| fid,smiles | |
| V0001,C#CCCC1(CCC(=O)N2CCC(CN3CCN(C)CC3)CC2)N=N1 | |
| V0002,C#CCCC1(CCC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)N=N1 | |
| V0003,C#CCCC1(CCC(=O)N(C)Cc2ccc(CN3CCN(C)CC3)cc2)N=N1 | |
| V0004,C#CCCC1(CCC(=O)Nc2cc(N3CCN(C)CC3)ccn2)N=N1 | |
| V0005,C#CCCC1(CCC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)N=N1 | |
| V0006,C#CCCC1(CCC(=O)NCC(C(C)C)N2CCN(C)CC2)N=N1 | |
| V0007,C#CCCC1(CCC(=O)NC(CN2CCN(C)CC2)c2ccc(OC)cc2)N=N1 | |
| V0017,C#CCCC1(CCC(=O)N2CC(C(=O)Nc3cccc(C(F)(F)F)c3)C2)N=N1 | |
| V0018,C#CCCC1(CCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)N=N1 | |
| V0019,C#CCCC1(CCC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)N=N1 | |
| V0021,C#CCCC1(CCNC(=O)c2cccn3cc(CN4CCCC4)nc23)N=N1 | |
| V0022,C#CCCC1(CCNC(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)N=N1 | |
| V0023,C#CCCC1(CCNC(=O)C2CCC(NC(=O)c3cccc(F)c3)C2)N=N1 | |
| V0033,C#CCCC1(CCC(=O)NCCCn2[nH]c(=O)c3c2CCCC3)N=N1 | |
| V0034,C#CCCC1(CCC(=O)NCc2cc3c([nH]c2=O)CCN(C)C3)N=N1 | |
| V0035,C#CCCC1(CCNC(=O)c2cnc(C3CCOCC3)[nH]c2=O)N=N1 | |
| V0036,C#CCCC1(CCNC(=O)C(Cc2c[nH]c3ncccc23)NC(C)=O)N=N1 | |
| V0037,C#CCCC1(CCC(=O)Nc2cc3c([nH]c2=O)CCCC3)N=N1 | |
| V0038,C#CCCC1(CCC(=O)NCc2nnc(-c3ccncc3)[nH]2)N=N1 | |
| V0039,C#CCCC1(CCC(=O)NCc2cc(C(=O)NC)c3n2CCCC3)N=N1 | |
| V0047,C#CCCC1(CCSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)N=N1 | |
| V0048,C#CCCC1(CCSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)N=N1 | |
| V0049,C#CCCC1(CCC(=O)Nc2csc(-c3ccccc3)n2)N=N1 | |
| V0051,C#CCCC1(CCC(=O)NCC(O)c2ccc(-c3ccccc3)cc2)N=N1 | |
| V0052,C#CCCC1(CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)N=N1 | |
| V0053,C#CCCC1(CCNC(=O)C(N)c2ccc3ccccc3c2)N=N1 | |
| V0054,C#CCCC1(CCNC(=O)c2cccc3cccc(OC)c23)N=N1 | |
| V0081,C#CCCC1(CCC(=O)N2CCCc3c(OC(F)F)cccc32)N=N1 | |
| V0157,C#CCCC1(CCC(=O)N2CCCC2Cc2c(F)cccc2Cl)N=N1 | |
| V0302,C#CCCC1(CCNC(=O)C2=NN(c3ccccc3)C(C(=O)OC(C)(C)C)C2)N=N1 | |
| V0480,C#CCCC1(CCC(=O)Nc2ccc3nc(-c4cnn(C)c4)oc3c2)N=N1 | |
| V4856,C#CCCC1(CCC(=O)Nc2cnn(C3COCCN(C(=O)OC(C)(C)C)C3)c2)N=N1 | |
| V5151,C#CCCC1(CCC(=O)N2C(C)CCC(C(=O)O)C2C)N=N1 | |
| V5335,C#CCCC1(CCNC(=O)c2cn(C3COCC3CNC(=O)OC(C)(C)C)nn2)N=N1 | |