O)CCl)OCc1ccccc1,4.899998417,,
CHEMBL304008,O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1,5.099999035,,
CHEMBL30432,CN(C)c1cc2c(=Nc3ccc4c(cnn4Cc4ccccc4)c3)[nH]cnc2cn1,4.899998417,,
CHEMBL304818,Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O,5.299997603,,
CHEMBL305881,O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1,4.900000437,,
CHEMBL310798,N#CC(C#N)=Cc1cc(O)c(O)c(O)c1,4.800000875,,
CHEMBL311158,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,5.299998827,,
CHEMBL311389,O=C(O)c1cc(=O)c2ccc(Cl)cc2[nH]1,4.499999679,,
CHEMBL311489,O=C1C(=O)C(C(=CCc2ccccc2)c2c(O)c(O)c3ccccc3c2O)C(=O)c2ccccc21,5.499996932,,
CHEMBL313842,COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F,6,,
CHEMBL313971,COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O,5.800000282,,
CHEMBL313972,C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1,5.349998276,,
CHEMBL315268,Cc1o[nH]c(=O)c1CCC(N)C(=O)O,5,,
CHEMBL31574,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,4.649999943,,
CHEMBL315795,Cc1ncsc1CCCl,5.599997654,,
CHEMBL317221,COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O)c1,5.699991797,,
CHEMBL319111,O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1,5.249997974,,
CHEMBL319557,C=CCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3,4.499999679,,
CHEMBL322970,O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])C1=Nc1ccc(O)c(Cl)c1,4.499999679,,
CHEMBL323197,COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C=CC(C)C,5.299997603,,
CHEMBL323356,Cc1cc(=NC(=O)Nc2ccc3c(ccn3C)c2)s[nH]1,5.599997654,,
CHEMBL32503,COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1,5.499996932,,
CHEMBL325109,COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,5.099999035,,
CHEMBL327708,CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O,5.499996932,,
CHEMBL330320,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2,4.400000186,,
CHEMBL332898,Clc1cccc(N=c2[nH]nc(-c3ccccc3)c3ccccc23)c1,5.399996913,,
CHEMBL332935,CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,4.899998417,,
CHEMBL333985,OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1,4.499999679,,
CHEMBL334378,O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1ccc(Oc2ccccc2)cc1,4.899998417,,
CHEMBL3350578,COc1ccc(-c2csc3c2[N+]2=C(CC=C2)C3[O-])cc1,5.199998172,,
CHEMBL3351063,CN(C)c1ccc(C(=C2C(=O)C(S(=O)(=O)[O-])=Cc3cc(S(=O)(=O)O)ccc32)c2ccc([NH+](C)C)cc2)cc1,5.599997654,,
CHEMBL3351080,O=C(c1[nH]o[n+](=O)c1C(=O)c1csc2ccccc12)c1csc2ccccc12,5.799998135,,
CHEMBL335741,CC(=O)C(C)=NO,4.449999932,,
CHEMBL336095,O=C1CC(=NCCc2cc(Br)c(O)c(Br)c2)C(=O)c2ncccc21,5.799998135,,
CHEMBL338314,O=c1[nH]ccc2c(O)cccc12,4.599999383,,
CHEMBL338790,Nc1ccc2c3c(cccc13)C(=O)NC2=O,4.400000186,,
CHEMBL33884,Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21,5,,
CHEMBL3392050,CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,4.400000186,,
CHEMBL340211,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,4.899998417,,
CHEMBL342375,O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21,4.700000504,,
CHEMBL34730,COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl,4.850000252,,
CHEMBL350343,CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,4.800000875,,
CHEMBL351585,Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O,5.299997603,,
CHEMBL352396,CC(C)CC(NC(=O)N1CCCCCC1)C(=O)NC(Cc1cn(C)c2ccccc12)C(=O)NC(Cc1ccccn1)C(=O)O,5.199998172,,
CHEMBL354646,CN(C)C/C=C(\c1ccc(Br)cc1)c1cccnc1,5.299997603,,
