1133 SMILES Strings for G-protein coupled bile acid receptor 1
Compound Name
SMILES String
Brc1ccc(CCNCc2cc3ccccc3nc2-c2ccsc2)cc1
CC(=C)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r|
CC(=C)C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)CCC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r,w:20.20|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r,w:20.20|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC6(OCCO6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@](O)(CC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)N1CC(O)C1O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NC(CO)CO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NC1CC1 |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCC(N)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCC(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCCCCCO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCCO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)NCCOCCO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCN |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCN1C(=O)c2ccccc2C1=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCNC(=O)OC(C)(C)C |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCc1ccccc1 |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)Oc1ccncc1 |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(N)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)N=C=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NC(C)(C)CO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NC1CC1 |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NCC(O)CO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NCCO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NC(=O)NCCOCCO |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@](O)(CC=C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r|
CC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cnccc1-c1ccccc1
CC(=O)OCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CC(=O)ON=C1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r,w:4.3|
CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
CC(=O)c1cc(ccc1O)C(=O)N1CCN(C2CC2)c2ccccc12
CC(=O)c1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
CC(C)(c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
CC(C)(c1cnc(SCCOCc2ccc(cc2)-c2nnn[nH]2)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
CC(C)(c1cnc(SCCOCc2ccc(cc2)C#N)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
CC(C)(c1cnc(n1-c1ccc(F)cc1)S(=O)(=O)CCOCc1ccc(cc1)C#N)c1ccc(Cl)c(Cl)c1
CC(C)C(=O)ON=C1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r,w:6.5|
CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r|
CC(C)N(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
CC(C)N(C(=O)c1c(onc1-c1ccccc1Cl)C(C)C)c1ccc(Cl)cc1
CC(C)N(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CC(C)N(Cc1ccc(C)nc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CC(C)N1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CC(C)Oc1ccccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)Oc1ncccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(C)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
CC(C)c1onc(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1Cl
CC(CC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CC(CCC(O)=O)C1CCC2C3CC[C@H]4CC(O)CC[C@@]4(C)C3CC(O)[C@]12C
CC(CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CC(CO)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
CC(N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(NCc1cnccc1-c1ccccc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(Oc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
CC1(C)SC[C@H](N1Cc1cc(Cl)ccc1Cl)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@H](CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
CC1(CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)C(O)=O |r|
CC1CCCCN1c1ccncc1N(C)C(=O)c1cc(Cl)cc(Cl)c1
CC1CCCCN1c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC1CCN(C(=O)[C@@H]2CCCN2Cc2cc(Cl)ccc2Cl)c2ccccc12 |r|
CCC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OC
CCC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OC
CCC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cnccc1-c1ccccc1
CCC(=O)ON=C1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r,w:5.4|
CCC(C)COc1cccc(OCc2ccc3ccccc3n2)c1
CCC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CCC(C)Oc1cccc(OCc2ccc3ccccc3n2)c1
CCC(CC(N=O)c1ccncc1)c1ccc(cc1)N(C)C
CCC(N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCC(NCc1cnccc1-c1ccccc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCC1(CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1)c1ccc(Cl)c(OC)c1
CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
CCCCCOc1cccc(OCc2ccc3ccccc3n2)c1
CCCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CCCCOc1cccc(OCc2ccc3ccccc3n2)c1
CCCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
CCCN(Cc1cnccc1-c1ccccc1F)C(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCCOc1cccc(OCc2ccc3ccccc3n2)c1
CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(=O)NCCS(O)(=O)=O
CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
CCCc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
CCCc1onc(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1Cl
CCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
CCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(Cl)c1
CCN(C(=O)c1c(CC)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
CCN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C
CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1cnc(nc1)C#N |r|
CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(nc1)C#N |r|
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(C)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC(F)(F)F)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(nc1)C(C)(F)F
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccccc1
CCOC(=O)CCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CCOC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CCOC(=O)CCc1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
CCOC(=O)CCc1oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C
CCOC(=O)CN(C)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CCOC(=O)CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CCOC(=O)CNC(=O)CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOC(=O)CNC(=O)CCc1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C
CCOC(=O)CNC(=O)Cc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
CCOC(=O)CNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r|
CCOC(=O)CNC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C
CCOC(=O)CNC(=O)c1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
CCOC(=O)CNC(=O)c1oc2cc(Cl)c(cc2c1C)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
CCOC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOC(=O)OCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOC(=O)\C=C\c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c2c1C
CCOC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOC(=O)c1oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc2c1C
CCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
CCOc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(=O)NCCS(O)(=O)=O
CC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCN)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)OC\C=C\c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](O)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CCc1cc(c(cn1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1C
