Compound Name

SMILES String

N#C\C=C\c1ccc(cc1)-c1ccncc1

CC(=O)\C=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO

COC(=O)\C=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO

Cc1ccc(cc1)-c1c(\C=C\C#N)n(CCCO)c2ncnc(N)c12

COC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)OC(C)(C)C)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(N)=O)n(CCCO)c2ncnc(N)c12

CC(C)NC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NCc2ccccc2)n(CCCO)c2ncnc(N)c12

NC(=O)C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N

NC(=O)C(=C\c1ccc(cc1)-c1c[nH]c2ncccc12)\C#N

NC(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N

NC(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N

O=C(N1CCCC1)C(=C\c1ccc2[nH]ncc2c1)\C#N

NC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N

CNC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N

CC(C)NC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N

NC(=O)C(=C\C1CCN(CC1)c1ncnc2[nH]cnc12)\C#N

CS(=O)(=O)C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N

O=S(=O)(C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N)c1ccccc1

NC(=O)C(=C\c1ccc(cc1)-c1ccncc1)\C#N

NC(=O)C(=C\c1cccc(c1)-c1ncnc2[nH]cnc12)\C#N

NC(=O)C(=C\c1ccc(cc1)-c1cn[nH]c1)\C#N

O=C(N1CCCC1)C(=C\c1ccc2cn[nH]c2c1)\C#N

CS(=O)(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N

CCOP(=O)(OCC)C(=C\c1ccc(cc1)-c1ccncc1)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)c2ccccn2)n(CCCO)c2ncnc(N)c12

NC(=O)C(=C\c1nc2c(N)ncnc2n1CCCO)\C#N

CNC(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N

CC(C)NC(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N

CN(C)C(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N

CNC(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N

CN(C)C(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N

COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(N)=O)cc12

CNC(=O)C(=C\c1ccc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c2c1)\C#N

COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)N(C)C)cc12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)CO)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC2CC2)n(CCCO)c2ncnc(N)c12

CCN(CC)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCCC2)n(CCCO)c2ncnc(N)c12

CN1CCN(CC1)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCC2)n(CCCO)c2ncnc(N)c12

CN(C)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CC(O)C2)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCOCC2)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)c2ccncc2)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)C)n(CCCO)c2ncnc(N)c12

CN(C)CCN(C)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(CO)CO)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)n2cncn2)n(CCCO)c2ncnc(N)c12

CC(C)NS(=O)(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(C(=O)C(F)F)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC23CC4CC(CC(C4)C2)C3)n(CCCO)c2ncnc(N)c12 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:15:16:19:22.23.21,24:22:19:25.16.17,24:16:19:22.23.21|

Cc1ccc(cc1)-c1c(\C=C(/C#N)c2cc[n+]([O-])cc2)n(CCCO)c2ncnc(N)c12

CN(CCO)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)C(=O)OCC=C)n(CCCO)c2ncnc(N)c12

CN(C)NC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)c2cccnc2)n(CCCO)c2ncnc(N)c12

CONC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1csc(n1)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N

Cc1ccc(cc1)-c1c(\C=C(/C#N)n2cccn2)n(CCCO)c2ncnc(N)c12

Cc1ccc(cc1)-c1c(\C=C(/C#N)n2ccnn2)n(CCCO)c2ncnc(N)c12

COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)NC(C)(C)CO)cc12

NC(=O)C(=C\c1ccc2[nH]nc(-c3cccnc3)c2c1)\C#N