CHEMBL35482,COc1cccc(-c2cc(=O)c3ccccc3o2)c1N,4.499999679,,
CHEMBL356388,CCOC(=O)c1c[nH]c2c(cnn2CC)c1=NN=C(C)C,4.499999679,,
CHEMBL356716,CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1,6.199970641,,
CHEMBL36148,COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,7.899629455,,
CHEMBL362223,Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(F)cc12,6.299988938,,
CHEMBL362863,CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2c[nH]cn2)c1,6.199970641,,
CHEMBL364713,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,6.89997427,,
CHEMBL365739,c1ccc2c(c1)[I+]c1ccccc1-2,6.5,,
CHEMBL36994,COc1ccc(C(=O)N2CCCC2=O)cc1,5.199998172,,
CHEMBL37081,N#CC(=Cc1ccc(O)c(O)c1)C(=O)OCCc1cccs1,4.800000875,,
CHEMBL372505,Oc1cc2c(cc1O)=C1c3ccc(O)c(O)c3OC[C@]1(O)C=2,5.399996913,,
CHEMBL372797,NC(Cn1ccc(=O)n(Cc2ccccc2C(=O)O)c1=O)C(=O)O,5.199998172,,
CHEMBL375270,O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,5.199998172,,
CHEMBL376897,C[N+]1(C)[C@H]2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,4.400000186,,
CHEMBL383634,COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,4.899998417,,
CHEMBL384903,O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O,6.100015437,,
CHEMBL38576,CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1ccccc1,7,,
CHEMBL388342,COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C,4.499999679,,
CHEMBL388590,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,7.751244918,,
CHEMBL39,NCCc1c[nH]c2ccc(O)cc12,4.800000875,,
CHEMBL391997,Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2,5.199998457,,
CHEMBL392394,CSc1nc(=NC2CCCC2)c([N+](=O)[O-])c(NC2CCCC2)[nH]1,5.699991797,,
CHEMBL393136,CC(C)=CCc1c2c(c3occ(-c4ccc(O)c(O)c4)c(=O)c3c1O)C=CC(C)(C)O2,5.499996932,,
CHEMBL39317,CS(=O)(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)cc1,4.499999679,,
CHEMBL39372,NC(C(=O)O)c1ccc(C(=O)O)c(O)c1,4.800000875,,
CHEMBL395808,COc1cc(-c2cc(=O)c3ccccc3o2)ccc1O,5.199998172,,
CHEMBL395915,O=C(O)Cc1c[nH]c2ccc(O)cc12,4.400000186,,
CHEMBL397565,NCCSCC(N)C(=O)O,5.900008766,,
CHEMBL398673,O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,5.099999035,,
CHEMBL39878,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1,5.299997603,,
CHEMBL399121,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,4.900000437,,
CHEMBL399249,O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21,4.899998417,,
CHEMBL399491,S=C(S)N1CCCC1,5.199996151,,
CHEMBL400875,COC(=O)C1=C(C)N=C(C)C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12,6.100015437,,
CHEMBL402468,COC1=C(OC)C(=O)c2ccccc2C1=O,4.400000186,,
CHEMBL405355,COC(=O)C1=C(C)N=C(C)C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,5.70000652,,
CHEMBL405358,Cc1ccc(O)c(N=Nc2ccccc2)n1,4.899998417,,
CHEMBL406835,O=c1cc(-c2ccccc2O)oc2ccc3ccccc3c12,4.499999679,,
CHEMBL407232,Cc1cccc(/C=C\c2ccccc2)n1,5.399996913,,
CHEMBL407874,N=c1nc(OCc2ccccc2)c2[nH]cnc2[nH]1,4.400000186,,
CHEMBL409024,NC(Cc1cc(-c2ccc(Cl)cc2Cl)cc(C[PH](=O)(=O)O)c1O)C(=O)O,4.700000504,,
CHEMBL409902,CC1=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)NC(=O)N1CCCCCC(=O)O,4.899998417,,
CHEMBL411502,CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)NC(=O)N1CCCCCC(=O)O,4.599999383,,
CHEMBL41631,NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,5.199997675,,
CHEMBL41632,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,5.299997603,,
CHEMBL416657,CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,5.199998172,,
CHEMBL417799,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,4.800000875,,