CCc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
CCc1ccccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CCc1nnn(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1
CCc1onc(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1
CCc1onc(c1C(=O)N(C)c1ccc(Cl)cc1)-c1ccccc1Cl
CCn1c2nnc(SCc3ccc(cc3)C(F)(F)F)n2c2ccccc2c1=O
CN(C(=O)C1(CC1)C(=O)N1CCCc2ccccc12)c1cc(Cl)ccc1Cl
CN(C(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)c1ccccc1OC1CC1 |r|
CN(C(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)c1ccccc1OC1CCC1 |r|
CN(C(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)c1ccccc1OCC1CC1 |r|
CN(C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 |(6.72,-10.23,;6.72,-9.41,;6.01,-8.99,;6.01,-8.17,;5.29,-9.4,;5.04,-10.19,;5.52,-10.86,;4.21,-10.19,;3.96,-9.4,;4.62,-8.92,;4.62,-8.09,;3.91,-7.68,;3.2,-8.09,;3.91,-6.85,;4.62,-6.44,;5.34,-6.85,;5.34,-7.68,;6.16,-7.68,;7.44,-9,;8.15,-9.41,;8.86,-9,;8.87,-8.18,;9.58,-7.76,;8.15,-7.76,;7.44,-8.17,)|
CN(C(=O)c1c(C)onc1-c1c(F)cccc1Cl)c1ccc(Cl)cc1 |(15.83,-10.34,;15.83,-9.51,;15.12,-9.1,;15.12,-8.28,;14.4,-9.51,;14.15,-10.3,;14.63,-10.96,;13.32,-10.3,;13.07,-9.51,;13.73,-9.02,;13.73,-8.2,;14.45,-7.79,;14.85,-8.5,;14.45,-6.95,;13.73,-6.55,;13.02,-6.96,;13.02,-7.79,;12.3,-8.2,;16.55,-9.1,;17.26,-9.52,;17.97,-9.11,;17.98,-8.28,;18.69,-7.87,;17.26,-7.87,;16.54,-8.28,)|
CN(C(=O)c1c(C)onc1-c1ccc(C)cc1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccc(F)cc1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1cccc(C)c1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1cccc(Cl)c1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1cccc(F)c1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1C(F)(F)F)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1C)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cc(Br)c(C)c(Br)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Br)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(C)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)c(C)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1C
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1Cl
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(F)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(I)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C#N
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(C)(C)C
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(C)=O
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(F)(F)F
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)S(C)(=O)=O
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(C)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(Cl)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(F)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1C
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1Cl
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1F
CN(C(=O)c1c(C)onc1-c1ccccc1F)c1ccc(Cl)cc1
CN(C(=O)c1c(onc1-c1ccccc1Cl)C1CC1)c1ccc(Cl)cc1
CN(C(=O)c1cc(Br)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(C)cc(C)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(C)cc(C)n1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(C)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(C)nc(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(CO)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(Cl)cc(C)n1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cnc(Cl)cc1-c1ccccc1C
CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cnccc1-c1ccc(F)cc1C
CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)cc(Cl)n1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)cc(OC(F)(F)F)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)nc(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(Cl)nc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(F)c(F)c(F)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(F)cc(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(F)cc(F)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(F)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(N)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(NCCO)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(O)cc(c1)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(SC2CNC2)cc(c1)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OC(F)(F)F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C#N)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(C)(C)O)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(C)cc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(Cl)cc1-c1cc(F)ncc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(Cl)cc1-c1ccc(F)cc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(Cl)cc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(Cl)cc1-c1ncccc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(N)cc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)-c1ccc[nH]1
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C#N
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(CC1)S(C)(=O)=O
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1[nH]ncc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1c(C)nn(C)c1C |(1.14,-.42,;.24,-1.67,;-1.29,-1.51,;-2.2,-2.76,;-1.92,-.1,;-3.45,.06,;-4.08,1.47,;-3.17,2.71,;-1.64,2.55,;-1.02,1.14,;-.74,3.8,;.17,5.04,;.51,2.89,;-1.98,4.7,;-5.61,1.63,;-7.14,1.79,;-5.45,3.16,;-5.77,.09,;.86,-3.08,;-.04,-4.32,;.58,-5.73,;2.12,-5.89,;3.02,-4.65,;2.39,-3.24,;3.3,-1.99,;4.84,-1.99,;5.75,-3.24,;5.32,-.53,;4.07,.38,;4.07,1.92,;2.82,-.53,;1.58,.38,)|
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1c(C)noc1C |(-.29,-1.71,;1.17,-1.24,;1.49,.27,;2.96,.74,;.35,1.3,;.67,2.81,;-.48,3.84,;-1.94,3.36,;-2.26,1.85,;-1.12,.82,;-3.73,1.38,;-5.19,.9,;-4.2,2.84,;-3.25,-.09,;-.16,5.34,;.16,6.85,;1.35,5.02,;-1.66,5.66,;2.32,-2.27,;3.78,-1.79,;4.92,-2.82,;4.6,-4.33,;3.14,-4.8,;2,-3.77,;.53,-4.25,;.05,-5.71,;.96,-6.96,;-1.49,-5.71,;-1.96,-4.25,;-.72,-3.35,;-1.19,-1.88,)|
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1c(F)cccc1F |(-1.34,.52,;-1.34,-1.02,;-.01,-1.79,;-.01,-3.33,;1.33,-1.02,;1.33,.52,;2.66,1.29,;3.99,.52,;3.99,-1.02,;2.66,-1.79,;5.33,-1.79,;6.66,-2.56,;4.56,-3.13,;6.1,-.46,;2.66,2.83,;2.66,4.37,;4.2,2.83,;1.12,2.83,;-2.67,-1.79,;-2.67,-3.33,;-4.01,-4.1,;-5.34,-3.33,;-5.34,-1.79,;-4.01,-1.02,;-4.01,.52,;-2.67,1.29,;-1.14,1.45,;-2.67,2.83,;-4.01,3.6,;-5.34,2.83,;-5.34,1.29,;-6.67,.52,)|
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(C)ccc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(Cl)ccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(F)ccc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(F)cnc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(ccc1C)C(O)=O
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(C)cc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(Cl)cc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1O
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OCC#N
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OCCO
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OCc1ccccc1
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccc(C)c1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccc(Cl)c1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccc(Cl)n1
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccc(F)c1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccc(F)c1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C#N
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C(F)(F)F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1CC#N
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1CCO
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1N
