402 SMILES Strings for Mitogen-activated protein kinase kinase kinase 11

Compound Name
SMILES String
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
O=C1NCc2c-3c(Cc4ccccc-34)c3[nH]c4ccccc4c3c12
O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21
O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21
O=C1NCc2c1c1c3ccccc3oc1c1[nH]c3ccccc3c21
O=C1NCc2c1c-1c(Cc3ccccc-13)c1Cc3ccccc3-c21
O=C1NCc2c1c1c3ccccc3sc1c1sc3ccccc3c21
O=C1NCc2c1c-1c(Cc3ccccc-13)c1sc3ccccc3c21
O=C1NCc2c-3c(Cc4ccccc-34)c3sc4ccccc4c3c12
O=C1NC(=O)c2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
O=C1NC(=O)c2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c3[nH]c3ccccc23)c1
OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4CCc3c12
COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccc(O)cc4CCc3c12
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC5CC5)ccc-34)c12
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCCC5)ccc-34)c12
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCc5ccccn5)ccc-34)c12
COCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCOCc5ccccc5)ccc-34)c12
OCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC#N)ccc-34)c12
OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCCC#N)ccc-34)c12
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
C1CN(CCN1)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
c1cc2cc(ccc2[nH]1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
CN(C)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
c1cc2cc(ccc2[nH]1)-c1c[nH]c2ncc(cc12)-c1ccccc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)cc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(NC(C)=O)cc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(nc3)N(C)C)c2c1
Nc1ncc(cn1)-c1c[nH]c2ncc(cc12)-c1cnc(N)nc1
CN(C)c1ccc(cn1)-c1c[nH]c2ncc(cc12)-c1ccc(nc1)N(C)C
CN(C)c1ccc(cn1)-c1cnc2[nH]cc(-c3ccc(F)c(Cl)c3)c2c1
Nc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4n(C)ccc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc(F)c(Cl)c3)c2c1
Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3[nH]ccc3c2)c2cc(cnc12)-c1ccc(F)nc1
C(CN1CCCC1)Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccc3[nH]ccc3c2)c2cc(cnc12)-c1ccc(C=O)cc1
CN(C)Cc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(ccc1OCCN1CCNCC1)-c1cnc2n(cc(-c3ccc4[nH]ccc4c3)c2c1)S(=O)(=O)c1ccc(C)cc1
COc1cc(ccc1OCCN(C)C)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(ccc1N)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4n(C)ccc4c3)c2n1
Cn1ccc2cc(ccc12)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4n(C)ccc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccncc1
Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Clc1cc(Cl)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1ccc(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1ccc(cc1N)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Cc1cc(cc(C)c1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc(cc1)N1CCOCC1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2[nH]ccc2c1
Oc1cccc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(ccc1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2cc[nH]c2c1
COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Oc1cc(F)c(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Oc1c(F)cc(cc1F)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(ccc1N)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Fc1cc(F)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1O)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ccc2c1)-c1ccc2OCCOc2c1
COc1c(C)cc(cc1C)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(OC)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
CN1CCN(CC1)c1cc(ccn1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(ccc1OCCN1CCNCC1)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1cc(OC)c(OC)c(OC)c1
COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(OC)c(OC)c1
COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
COc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccncc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]c(C)cc4c3)c2n1
Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1cc(Cl)cc(Cl)c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
O=c1[nH]c2ncc(nc2n1C1CCCC1)-c1ccncc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Clc1cc(Cl)cc(c1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
O=c1[nH]c2ncc(nc2n1CC1CC1)-c1ccncc1
Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Cc1cc2cc(ccc2[nH]1)-n1c2nc(cnc2[nH]c1=O)-c1ccncc1
O=c1[nH]c2ncc(nc2n1CC1CC1)-c1ccc(cc1)N1CCOCC1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ncc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ncc2c1)-c1ccncc1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]ncc2c1)-c1ccc(cc1)N1CCOCC1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2cn[nH]c2c1)-c1ccncc1
COc1cc(OC)c(c(OC)c1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4cn[nH]c4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2scnc2c1)-c1ccncc1
Cc1cc(C)cc(c1)-c1cnc2[nH]c(=O)n(-c3ccc4scnc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2scnc2c1)-c1ccc(cc1)N1CCOCC1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3CCc4ccccc34)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]cnc4c3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]cnc4c3)c2n1
O=c1[nH]c2ncc(nc2n1-c1ccc2[nH]cnc2c1)-c1ccc(cc1)N1CCOCC1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccccc3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccccc3)c2n1
COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc(nc3)N3CCOCC3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(C3Cc4ccccc4C3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3cnc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3cnc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4cc[nH]c4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc(O)cc3)c2n1
COc1ccc(cc1OC)-c1cnc2[nH]c(=O)n(-c3ccc(O)cc3)c2n1
Oc1ccc(cc1)-n1c2nc(cnc2[nH]c1=O)-c1ccc(cc1)N1CCOCC1
Nc1ccc(cn1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
COc1cc(cnc1N)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
COc1cc(cc(OC)c1OC)-c1nc2n(CC3CC3)c(=O)[nH]c2nc1Cl
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(C)(C)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C3(CCCC3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(CC3CC3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(CC3CC3)(CC3CC3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4NCCc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(CC3CC3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2ncn(-c3ccc4[nH]ccc4c3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=S)n(CC3CC3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3cccnc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C\c3ccncc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccccc3)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C(N)=O)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3cccc(c3)C(N)=O)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccc(cc3)C#N)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3cccc(c3)C#N)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3cccnc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(=Cc3ccncc3)c2c1 |w:20.21|
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccccc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccc(cc3)C(N)=O)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccccc3)(Cc3ccccc3)c2c1
CC(=O)N1CCN(Cc2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1=O
O=C1CN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CCN1
CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1=O
CC(C)(C)OC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CN1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(=O)N1CC[NH2+]CC1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N1CC[NH2+]CC1
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
COc1cc(cc(OC)c1OC)-c1c[n+]([O-])c2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
CN1CCN(Cc2cccc(c2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
CC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(N)=O)c3c2)CC1=O
CC(=O)NCc1ccc(cc1)-c1cn(c2ncc(Br)cc12)S(=O)(=O)c1ccc(C)cc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(CNC(=O)CCc4ccccc4)cc3)c2c1
CN1CCN(Cc2ccc(cc2)-c2c[nH]c3ncc(cc23)-c2ccc(cc2)C(N)=O)CC1
CN1CCN(Cc2ccc(cc2)-c2c[nH]c3ncc(cc23)-c2ccc3[nH]ccc3c2)CC1
CNC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cc(OC)c(OC)c(OC)c1
CNC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(CN2CCN(C)CC2)cc1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(cc3)-c3ncc[nH]3)c2c1
O=Cc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(ccc1OCCN1CCNCC1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Cc1ccc(cc1)S(=O)(=O)n1cc(I)c2nc(Br)cnc12
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ncc4c3)c2n1
COc1cc(ccc1N)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(C)(C)c2n1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)\C(=C/c3ccncc3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2NC(=O)C(Cc3ccncc3)c2c1
CC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
C(N1CCNCC1)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(CNC(C)=O)cc3)c2c1
CNC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(N)=O
COc1cc(cc(OC)c1OC)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1
C(N1CCOCC1)c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc(cc4)C(F)(F)F)c3c2)CC1
COc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(CN2CCN(C)CC2)cc1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]c(C)cc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ncc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5NC(=O)Cc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)CC1
FC1(F)CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5scnc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]cc(C)c5c4)c3c2)CC1
CC(C)(C)C(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CC(C)(C)CC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CCOC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
COC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CC(C)OC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CC(C)C(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CCC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
COCC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CCS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
OCCC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
COCCC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
O=C(CC1CC1)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CC(C)CC(=O)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
O=C(C1CCC(=O)N1)N1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
FC(F)(F)CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CC1CN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CCN1C(C)=O
CC1CN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CCN1C