CHEMBL42,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,4.400000186,,
CHEMBL421215,O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc21,5.900008766,,
CHEMBL42485,CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1,6.100015437,,
CHEMBL42501,Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1,4.400000186,,
CHEMBL428647,CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C1=O)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)C2(C)C,4.599999383,,
CHEMBL428814,COc1cccc(-c2ccc3[nH]cnc(=NCc4ccc(OC)cc4OC)c3c2)c1,6.299988938,,
CHEMBL429023,C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4C2C3=O)O1,4.499999679,,
CHEMBL429095,O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21,5.09999801,,
CHEMBL429298,O=S(=O)(c1cccc2c(Cl)cccc12)N1CCCNCC1,4.650000277,,
CHEMBL429711,CNC(=O)c1cc2c(cn1)[nH]c1ccccc12,4.499999679,,
CHEMBL43,COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccccc12,4.899998417,,
CHEMBL430893,COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1,4.400000186,,
CHEMBL431367,Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,4.899998417,,
CHEMBL433461,CN=c1[nH]c(NC)cc(=NS(=O)(=O)c2ccc(N)cc2)[nH]1,5.699991797,,
CHEMBL434063,CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1,4.749999839,,
CHEMBL434119,NC(C(=O)O)C(CC(=O)O)c1ccc(Cl)cc1,4.400000186,,
CHEMBL43469,c1cc2c(cc1[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2,5.399996913,,
CHEMBL435,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,4.799999357,,
CHEMBL435734,COc1cc(CC2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,4.800000875,,
CHEMBL437,Nc1ccc(S(=O)(=O)N=c2[nH]ccs2)cc1,5,,
CHEMBL438,Cc1cc[nH]c(=NS(=O)(=O)c2ccc(N)cc2)n1,8.301029996,,
CHEMBL440298,N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1,7.801342913,,
CHEMBL441282,CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1,5.499996932,,
CHEMBL441618,CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1,5,,
CHEMBL442800,Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2,4.700000504,,
CHEMBL443893,CNC[C@H](O)c1ccc(O)cc1,4.400000186,,
CHEMBL445102,OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1,4.400000186,,
CHEMBL446774,O=C(O)CC1CCCc2ccccc2C1=O,5.399996913,,
CHEMBL447347,Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12,5.699991797,,
CHEMBL45068,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,5.249998036,,
CHEMBL45281,CCCN(CC1CC1)c1[nH]c(C)nc(=Nc2c(Cl)cc(Cl)cc2Cl)c1Cl,4.499999679,,
CHEMBL453,Cc1[nH]oc(=NS(=O)(=O)c2ccc(N)cc2)c1C,4.400000186,,
CHEMBL455185,C[C@H](NC[C@H](O)C[PH](=O)(=O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1,4.800000875,,
CHEMBL456,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,6.199970641,,
CHEMBL457,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,5.199998172,,
CHEMBL457665,NC(CSS(=O)(=O)O)C(=O)O,4.899998417,,
CHEMBL461903,CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C,8.200659451,,
CHEMBL462880,COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CCN1C,4.599999383,,
CHEMBL46516,O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,4.400000186,,
CHEMBL469309,Oc1ccccc1C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1,5.499996932,,
CHEMBL470881,COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,4.400000186,,
CHEMBL471005,FC(F)(F)c1nc2cc(SSc3ccc4[nH]c(C(F)(F)F)nc4c3)ccc2[nH]1,5.099999035,,
CHEMBL471225,Nc1c(S(=O)(=O)O)cc(Nc2cccc(S(N)(=O)=O)c2)c2c1C(=O)c1ccccc1C2=O,5.499996932,,
CHEMBL471226,O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc2c[nH]nc2c1,7.100179498,,
CHEMBL472,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,5.599997654,,
CHEMBL472656,O=c1[nH]c(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(=S)[nH]1,5.900008766,,
CHEMBL472994,c1cc(-c2sc(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1,5.699991797,,
CHEMBL473104,O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1,4.449999932,,
CHEMBL473535,Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O,6.400007822,,
CHEMBL474415,COc1ccc(CN=c2[nH]cnc3ccc(-c4ccccc4CN(C)C)cc23)c(OC)c1,6.799970733,,
CHEMBL476135,Nc1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1,5.299997603,,
CHEMBL476833,Cc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1,5.199998172,,
CHEMBL478,Clc1cccc(N2CCNCC2)c1,5,,
CHEMBL47940,N=c1[nH]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1,4.499999679,,
CHEMBL480,Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,4.400000186,,
CHEMBL486817,Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12,4.800000875,,
CHEMBL488803,Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,4.899998417,,
CHEMBL489156,COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1,4.599999383,,
CHEMBL489525,COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,4.899998417,,
CHEMBL489534,COc1cccc(-c2c[nH]cnc2=NCc2ccccc2OC)c1,6.199970641,,
CHEMBL489738,COc1ccccc1CN=c1[nH]cncc1-c1ccc(N(C)C)cc1,5.799998135,,
CHEMBL49,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,5.099999035,,
CHEMBL490913,Cc1cccc(CN=c2[nH]cncc2-c2cccc(NS(C)(=O)=O)c2)c1,6,,
CHEMBL491548,Cc1cccc(CN=c2[nH]cnc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc23)c1,6.100015437,,
CHEMBL491555,COc1cccc(-c2c[nH]cnc2=NCc2ccc(OC)cc2OC)c1,6,,
CHEMBL491578,COc1ccc(CN=c2[nH]cncc2-c2ccccc2Cl)c(OC)c1,6.100015437,,
CHEMBL491940,COc1cccc(-c2ccc3[nH]cnc(=NCc4ccccc4OC)c3c2)c1,6.199970641,,
CHEMBL491960,O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc1c(O)ccc2ccccc12,5.099999035,,
CHEMBL493044,CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1,5.599997654,,
CHEMBL494753,C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,4.899998417,,
CHEMBL50112,O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,4.400000186,,
CHEMBL50267,O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1,4.400000186,,
CHEMBL507,Cn1cnc(CCN)c1,4.400000186,,
CHEMBL51,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,5.399996913,,
CHEMBL51085,O=c1c2ccccc2[se]n1-c1ccccc1,6.550089749,,
CHEMBL512832,BrC(c1cccc2ccccc12)c1cccc2ccccc12,5.499996932,,
CHEMBL512908,O=C1c2ccccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21,5.799998135,,
CHEMBL51483,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,4.650000277,,
CHEMBL515505,N=c1nc(Sc2ccc([N+](=O)[O-])c3nonc23)c2[nH]cnc2[nH]1,5.499996932,,
CHEMBL516616,O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21,5.099999035,,
CHEMBL520107,Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1,4.899998417,,
CHEMBL523283,Cc1cccc(CN=c2[nH]cncc2-c2ccccc2C)c1,5.900008766,,
CHEMBL527,CN1C(C(=O)N=c2cccc[nH]2)C(=O)c2ccccc2S1(=O)=O,4.899998417,,
CHEMBL53,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,4.499999679,,
CHEMBL539947,CC(C)(C)c1cc(C=C(C#N)C(N)=S)cc(C(C)(C)C)c1O,7,,
CHEMBL54,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,4.499999679,,
CHEMBL54909,COc1cc2ccc(=O)oc2c(O)c1O,4.599999383,,
CHEMBL552439,Cc1cc(Cl)ccc1Nc1sc(C(=O)c2cc3cc(Cl)ccc3o2)c(N)c1C#N,5.900008766,,
CHEMBL559,NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,5.199998172,,
CHEMBL559612,CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1,4.599999383,,
CHEMBL559934,NC1(C(=O)O)CCCCC1,4.899998417,,
CHEMBL56331,Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,4.499999679,,
CHEMBL56367,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,5.249998466,,
CHEMBL56543,N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1ccccc1,6.599980365,,
CHEMBL567331,c1csc(CN=c2[nH]cnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,6.100015437,,
CHEMBL574985,C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc21,5.399996913,,
CHEMBL580421,CC1(C)C(=O)N=C2c3ccccc3C(=O)C(=O)C21,4.599999383,,
CHEMBL585,N=c1[nH]c(=N)c2nc(-c3ccccc3)c(=N)[nH]c2[nH]1,4.599999383,,
CHEMBL587849,Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21,6.500038134,,
CHEMBL589,CCCN(CCC)CCc1cccc2[nH]c(O)cc12,4.400000186,,
CHEMBL590,CC1=CC(=O)c2ccccc2C1=O,5.199998172,,
CHEMBL595227,N=C1Sc2ccccc2C2=NCCCN12,6.100015437,,
CHEMBL596674,CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1,4.899998417,,
CHEMBL598270,CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,4.800000875,,
CHEMBL598952,O=c1onc2cnc3ccccc3n12,4.400000186,,
CHEMBL6,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,4.550000345,,
CHEMBL605003,CN(C)S(=O)(=O)c1ccc2[nH]c(O)c(C=c3cc4c([nH]3)=CCCC4)c2c1,5,,
CHEMBL60718,Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl)cc1,4.700000504,,
CHEMBL611494,CCC1C(=O)OC[C@H]1Cc1cncn1C,4.499999679,,
CHEMBL6246,O=c1c(O)cc2c(O)oc3c(=O)c(O)cc4c(O)oc1c2c43,4.400000186,,
CHEMBL62919,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1,4.599999383,,
CHEMBL63154,CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,5.299997603,,
CHEMBL633,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,7.651171775,,
CHEMBL63323,O=C(O)c1ccc[nH]c1=Nc1cccc(C(F)(F)F)c1,4.499999679,,
CHEMBL654,CN1CCN2c3ncccc3Cc3ccccc3C2C1,7.300162274,,
CHEMBL66654,Cc1cccc(C#Cc2ccccc2)n1,5,,
CHEMBL6705,Nc1ccccc1S(N)(=O)=O,5.399996913,,
CHEMBL672,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,5.299997603,,
CHEMBL68131,CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1,4.400000186,,
CHEMBL685,COC(=O)N=c1[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1,5.799998135,,
CHEMBL68534,N#CC(=Cc1c[nH]c2ccccc12)C(=O)c1ccc(O)c(O)c1,4.499999679,,
CHEMBL686,Cc1cccc(Nc2ccccc2C(=O)O)c1C,5.099999035,,
CHEMBL69367,CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21,4.800000875,,
CHEMBL704,Nc1ccc(O)c(C(=O)O)c1,4.899998417,,
CHEMBL70927,Cc1c(O)c(=O)ccn1C,5.599997654,,
CHEMBL71294,O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1,4.800000875,,
CHEMBL72365,O=C1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1,6.000088957,,
CHEMBL7257,COc1ccc2[nH]cc(CCN(C)C)c2c1,4.400000186,,
CHEMBL72631,COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,4.400000186,,
CHEMBL73310,CC=C(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,4.899998417,,
CHEMBL744,N=c1[nH]c2ccc(OC(F)(F)F)cc2s1,5.399996913,,
CHEMBL7463,CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,4.800000875,,
CHEMBL74656,COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1OC,5.499996932,,
CHEMBL75124,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,5.499996932,,
CHEMBL7634,O=C1CCCN1CC#CCN1CCCC1,5.849995899,,
CHEMBL7679,O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12,4.800000875,,
CHEMBL76904,N#CC(C#N)=Cc1ccc(O)c(O)c1,4.799999357,,
CHEMBL77030,N#CC(=Cc1ccc(O)c(O)c1)C(N)=S,4.599999383,,
CHEMBL771,NC1CONC1=O,4.400000186,,
CHEMBL77287,O=C(O)C1=CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1,5.599997654,,
CHEMBL77387,N#CC(C#N)=Cc1ccc([N+](=O)[O-])c(O)c1,4.499999679,,
CHEMBL778,Cc1cccc([C@H](C)c2c[nH]cn2)c1C,6.7000571,,
CHEMBL78150,CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O,7.500312917,,
CHEMBL786,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,4.499999679,,
CHEMBL790,N=C(N=C(N)NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1,4.800000875,,
CHEMBL79140,NC(C(=O)O)C(OCc1ccccc1)C(=O)O,5,,
CHEMBL799,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,4.400000186,,
CHEMBL8,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,4.899998417,,
CHEMBL80155,COc1cc(C=C(C#N)C#N)cc(O)c1O,5.599997654,,
CHEMBL806,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,4.649999302,,
CHEMBL81977,NC(=O)c1cccc(N)c1,4.899998417,,
CHEMBL826,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,4.800000875,,
CHEMBL8260,O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12,5.299997603,,
CHEMBL832,O=c1c(CC[S+]([O-])c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1,5,,
CHEMBL83668,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,5.900008766,,
CHEMBL83899,COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1,6.599980365,,
CHEMBL84158,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,4.899998417,,
CHEMBL84567,CCCCN=c1c(C(=O)OCC)c(C)[nH]c2c1cnn2CC,4.449999932,,
CHEMBL85251,CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1,4.599999383,,
CHEMBL862,N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,4.499999679,,
CHEMBL86313,C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)[PH](=O)(=O)O,6.199970641,,
CHEMBL86537,O=C1CCc2c(ccc3ccccc23)O1,5.099999035,,
CHEMBL86931,NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(O)c2O,5.199998172,,
CHEMBL87333,Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,4.599999383,,
CHEMBL87418,CC(C)(C)NC[C@@H](O)COc1ccccc1C1CCCC1,4.899998417,,
CHEMBL8809,CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,5.099999035,,
CHEMBL88147,O=C(Cc1ccccc1)N=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,5.499996932,,
CHEMBL90769,C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1,4.700000504,,
CHEMBL91,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,6.500038134,,
CHEMBL91776,CCC1C(=O)OC[C@@H]1Cc1cncn1C,4.899998417,,
CHEMBL9225,CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1,5.299997603,,
CHEMBL92387,Cc1ccc(C[N+](C)(C)C)o1,4.499999679,,
CHEMBL92870,Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.800000875,,
CHEMBL932,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,5.199998319,,
CHEMBL9352,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,4.899998417,,
CHEMBL93645,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,5.799998135,,
CHEMBL93655,COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1,5.599997654,,
CHEMBL942,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,4.800000875,,
CHEMBL9514,COC(=O)N=c1[nH]c2ccc(C(=O)c3cccs3)cc2[nH]1,5.500003901,,
CHEMBL95431,N=c1c(C(N)=O)n[nH]n1Cc1cc(Cl)c(C(=O)c2ccc(Cl)cc2)c(Cl)c1,6.299988938,,
CHEMBL960,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,4.499999679,,
CHEMBL964,CCN(CC)C(=S)SSC(=S)N(CC)CC,6.000002738,,
CHEMBL9643,COC(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1,4.899998417,,
CHEMBL97450,CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1,4.599999383,,
CHEMBL98350,O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,4.400000186,,