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1OC(F)(F)F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccnc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccnc1OCC(F)(F)F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccnc1OCC1CC1
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccnc(Cl)c1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccncc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccncc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ncccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ncccc1F
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1sc(C)nc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1C1=CCOCC1 |t:26|
CN(C(=O)c1cc(cc(c1)C(F)(F)F)N1CCCC1=O)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)N1CCOCC1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnc(C)cc1-c1cc(F)ccc1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnc(C)cc1-c1ccccc1OC1COC1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnc(C)cc1-c1ccccc1OCC1COC1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnc(Cl)cc1-c1cc(F)ccc1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cc(F)ccc1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OCc1ccccc1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cccc(F)c1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OC(F)(F)F
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OC1CC1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OC1CCC1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OC1COC1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OCc1ccccc1
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cccnc1Cl
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cccnc1OC1CN(C1)C(=O)OC(C)(C)C
CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cccnc1OCC(F)(F)F
CN(C(=O)c1cc(cc(n1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(ccc1F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cc(nc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(Br)c(c1)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C(=O)c1ccc(C)c(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(Cl)c(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(Cl)c(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(F)c(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(F)c(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(c(Cl)c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(c(F)c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(c(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1ccc(cc1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cccc(Cl)c1)c1cnccc1-c1ccccc1C
CN(C(=O)c1cccc(c1)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cccc(c1F)C(F)(F)F)c1cnccc1-c1ccccc1C
CN(C(=O)c1cnccc1Oc1cc(Cl)ccc1Cl)c1ccccc1Cl
CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1
CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1C
CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1N
CN(C(=O)c1conc1-c1ccccc1Cl)c1ccc(Cl)cc1
CN(C)C(=O)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CN(C)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccccc1C
CN(C)c1ccc(cc1)C(CC(=O)c1ccncc1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccc(F)cc1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccccc1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccccn1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1cccnc1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccc(C)cc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1cccc(C)c1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1C
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccn1
CN(C)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
CN(C)c1ccccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl
CN(CC(O)=O)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
CN(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C(=O)CCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CC[C@H](NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O |r|
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
CN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
CN(c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
CN1CCN(C(=O)C2(CC2)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)C2(CC2)C(=O)Nc2cc(F)c(F)cc2F)c2ccccc12
CN1CCN(C(=O)c2cccnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)c2cnc(O)nc2Nc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)c2cnc(O)nc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(CC1)c1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(C)n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCCC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)C(F)(F)F |r|
CN1CCN(CC1)c1nc(nc(C)c1F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CNC(=O)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CNc1cc(c(cn1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1C
COC(=O)C(NCc1cnccc1-c1ccccc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COC(=O)CCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
COC(=O)CCSc1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
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
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
COC(=O)CCc1coc2cc(Cl)c(cc12)C(=O)Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
COC(=O)CCc1nc(SCc2c(F)cccc2F)n(c1N(C)c1ccc(OC)c(OC)c1)-c1ccc(F)cc1
COC(=O)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(F)c(F)cc1OC
COC(=O)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
COC(=O)CN(C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F)c1cnccc1-c1cccnc1OC
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cc(F)c(F)cc1OC
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cc(F)ccc1OC
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OC
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1Cl
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1F
COC(=O)CN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1cccnc1OC
COC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1c(F)cccc1OC |(4.67,3.36,;3.33,2.59,;2,3.36,;2,4.9,;.67,2.59,;.67,1.05,;2,.28,;3.33,1.05,;2,-1.26,;3.33,-2.03,;3.38,-3.6,;2,-4.34,;.67,-3.57,;.67,-2.03,;-.67,-4.34,;-2,-3.57,;-.67,-5.88,;-2,-5.11,;4.72,-4.37,;6.05,-5.14,;3.95,-5.7,;5.49,-3.03,;-.67,.28,;-.67,-1.26,;-2,-2.03,;-3.33,-1.26,;-3.33,.28,;-2,1.05,;-2,2.59,;-.67,3.36,;.1,2.03,;-.67,4.9,;-2,5.67,;-3.33,4.9,;-3.33,3.36,;-4.67,2.59,;-6,3.36,)|
COC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cc(F)c(F)cc1OC
COC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccc(F)cc1OC
COC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
COC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1cccnc1OC
COC(=O)COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r|
COC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccccc1Cl
COC(=O)c1ccc(C)c(c1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COC(=O)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
COCCN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
COCCN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1c(F)cccc1OC |(1,4,;-.09,2.91,;.31,1.42,;-.78,.33,;-.38,-1.15,;.95,-1.92,;.95,-3.46,;2.29,-1.15,;2.29,.39,;3.62,1.15,;4.95,.39,;4.95,-1.15,;3.62,-1.92,;6.29,-1.92,;7.62,-2.69,;7.06,-.59,;5.52,-3.26,;3.62,2.69,;2.08,2.69,;4.95,3.47,;3.62,4.23,;-1.72,-1.93,;-1.72,-3.47,;-3.05,-4.23,;-4.38,-3.47,;-4.38,-1.93,;-3.05,-1.15,;-3.56,.77,;-2.47,1.85,;-.98,1.46,;-2.87,3.34,;-4.35,3.74,;-5.44,2.65,;-5.04,1.16,;-6.13,.08,;-7.62,.47,)|
COCCN(C)c1cc(c(cn1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1C