C(c1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1)n1ccnc1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5nccc(O)c5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5c(O)ccnc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5ncccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13
CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13
CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1
COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13
Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1
c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5
c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
CC(C)OCc1ccc2n(CCO)c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3cc(Br)c[nH]3)c12
COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3oc(nc3I)-c3ccc[nH]3)c12
COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc(Br)[nH]3)c12
c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F
CC(C)(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C |r|
CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N
CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N
NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]n1
Fc1ccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)cc1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)-c2nc3c(cccc3[nH]2)C(N)=O)n1
OCCN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cccc(Cl)c4)c3c2)CC1
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1ccnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Cl)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)N1CCOCC1 |r|
Cc1cc(c(C)n1-c1cccc(c1)C(=O)N1CCOCC1)-c1nc2c(Nc3cccc(c3)S(N)(=O)=O)c(Br)cnc2[nH]1
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(NC(=O)CN(C)C)cc1C |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.48,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.48,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.8,1,;-5.13,.23,;-6.46,1,;-6.46,2.54,;-7.8,.23,;-9.13,1,;-10.47,.23,;-9.13,2.54,;-2.46,.23,;-1.13,.99,;.2,.22,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1C)C(=O)N1CCN(C)CC1 |r,wD:8.10,(4.04,-5.61,;4.81,-4.28,;4.04,-2.95,;2.71,-2.17,;2.71,-3.71,;4.81,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.46,2.54,;9.14,4.84,;7.81,5.61,;6.48,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.48,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.8,1,;-2.46,.23,;-1.13,.99,;.2,.22,;-5.13,.23,;-5.13,-1.31,;-6.46,1,;-7.8,.23,;-9.13,1,;-9.13,2.54,;-10.46,3.31,;-7.8,3.31,;-6.46,2.54,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cc(ccc1C)C(=O)N1CCN(C)CC1 |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.49,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.49,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-2.47,3.31,;-3.8,2.53,;-3.79,1,;-2.46,.23,;-1.13,.99,;.2,.22,;-5.13,3.3,;-5.13,4.84,;-6.47,2.53,;-6.47,.99,;-7.8,.22,;-9.13,.99,;-10.47,.22,;-9.13,2.53,;-7.8,3.3,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cc(NC(=O)CN2CCN(C)CC2)ccc1C |r,wD:8.10,(5.38,-5.61,;6.15,-4.28,;5.38,-2.95,;4.04,-2.17,;4.04,-3.71,;6.15,-1.61,;5.38,-.28,;6.41,.87,;7.82,.24,;7.66,-1.29,;9.15,1.01,;9.15,2.54,;10.47,3.31,;11.8,2.54,;10.47,4.84,;9.15,5.61,;7.82,4.84,;6.35,5.32,;5.45,4.07,;6.35,2.83,;7.82,3.3,;3.91,4.07,;3,5.32,;1.54,4.84,;.2,5.61,;1.54,3.3,;3,2.83,;3.4,1.34,;.2,2.53,;-1.13,3.31,;-2.46,2.53,;-3.8,3.3,;-5.13,2.53,;-5.13,.99,;-6.46,3.3,;-7.8,2.53,;-7.8,.99,;-9.13,.22,;-10.47,.99,;-11.8,.22,;-10.47,2.53,;-9.13,3.3,;-2.46,1,;-1.13,.23,;.2,.99,;1.54,.22,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(NC(=O)CN(C)C)c1C |r,wD:8.10,(4.05,-5.61,;4.82,-4.28,;4.05,-2.95,;2.71,-2.17,;2.71,-3.71,;4.82,-1.61,;4.05,-.28,;5.08,.87,;6.48,.24,;6.32,-1.29,;7.82,1.01,;7.82,2.54,;9.14,3.31,;10.47,2.54,;9.14,4.84,;7.81,5.61,;6.49,4.84,;5.02,5.32,;4.11,4.07,;5.02,2.83,;6.49,3.3,;2.57,4.07,;1.67,5.32,;.2,4.84,;-1.13,5.61,;.2,3.3,;1.67,2.83,;2.07,1.34,;-1.13,2.53,;-1.13,.99,;-2.46,.23,;-3.79,1,;-3.8,2.53,;-5.13,3.3,;-6.47,2.53,;-6.47,.99,;-7.8,3.3,;-9.13,2.53,;-9.13,.99,;-10.47,3.3,;-2.47,3.31,;-2.47,4.85,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(NC(=O)CN2CCOCC2)c1C |r,wD:8.10,(4.71,-5.61,;5.48,-4.28,;4.71,-2.95,;3.38,-2.17,;3.38,-3.71,;5.48,-1.61,;4.71,-.28,;5.74,.87,;7.15,.24,;6.99,-1.29,;8.48,1.01,;8.48,2.54,;9.8,3.31,;11.13,2.54,;9.8,4.84,;8.48,5.61,;7.15,4.84,;5.69,5.32,;4.78,4.07,;5.69,2.83,;7.15,3.3,;3.24,4.07,;2.34,5.32,;.87,4.84,;-.46,5.61,;.87,3.3,;2.34,2.83,;2.73,1.34,;-.46,2.53,;-.46,.99,;-1.79,.23,;-3.13,1,;-3.13,2.53,;-4.46,3.3,;-5.8,2.53,;-5.8,.99,;-7.13,3.3,;-8.47,2.53,;-8.47,.99,;-9.8,.22,;-11.13,.99,;-11.13,2.53,;-9.8,3.3,;-1.8,3.31,;-1.8,4.85,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(c1)C(=O)NCCN(C)C |r|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1cccc(C(=O)NCCN(C)C)c1C |r,wD:8.10,(4.71,-5.61,;5.48,-4.28,;4.71,-2.95,;3.38,-2.17,;3.38,-3.71,;5.48,-1.61,;4.71,-.28,;5.74,.87,;7.15,.24,;6.99,-1.29,;8.48,1.01,;8.48,2.54,;9.8,3.31,;11.13,2.54,;9.8,4.84,;8.48,5.61,;7.15,4.84,;5.69,5.32,;4.78,4.07,;5.69,2.83,;7.15,3.3,;3.24,4.07,;2.34,5.32,;.87,4.84,;-.46,5.61,;.87,3.3,;2.34,2.83,;2.73,1.34,;-.46,2.53,;-.46,.99,;-1.79,.23,;-3.13,1,;-3.13,2.53,;-4.46,3.3,;-4.46,4.84,;-5.8,2.53,;-7.13,3.3,;-8.47,2.53,;-9.8,3.3,;-11.13,2.53,;-9.8,4.84,;-1.8,3.31,;-1.8,4.85,)|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)NCCN(C)C |r|
CCS(=O)(=O)N1CC[C@@H](C1)Nc1c(Br)cnc2[nH]c(nc12)-c1cc(C)n(c1C)-c1ccc(cc1)C(=O)N(C)CCN(C)C |r|
O=C1Nc2ccc3ncsc3c2\C1=C\c1c[nH]cn1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC