ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3506 | COc1ccc(CC(=O)Nc2cc(C)on2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16cc(C)on1.C7C3=O.CO4.N36.O5C |
3507 | CC1(O)N(Cc2ccccn2)C(=O)OC12CCCCC2 | [C][C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=C][C][C][C][C][C][Ring1][=Branch1] | CC1(O)N3C(=O)OC12CCCCC2.c14ccccn1.C34 |
3508 | O=C(NCC1OCCc2ccccc21)c1ccc(Br)cc1 | [O][=C][Branch1][P][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C4C1OCCc2ccccc21.c15ccc(Br)cc1.O=C35.N34 |
3509 | O=C(NCC1OCCc2ccccc21)c1ccccc1Cl | [O][=C][Branch1][P][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C4C1OCCc2ccccc21.c15ccccc1Cl.O=C35.N34 |
3510 | Cc1cc(C)nc(NC(=O)C(C)Oc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc6n1.c15ccccc1.C3(=O)C4C.N36.O45 |
3513 | CC(C)(C)C(=O)Nc1ncnc2sc3c(c12)CCCC3 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15ncnc2sc3c(c12)CCCC3.CC(C)(C)C4=O.N45 |
3515 | Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][N][=Ring2][Ring1][Ring2] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.Cc1cc(C)n4n1 |
3517 | Cc1nc(N)ncc1-c1nnnn1-c1ccc(Br)cc1 | [C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1nc(N)ncc13.c12ccc(Br)cc1.c13nnnn12 |
3518 | Cc1nc(N)ncc1-c1nnnn1-c1ccc(-c2ccccc2)cc1 | [C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | Cc1nc(N)ncc14.c13ccc5cc1.c14nnnn13.c15ccccc1 |
3519 | Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c14cnc(N)nc15.Cc1ccc3cc1.n13nnnc14.c15ccccc1 |
3521 | COc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc4cc1.n14nnnc15.c15cnoc16.c16ccccc1.CO3 |
3522 | Cc1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5cnn14.c13ccc(Cl)cc1.c15nnnn13.c14ccccc1 |
3523 | CC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.CC(C)CC3=O.c15ccco1.C45=O |
3524 | Cc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc4cc1.c16cnn5c1C.n14nnnc16.c15ccccc1 |
3525 | O=C(c1ccncc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c16ccc(F)cc1.c15ccncc1.O=C35.C46=O |
3526 | O=C(CCC1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15cccc(F)c1.O=C3CC6.C16CCCC1.C45=O |
3527 | COc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.N14CCN5CC1.c18ccc(F)cc1.C47=O.C58=O.CO6 |
3528 | COc1cccc(OC)c1C(=O)N1CCN(C(=O)C2CC2)CC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | c15cccc6c18.N13CCN4CC1.C38=O.C47=O.C17CC1.CO5.O6C |
3529 | O=C(c1ccncc1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N13CCN4CC1.c16ccccc1F.c15ccncc1.O=C35.C46=O |
3530 | O=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16cccnc1.c15ccco1.O=C36.C45=O |
3531 | COc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN5CC1.c18ccccc1.C5(=O)C8.C47=O.CO6 |
3532 | O=C(COc1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N13CCN4CC1.c17ccccc1F.c16ccccc1.O=C3C5.C47=O.O56 |
3534 | N#Cc1ccc(-c2c(C#N)c(N)n(N)c(=O)c2C#N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][O][C][#N][C][=C][Ring2][Ring1][Ring1] | c13c(C#N)c(N)n(N)c(=O)c1C#N.N#Cc1ccc3cc1 |
3535 | O=C(NC1CC1)C1CC=CCC1C(=O)OCC(F)(F)C(F)F | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F] | C16CC=CCC17.C4C(F)(F)C(F)F.O=C36.C15CC1.C27=O.N35.O24 |
3536 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc4cc1.CCC3C.O23.O4C |
3537 | COC(=O)c1cc(=O)n2c(c1C(=O)c1cccs1)SCC2 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][#C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][C][Ring1][=N] | c15cc(=O)n2c(c16)SCC2.c14cccs1.C35=O.C46=O.CO3 |
3538 | COc1cccc(NC(=O)c2sc(C)nc2C)c1 | [C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][Ring1][S] | c14cccc5c1.c16sc(C)nc1C.C36=O.CO4.N35 |
3539 | COc1ccc(NC(=O)c2sc(C)nc2C)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][=C][Ring1][S] | c14ccc5cc1.c16sc(C)nc1C.C36=O.CO4.N35 |
3540 | Cc1nc(C)c(C(=O)Nc2cccc3ccccc23)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c15cccc2ccccc12.Cc1nc(C)c6s1.C46=O.N45 |
3543 | Cc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c16ccc(S(N)(=O)=O)cc1.Cc1ccc5cc1.C4C3=O.O45.N36 |
3550 | Cc1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c17nnc5s1.c16ccco1.C46=O.N45 |
3551 | COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc16.c19nnc7s1.c18cccs1.C48=O.CO5.N47.O6C |
3553 | CSc1nc2ccccc2c(=O)n1CC(=O)C(C)(C)C | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c14nc2ccccc2c(=O)n13.C3C(=O)C(C)(C)C.CS4 |
3554 | CC1=C(C(=O)OCC2CCCO2)C(c2ccc(O)cc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C6NC(=O)N1.c16ccc(O)cc1.C15CCCO1.O34.C45 |
3555 | Cc1cccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][Branch1][C][O][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c14nc(C)cc(C)n1.Cc1cccc5c1.n15c(O)cnc13.N34 |
3556 | CSc1c(-c2ccccc2)c(N)nn1S(=O)(=O)c1ccccc1 | [C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=N][N][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13c4c(N)nn1S(=O)(=O)c1ccccc1.c14ccccc1.CS3 |