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)c(OC)c2)c(F)c1
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1
COCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1
COCCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
COCCOc1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
COCCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
COCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CO[C@@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)OCc2ccccc2)C(C)=C)C1(C)C |r|
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r|
CO[C@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
CO\N=C(/CC(c1ccccc1)c1ccc(cc1)N(C)C)c1ccncc1
COc1c(F)c(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1c(F)cc(F)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1c(F)cccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(Cl)cc1-c1cc(C)ncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCCCC(O)=O)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(C)C(=O)c1cc(F)cc(c1)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(C)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(F)cc(c1)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)c(F)cc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(Br)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(Cl)cc(c1)S(C)(=O)=O
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(SC2COC2)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(SCCCCC(=O)NCC(O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(SCCCCC(O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)C1COC1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCCCC(=O)NCC(O)=O)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1cc(C)ncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1cc(Cl)ncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccnc(C)c1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccnc(Cl)c1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Br)cc(OC(F)(F)F)c1
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(CCC(N)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(OC(F)(F)F)c1
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(c1)C1CC1
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(c1)S(C)(=O)=O
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)nc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(F)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(OC(F)(F)F)cc(c1)S(C)(=O)=O
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(OCCO)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SC2CN(C2)C(=O)OC(C)(C)C)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SC2COC2)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCCC(O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCCCC(O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCN)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCN2CCC2)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCNC(=O)OC(C)(C)C)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCNS(C)(=O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCNS(N)(=O)=O)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(SCCO)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C1CN(C1)C(=O)OC(C)(C)C
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C1COC1
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)C1CN(C1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)C1CN(C1)S(N)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)C1CNC1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)C1COC1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCCC(O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCCCC(N)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCCCC(O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCN)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCN1CCC1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCNS(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCNS(N)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)CCO)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N1CC2(COC2)C1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N1CCC1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N1CCOCC1)S(C)(=O)=O
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(=O)(=O)N1CCS(=O)(=O)CC1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C1CC1
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(nc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC#N)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(F)cc(c1)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC1(C)COC1)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CC1CCOC1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(C[C@@H]1CCCCO1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |r|
COc1cc(F)ccc1-c1ccncc1N(C[C@@H]1CCCO1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |r|
COc1cc(F)ccc1-c1ccncc1N(C[C@@H]1CCCOC1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |r|
COc1cc(F)ccc1-c1ccncc1N(C[C@H]1CCCCO1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |r|
COc1cc(F)ccc1-c1ccncc1N(C[C@H]1CCCO1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |r|
COc1cc(F)ccc1-c1ccncc1N(Cc1cc(C)on1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(Cc1nc(C)co1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(Cc1ncc(C)o1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(Cc1nccn1C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(F)ccc1-c1ccncc1N(Cc1ncco1)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(c(F)cc1F)-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1cc(c(OC)nn1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cc(c(cn1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccccc1C
COc1cc(cc(Cl)n1)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
COc1cc(cc(c1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccccc1Cl
COc1cc(cc(n1)C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccc(F)cc1OC
COc1cc(ccc1C(O)=O)C1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
COc1cc(ccc1Cl)C1(C)CCCc2nc(SCc3c(F)cc(OCCOCCOCCN(C)C)cc3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1(C)CCCc2nc(SCc3c(F)ccc(OCCOCCOCCN(C)C)c3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1(C)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1(C)CCCc2nc(SCc3ncccn3)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1(CF)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1(CO)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Br)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(Cl)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)c(C)c1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)c(Cl)c1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)c(F)c1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)c(c1)C(F)(F)F
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1F |(17.72,-21.36,;17.72,-19.82,;19.05,-19.05,;19.07,-17.51,;20.41,-16.76,;21.74,-17.53,;21.72,-19.07,;20.39,-19.83,;20.39,-21.38,;20.41,-15.21,;19.08,-14.44,;19.1,-12.89,;20.43,-12.14,;21.76,-12.91,;23.23,-12.44,;24.13,-13.7,;25.67,-13.7,;26.44,-12.37,;27.98,-12.37,;28.75,-11.04,;27.99,-9.71,;30.3,-11.05,;31.06,-12.39,;30.28,-13.71,;28.75,-13.7,;27.98,-15.03,;23.21,-14.93,;21.76,-14.45,;23.68,-16.41,;22.65,-17.54,;23.11,-19.01,;24.62,-19.33,;25.08,-20.81,;25.65,-18.2,;25.19,-16.73,;26.22,-15.59,)|
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3OC)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3c(F)cccc3[N+]([O-])=O)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3cc(F)cc(Cl)c3)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3cc(F)ccc3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1CCCc2nc(SCc3ccc(F)cc3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)C1OCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1Cl)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1cc(ccc1F)-n1c(SCc2c(F)cccc2Cl)nc2CCCC(c12)c1ccc(Cl)c(OC)c1
COc1cc(ccc1F)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1
COc1cc(ccc1F)C1(C)CCCc2nc(SCc3c(F)cc(OCCOCCOCCN(C)C)cc3F)n(c12)-c1ccc(F)cc1
COc1cc(ccc1F)C1(C)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1F)C1(C)CCCc2nc(SCc3ncccn3)n(c12)-c1ccc(F)cc1
COc1cc(ccc1F)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc(ccc1F)C1OCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1O)-c1ccsc1
COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1OC)-c1ccsc1
COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O
COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
COc1ccc(CN(C)c2cnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC
COc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1
COc1ccc(Cc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC
COc1ccc(F)c(c1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc(F)c(c1F)-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |(-7.42,4.1,;-7.02,2.62,;-5.53,2.22,;-4.45,3.31,;-2.96,2.91,;-2.56,1.42,;-1.07,1.02,;-3.65,.33,;-5.14,.73,;-6.22,-.36,;-3.25,-1.16,;-4.58,-1.93,;-4.58,-3.47,;-3.25,-4.24,;-1.92,-3.47,;-1.92,-1.93,;-.58,-1.16,;-.58,.38,;.75,-1.93,;.75,-3.46,;2.09,-1.16,;2.09,.38,;3.42,1.21,;4.75,.38,;4.75,-1.16,;3.42,-1.93,;6.09,-1.93,;7.42,-2.7,;6.86,-.59,;5.32,-3.26,;3.42,2.75,;3.42,4.29,;1.88,2.75,;4.96,2.75,)|
COc1ccc(F)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc(F)cc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1ccc(NCc2cnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2)cc1OC
COc1ccc(Nc2nnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC
COc1ccc(OC)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
COc1ccc(OCc2cnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)-c3nn[nH]n3)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C#N)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C(=O)NC(CCCNC(N)=N)C(O)=O)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C(=O)NCCS(O)(=O)=O)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C(O)=O)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)S(=O)(=O)\N=C\N(C)C)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc(SCc3c(F)cccc3Cl)n2-c2ccc(F)cc2)cc1OC
COc1ccc(SCc2cnc([S+]([O-])Cc3c(F)cc(cc3F)C(O)=O)n2-c2ccc(F)cc2)cc1OC
COc1ccc(c(C)c1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc(cc1)-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1
COc1ccc(cc1)-n1c(SCc2c(F)cccc2Cl)nc2CCCC(c12)c1ccc(Cl)c(OC)c1
COc1ccc(cc1)-n1c(SCc2c(F)cccc2F)ncc1N(C)c1ccc(OC)c(OC)c1
COc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
COc1ccc(cc1)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cncn1[C@H](C)c1ccccc1 |r|
COc1ccc(cc1C(F)(F)F)C(=O)N(C)c1cnccc1-c1ccccc1C
COc1ccc(cc1Cl)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)-c2nnn[nH]2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)C#N)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)C2CCOC2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2cccc(Cl)c2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2cccc(c2)C#N)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-c2nccs2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2cccc2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2cccn2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2cncn2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)C#N)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2F)-n2ccnc2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2F)-n2ccnc2C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc3[nH]ccc3c2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc3[nH]ncc3c2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccccc2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
COc1ccc(cc1OC)C(C)(C)c1cnc(n1-c1ccc(F)cc1)S(=O)(=O)CCOCc1ccc(cc1)C#N
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cc(CCO)cc3F)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cc(OCCOCCOCCN(C)C)cc3F)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cc(cc3F)C(=O)NCCOCCOCCOCCO)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cc(cc3F)C(O)=O)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cccc3F)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3c(F)cncc3F)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3ncccn3)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)C1OCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1c(C)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1c(CCC(O)=O)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1c(CCCCN)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS([O-])(=O)=O)cc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCC[N+]34CCN(CC3)CC4)cc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CCN(C)C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[N+](C)(C)C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[NH+](C)C)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)c(Cl)c1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1F |(12.49,-10.11,;13.96,-9.63,;15.09,-10.67,;16.56,-10.2,;17.7,-11.23,;17.37,-12.73,;15.91,-13.21,;14.77,-12.18,;13.31,-12.65,;12.99,-14.15,;18.51,-13.76,;18.18,-15.27,;19.97,-13.3,;20.45,-11.83,;21.99,-11.84,;22.46,-13.31,;23.94,-13.8,;25.03,-12.71,;26.51,-13.15,;26.88,-14.63,;25.79,-15.72,;28.37,-15.07,;29.48,-14,;29.1,-12.5,;27.63,-12.08,;27.26,-10.58,;21.21,-14.21,;21.21,-15.75,;19.87,-16.51,;19.86,-18.05,;21.19,-18.83,;21.18,-20.37,;22.53,-18.06,;22.53,-16.52,;23.87,-15.76,)|
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(C)c1nnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(CC=C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1ccc(cc1OC)N(Cc1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)C(C)=O
COc1ccc(cc1OC)N(Cc1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)C=O
COc1ccc(cc1OC)[C@@H]1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1 |r|
COc1ccc(cc1OC)[C@H]1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1 |r|
COc1ccc(cn1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(Oc3cccnc3)nc2c1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccccc1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccnc1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccco1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccs1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccoc1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ncco1
COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1nccs1
COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1
COc1ccc2cc(CNCCc3cccc(Br)c3)c(nc2c1)-c1ccsc1
COc1ccc2cc(CNCc3ccc(C)cc3)c(nc2c1)-c1ccsc1
COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1
COc1ccc2cc(CNCc3ccccc3)c(nc2c1)-c1ccsc1
COc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1
COc1cccc(F)c1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(-.11,1.34,;1.22,.57,;2.55,1.34,;2.55,2.88,;3.89,3.65,;5.22,2.88,;5.22,1.34,;6.55,.57,;3.89,.57,;3.89,-.97,;5.22,-1.74,;5.22,-3.28,;3.89,-4.05,;2.55,-3.28,;2.55,-1.74,;1.22,-.97,;.31,.28,;-.11,-1.74,;-.11,-3.28,;-1.45,-.97,;-2.78,-1.74,;-4.12,-.97,;-4.12,.57,;-2.78,1.34,;-1.45,.57,;-2.78,2.88,;-2.78,4.42,;-1.24,2.88,;-4.32,2.88,;-5.45,-1.74,;-6.78,-2.51,;-6.22,-.4,;-4.68,-3.07,)|
COc1cccc(F)c1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |(-7.57,.04,;-6.08,-.36,;-4.99,.73,;-5.39,2.22,;-4.3,3.31,;-2.81,2.91,;-2.41,1.42,;-.93,1.82,;-3.5,.33,;-3.1,-1.15,;-4.44,-1.93,;-4.44,-3.47,;-3.1,-4.23,;-1.77,-3.47,;-1.77,-1.93,;-.44,-1.15,;-.44,.38,;.9,-1.93,;.9,-3.46,;2.23,-1.15,;2.23,.38,;3.56,1.21,;4.9,.38,;4.9,-1.15,;3.56,-1.93,;6.23,-1.93,;7.57,-2.69,;7,-.59,;5.46,-3.26,;3.56,2.75,;3.56,4.29,;2.02,2.75,;5.1,2.75,)|
COc1cccc(F)c1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F |(-7.57,.04,;-6.08,-.36,;-4.99,.73,;-5.39,2.22,;-4.3,3.31,;-2.81,2.91,;-2.41,1.42,;-.93,1.02,;-3.5,.33,;-3.1,-1.15,;-4.44,-1.93,;-4.44,-3.47,;-3.1,-4.23,;-1.77,-3.47,;-1.77,-1.93,;-.44,-1.15,;-.44,.39,;.9,1.16,;1.67,-.18,;.13,2.49,;2.23,1.93,;.9,-1.92,;.9,-3.46,;2.23,-1.15,;2.23,.39,;3.57,1.21,;4.9,.39,;4.9,-1.15,;3.56,-1.92,;6.23,-1.92,;7.57,-2.69,;7,-.59,;5.46,-3.26,;3.57,2.75,;3.57,4.29,;2.03,2.75,;5.11,2.75,)|
COc1cccc(F)c1-c1ccncc1N(CC(N)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F |(-6,3.36,;-4.67,2.59,;-3.33,3.36,;-3.33,4.9,;-2,5.67,;-.67,4.9,;-.67,3.36,;.1,2.03,;-2,2.59,;-2,1.05,;-3.33,.28,;-3.33,-1.26,;-2,-2.03,;-.67,-1.26,;-.67,.28,;.67,1.05,;.67,2.59,;2,3.36,;3.33,2.59,;2,4.9,;2,.28,;3.33,1.05,;2,-1.26,;3.33,-2.03,;3.38,-3.6,;2,-4.34,;.67,-3.57,;.67,-2.03,;-.67,-4.34,;-2,-3.57,;-.67,-5.88,;-2,-5.11,;4.72,-4.37,;6.05,-5.14,;3.95,-5.7,;5.49,-3.03,)|
COc1cccc(Oc2c(C(=O)N3CCCCC3c3cccnc3)c(C)nn2C)c1
COc1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
COc1cccc(c1)-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1
COc1cccc(c1)-n1nnc(C2CC2)c1C(=O)N(C)c1ccc(cc1)C#N
COc1cccc(c1)C1CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
COc1cccc(c1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
COc1cccc(c1)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
COc1cccc(c1F)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cccc(c1OC)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1cccc(n1)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ccccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1ccccc1-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1
COc1ccccc1N(C)C(=O)c1c(C)onc1-c1ccccc1Cl
COc1ccccc1N(C)C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl
COc1cnccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1nc(C)ccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ncc(Cl)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ncc(F)cc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1nccc(c1Cl)-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(F)cc(c1)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)S(=O)(=O)N(C)C)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F
COc1ncccc1-c1ccncc1N(CC(N)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
COc1ncccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
CS(=O)(=O)CCN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CS(=O)(=O)CCN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
CS(=O)(=O)CCN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1Cl
CS(=O)(=O)CCN(C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)c1cnccc1-c1ccccc1OC(F)(F)F
CS(=O)(=O)CCN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC#N)c1cnccc1-c1ccccc1Cl
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC#N)c1cnccc1-c1ccccc1OC(F)(F)F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(F)(F)F)c1cnccc1-c1ccccc1Cl
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(F)(F)F)c1cnccc1-c1ccccc1OC(F)(F)F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(F)F)c1cnccc1-c1ccccc1F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(N)=O)c1cnccc1-c1ccccc1Cl
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(N)=O)c1cnccc1-c1ccccc1F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC(N)=O)c1cnccc1-c1ccccc1OC(F)(F)F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(CCO)c1cnccc1-c1ccccc1F
CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N(Cc1ncco1)c1cnccc1-c1ccccc1Cl
CSCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
CSc1ncc(C(=O)N2CCN(C)c3ccccc23)c(Oc2cc(Cl)ccc2Cl)n1
CSc1ncc(C(=O)N2CCNc3ccccc23)c(Oc2cc(Cl)ccc2Cl)n1
C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O |r|
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O |r|
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:10|
C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:11|
C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |w:12.12|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](F)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC([O-])=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCC([O-])=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
C[C@H](CCCS(O)(=O)=O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C |r|
C[C@H](CCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
C[C@H](CCNC(=O)OC\C=C\c1ccccc1)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@@H]1C[C@@H]1C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H]([C@@H]1C[C@H]1C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H]([C@H]1C[C@@H]1C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H]([C@H]1C[C@H]1C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1 |r|
C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(C2CC2)c2ccccc12 |r|
C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(CC1)c1ccccc1F |r|
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C |r|
C[C@]1(CCCN1Cc1cc(Cl)ccc1Cl)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
C[C@]1(CO1)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CCC2=O |t:7|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |r|
Cc1c(Br)oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Cc1c(CCC(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12
Cc1c(\C=C\C(=O)NCC(O)=O)oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12
Cc1c(\C=C\C(O)=O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)c12
Cc1c(oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12)C(O)=O
Cc1cc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1C
Cc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
Cc1cc(c(cn1)N(CC(F)(F)F)C(=O)c1cc(cc(c1)S(C)(=O)=O)C(F)(F)F)-c1ccccc1Cl
Cc1cc(cc(c1)S(C)(=O)=O)C(=O)N(CC(F)(F)F)c1cnccc1-c1ccccc1F
Cc1cc(ccn1)C(CC(c1ccc(Br)cc1)c1ccccc1C)N=O
Cc1cc(ccn1)C(CC(c1ccc(CC(O)=O)cc1)c1ccccc1C)N=O
Cc1cc(ccn1)C(CC(c1ccc(cc1)-c1cccc(c1)C(O)=O)c1ccccc1C)N=O
Cc1cc(ccn1)C(CC(c1ccc(cc1)C(O)=O)c1ccccc1C)N=O
Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r|
Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r|
Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r|
Cc1cc(ccn1)C(C[C@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r|
Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Cc1ccc(CCNC(=O)[C@@H]2CCCN(C2)c2ncccn2)cc1 |r|
Cc1ccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1
Cc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
Cc1cccc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
Cc1ccccc1-c1ccncc1N(C1COC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1-c1ccncc1N(CC#N)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1-c1ccncc1N(CC(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1-c1ccncc1N(CCC#N)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1-c1ccncc1N(CCS(C)(=O)=O)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1
Cc1ccccc1C(CC(N=O)c1ccncc1)c1ccc(Br)cc1
Cc1ccccc1NC(=O)c1cncnc1Oc1cc(Cl)ccc1Cl
Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|
Cc1ccccc1[C@@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r|
Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|
Cc1ccccc1[C@H](CC(N=O)c1ccc(=O)n(C)c1)c1ccc(cc1)S(C)(=O)=O |r|
Cc1ccnc(c1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Br)cc1 |r|
Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(F)cc1 |r|
Cc1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccccc1 |r|
Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Cc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Cc1nc(ncc1F)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
Cc1nc(ncc1F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
Cc1nccc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccc(C)cc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccc(cc2)C(N)=O)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CC1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CCOC1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccc1C
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccn1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccncc1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1nccn1C
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1 |r|
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1 |r|
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCn2cncc2C1
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1Cc2cccnc2C1
Cc1nn(C)c(Oc2cccc(Cl)c2F)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccccc2C#N)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccccc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2ccccc2F)c1C(=O)N1CCCCC1c1cccnc1
Cc1nn(C)c(Oc2cccnc2)c1C(=O)N1CCCCC1c1cccnc1
Cc1noc2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)ccc12
Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Cc1oc(=O)oc1COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Cc1onc(c1C(=O)N(C1CC1)c1ccc(Cl)cc1)-c1ccccc1Cl
Cc1onc(c1C(=O)N1CCc2cc(Cl)ccc12)-c1ccccc1Cl
Cc1onc(c1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1Cl
ClCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Clc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
Clc1cc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)cc1CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
Clc1ccc(CCNC(=O)C2CCCN(C2)c2ncccn2)cc1
Clc1ccc(CCNC(=O)[C@@H]2CCCN(C2)c2ccccn2)cc1 |r|
Clc1ccc(CCNC(=O)[C@@H]2CCCN(C2)c2ccncn2)cc1 |r|
Clc1ccc(CCNC(=O)[C@@H]2CCCN(C2)c2ncccn2)cc1 |r|
Clc1ccc(CCNC(=O)[C@H]2CCCN(C2)c2ncccn2)cc1 |r|
Clc1ccc(Cl)c(CN2CCCC[C@@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCCC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCC[C@@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCCc3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCSc3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCOC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CCSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
Clc1ccc(Cl)c(Cn2cncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Clc1ccc(Cl)c(NC(=O)C2(CC2)C(=O)N2CCNc3ccccc23)c1
Clc1ccc(Cl)c(Nc2ncncc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2cccnc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CCC3)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCN(CC=C)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ccncc2C(=O)N2CCOc3ccccc23)c1
Clc1ccc(Cl)c(Oc2cncnc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncccc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2nccnc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCCc3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(C3CCC3)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCN(CC=C)c3ccccc23)c1
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCSc3ccccc23)c1
Clc1ccc(Cn2cncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(Cl)c1
Clc1ccc(I)cc1CN1CSC[C@H]1C(=O)N1CCN(C2CC2)c2ccccc12 |r|
Clc1ccc(cc1CN1CSC[C@H]1C(=O)N1CCN(C2CC2)c2ccccc12)C1CC1 |r|
Clc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
Clc1cccc(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Clc1ccccc1Cn1cncc1C(=O)N1CCN(C2CC2)c2ccccc12
Clc1ccccc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
Cn1c(SCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)ncc1C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
Cn1c(SCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)ncc1C(O)=O |r|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(22.96,-25.34,;22.48,-23.88,;23.39,-22.63,;22.48,-21.39,;22.95,-19.92,;21.93,-18.78,;24.46,-19.6,;21.01,-21.86,;19.67,-21.09,;18.34,-21.86,;18.34,-23.4,;19.67,-24.17,;21.02,-23.4,;17.01,-24.16,;17.01,-25.7,;15.68,-26.47,;14.34,-25.69,;14.33,-27.23,;13.01,-26.47,;11.67,-25.7,;10.34,-26.48,;9.01,-25.71,;8.53,-24.25,;6.99,-24.26,;6.52,-25.72,;7.77,-26.62,;7.79,-28.16,;9.12,-28.93,;10.45,-28.15,;9.12,-30.48,;7.79,-31.25,;6.45,-30.48,;6.46,-28.94,;5.12,-28.16,;9.44,-23,;10.84,-22.36,;9.59,-21.47,;14.33,-24.16,;15.68,-23.39,)|
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
Cn1nc(cc1OCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
FC(F)(F)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
FC(F)(F)COC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
FC(F)(F)Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccc(Cl)cc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccco2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2cccs2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccncc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccoc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CN(Cc2cnccc2-c2ccccc2)C(=O)c2ccsc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(CNCc2cnccc2-c2ccccc2)cc(c1)C(F)(F)F
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(C1CC1)c1cnccc1-c1ccccc1Cl
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(CC1CC1)c1cnccc1-c1ccccc1Cl
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N(CCNC(=O)OCc1ccccc1)c1cnccc1-c1ccccc1Cl
FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(NCc1cnccc1-c1ccccc1)C#N
FC(F)(F)c1ccc(Cl)cc1CN1CSC[C@H]1C(=O)N1CCN(C2CC2)c2ccccc12 |r|
FC(F)(F)c1ccnc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCN(CC1)C1COC1 |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCNCC1 |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1 |r|
FC(F)(F)c1nccc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
FC(F)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
FC(F)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
FC1(F)C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
FCCN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
F[C@@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
F[C@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
Fc1ccc(Cn2cncc2C(=O)N2CCN(C3CC3)c3ccccc23)c(F)c1
Fc1ccc(Cn2cncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1
Fc1ccc(cc1)-n1c(SCc2c(F)cccc2Cl)nc2CCCC(c12)c1ccc2OCCOc2c1
Fc1ccc(cc1)-n1c(SCc2c(F)cccc2Cl)nc2CCCC(c12)c1ccc2OCOc2c1
Fc1cccc(F)c1-c1ccncc1CNC(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(11.4,-33.89,;12.73,-34.66,;14.06,-33.89,;15.39,-34.66,;15.39,-36.2,;14.06,-36.97,;14.06,-38.5,;12.73,-36.2,;11.4,-36.97,;11.4,-38.5,;10.07,-39.27,;8.73,-38.5,;8.73,-36.97,;10.07,-36.2,;10.07,-34.66,;8.73,-33.89,;8.73,-32.35,;10.07,-31.58,;11.4,-30.81,;7.4,-31.58,;7.4,-30.04,;6.07,-29.27,;4.74,-30.04,;4.74,-31.58,;6.07,-32.35,;3.4,-32.35,;2.08,-31.58,;3.4,-33.89,;2.08,-33.12,;6.07,-27.73,;4.74,-26.96,;7.4,-26.96,;6.07,-26.19,)|
Fc1cccc(F)c1-c1ccncc1CNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(41.44,-34.46,;42.77,-35.23,;44.1,-34.46,;45.43,-35.23,;45.43,-36.77,;44.1,-37.54,;44.11,-39.08,;42.77,-36.77,;41.44,-37.54,;41.44,-39.08,;40.1,-39.85,;38.77,-39.08,;38.77,-37.54,;40.1,-36.77,;40.1,-35.23,;38.77,-34.46,;38.77,-32.92,;40.31,-32.92,;39.54,-31.58,;37.43,-32.15,;37.43,-30.6,;36.1,-29.83,;34.77,-30.6,;34.77,-32.15,;36.1,-32.92,;33.43,-32.92,;32.1,-32.15,;33.43,-34.46,;32.1,-33.69,;36.1,-28.29,;34.77,-27.52,;37.43,-27.52,;36.1,-26.75,)|
Fc1ccccc1-c1ccnc(Cl)c1CNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccnc2OCC(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc12
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccccc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccco1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccsc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccco1
Fc1ccccc1-c1ccncc1CN(Cc1ccccc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CN(Cc1ccco1)C(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CNC(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1CNS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Fc1ccccc1-c1ccncc1N(CC(F)(F)F)C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F
Fc1cnc(nc1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1 |r|
N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1
N.N.COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(OCCCN(CCS(O)(=O)=O)CCS(O)(=O)=O)cc2F)n1-c1ccc(F)cc1
NC(=O)CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
NC(=O)CN(C(=O)c1cc(nc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1F
NC(=O)c1nc(nc2CCN(Cc12)C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CC1
NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2[nH]ccc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2cc[nH]c2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccccc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2cccnc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ccoc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ncccc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2ncsc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2occc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2sccc2c1
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2[nH]ccc12
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ccccc12
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2cccnc12
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ncccc12
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccccc1
O=C(N1CCN(C2CC2)c2ccccc12)c1cncn1Cc1ccccc1
OC(=O)C1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
OC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC(=O)CCNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
OC(=O)CC[C@H](NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O |r|
OC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
OC(=O)CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
OC(=O)CN(CCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)CC(O)=O |r|
OC(=O)CNC(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
OC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CCC(NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O)C(=O)NCC(O)=O)NC(=O)CCC(NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O |r|
OC(=O)C\C=C\c1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
OC(=O)Cc1ccc(OC2CCN(CC2)c2cc(nc(n2)C(F)(F)F)N2CCC[C@H](C2)C(=O)NCCc2ccc(cc2)C#N)cc1 |r|
OC(=O)Cc1ccc(OC2CCN(CC2)c2cc(nc(n2)C(F)(F)F)N2CC[C@H]2C(=O)NCCc2ccc(cc2)C#N)cc1 |r|
OC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
OC(=O)[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r,wU:6.9,28.32,wD:3.2,(43.64,-56.93,;44.97,-56.16,;46.31,-56.93,;44.97,-54.62,;46.31,-53.85,;46.3,-52.3,;44.97,-51.54,;43.65,-52.32,;43.64,-53.85,;44.96,-50,;43.62,-49.23,;43.62,-47.69,;44.96,-46.92,;46.29,-47.69,;46.29,-49.23,;44.96,-45.38,;46.29,-44.61,;46.29,-43.07,;44.96,-42.3,;43.63,-43.07,;43.62,-44.61,;42.29,-42.3,;40.95,-43.07,;42.29,-40.76,;40.95,-41.53,;47.63,-42.3,;48.02,-40.81,;49.51,-41.22,;49.11,-42.7,;49.87,-44.04,;49.1,-45.37,;51.41,-44.04,;52.19,-42.71,;53.73,-42.72,;54.5,-41.38,;56.04,-41.4,;56.81,-40.07,;56.04,-38.73,;54.49,-38.73,;53.73,-40.06,;56.81,-37.4,;57.58,-36.07,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |THB:21:19:15.16:13|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:9:13:19.43.18:15.16|
OC(=O)c1cc(O)cc(OCc2ccc3ccccc3n2)c1
OC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
OC(=O)c1ccc(OC2CCN(CC2)c2cc(nc(n2)C(F)(F)F)N2CC[C@H]2C(=O)NCCc2ccc(cc2)C#N)cc1 |r|
OC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1
OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-3.46,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
OC(=O)c1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
OC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
OC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
OC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
OCC(CO)(CO)NC(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OCC(CO)(CO)NC(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OCCN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnccc1-c1ccccc1Cl
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCN(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCCOc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CN(CC(O)=O)C(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)CCc1cc(Cl)c(CN2CCC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)CCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)CCc1cc(Cl)c(CN2C[C@@H](F)C[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)CCc1ccc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)NCCCCOc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)nc1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)o1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cn1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)nc1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1cccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)c1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccn(Cc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)n1 |r|
OCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OCc1cc(O)cc(OCc2ccc3ccccc3n2)c1
OCc1cccc(OCc2ccc3ccccc3n2)c1
OP(O)(=O)CN1CCN(CC1)C(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
OP(O)(=O)CNC(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
O[C@@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
O[C@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12 |r|
Oc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
Oc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1O)-c1ccsc1
Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1
Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
[Cl-].COc1ccc(SCc2cnc(SCc3c(F)cc(cc3F)C(=O)NCC[N+](C)(C)C)n2-c2ccc(F)cc2)cc1OC
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C(C)C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCCC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(c4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(Cc4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)OC)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC=O)OC=O)[C@H](C)CCC(N)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)NCCOCCOC |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCc1nnc(C)o1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC#N |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCc1nn[nH]n1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCC |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NS(C)(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(N)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCc1nc(C)no1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCc1nnc(C)o1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N1CCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O |r|
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