3557 | Cc1cc(C)nc(Nc2ncc(O)n2-c2ccccc2C)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc3n1.c14ncc(O)n15.c15ccccc1C.N34 |
3558 | COc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][O][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | c13ccc7cc14.c16nc(C)cc(C)n1.n17c(O)cnc15.CO3.N56.O4C |
3559 | Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(F)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc3n1.c14ncc(O)n15.c15ccc(F)cc1.N34 |
3560 | CCOC(=O)c1cnc(C)c(C(=O)OC)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | c15cnc(C)c6c17.C7(F)(F)F.C25=O.C36=O.CC4.O24.O3C |
3561 | Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2Cl)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch1][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc3n1.N3C1=NCC(=O)N14.c14ccccc1Cl |
3563 | CCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c18nc2ccccc2[nH]1.c17nnc6s1.C4(=O)C5.CC7.N46.S58 |
3564 | CCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c18nc2ccccc2o1.c17nnc6s1.C4(=O)C5.CC7.N46.S58 |
3565 | COc1ccc(S(=O)(=O)NCc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1.CO3.N56.C57.O4C |
3566 | CCOC(=O)CCSc1nc(C)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][C][S][C][=N][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] | c16nc(C)c2ccccc2n1.C3(=O)CC5.CC4.O34.S56 |
3567 | CCOC(=O)CSc1nc(C)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] | c16nc(C)c2ccccc2n1.C3(=O)C5.CC4.O34.S56 |
3568 | COc1ccc(C(=O)NCc2csc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18csc2ccccc12.c15ccc7cc1.C47=O.CO5.N46.C68 |
3570 | O=C(NCc1csc2ccccc12)c1cccs1 | [O][=C][Branch1][S][N][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c16csc2ccccc12.c15cccs1.O=C35.N34.C46 |
3571 | O=C(NCc1csc2ccccc12)c1ccco1 | [O][=C][Branch1][S][N][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c16csc2ccccc12.c15ccco1.O=C35.N34.C46 |
3572 | COc1ccc(-n2c(Nc3nc(C)cc(C)n3)nc(C)cc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][Branch1][S][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=N][C][Branch1][C][C][=C][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n17c5nc(C)cc1=O.c16nc(C)cc(C)n1.c14ccc7cc1.CO4.N56 |
3573 | CCOC(=O)N1CCN(C2=CC(=O)OC23CCCCC3)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P] | N15CCN(C2=CC(=O)OC23CCCCC3)CC1.C45=O.CC6.O46 |
3574 | CC(C)(C)c1ccc(NC(=O)c2cnccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cnccn1.CC6(C)C.C35=O.N34 |
3575 | Cc1nc(NC(=O)c2cnccn2)ccc1Br | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | Cc1nc4ccc1Br.c15cnccn1.C35=O.N34 |
3576 | CCOC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c18cc6c7cc19.C24=O.C39=O.CC5.O25.N48.O6C.O7C.O3C |
3577 | COc1cc2[nH]c(=O)n(CCO)c(=O)c2cc1OC | [C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=Ring1][O][C][=C][Ring1][#C][O][C] | c13cc2[nH]c(=O)n5c(=O)c2cc14.C5CO.CO3.O4C |
3578 | O=C(Nc1ccc2c(c1)OCCO2)c1cnccn1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c15cnccn1.O=C35.N34 |
3579 | COc1ccc(Cn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | n17c(=O)[nH]c2cc5c6cc2c1=O.c14ccc8cc1.CO4.C78.O5C.O6C |
3580 | Cn1cnnc1SCC(=O)Nc1ccccc1C#N | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c14ccccc1C#N.Cn1cnnc15.C3C2=O.S35.N24 |
3581 | Cc1cc(NC(=O)CSc2nc3ccccc3o2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring1] | c17nc2ccccc2o1.Cc1cc6no1.C4(=O)C5.N46.S57 |
3583 | COc1cc(NC(=O)c2ccc3c(c2)OCO3)c2ncccc2c1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c15cc6c2ncccc2c1.c17ccc2c(c1)OCO2.C47=O.CO5.N46 |
3586 | CC(C)(C)c1ccc(C(=O)Nn2nnc3ccccc3c2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | C4(=O)Nn1nnc2ccccc2c1=O.c15ccc4cc1.CC5(C)C |
3588 | Cc1ccc(NC(=O)c2nn(C)cc2Br)c(C)c1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc4c(C)c1.c15nn(C)cc1Br.C35=O.N34 |
3589 | O=C(Nc1ccc(F)c(F)c1F)c1cnccn1 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc(F)c(F)c1F.c14cnccn1.O=C24.N23 |
3590 | O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnccn1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccc4cc1.c15ccccc1.c17cnccn1.O=C37.N36.O45 |
3591 | COc1cc(NC(=O)c2cnccn2)cc(OC)c1 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14cc5cc6c1.c17cnccn1.C37=O.CO4.N36.O5C |
3593 | Cc1c(NC(=O)C2CC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C] | Cc1c4c(=O)n6n1C.c16ccccc1.C35=O.C15CC1.N34 |
3594 | N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][P] | N#Cc1cc2c(nc15)CCC2.N13CCOCC1.C4C3=O.S45 |
3595 | N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring1] | N#Cc1cc2c(nc15)CCCCC2.N13CCOCC1.C4C3=O.S45 |
3596 | O=C(OCCn1ncc2ccccc2c1=O)c1ccc(F)cc1Cl | [O][=C][Branch2][Ring1][Ring1][O][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] | n16ncc2ccccc2c1=O.c15ccc(F)cc1Cl.O=C35.C4C6.O34 |
3597 | O=c1c2ccccc2cnn1CCc1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2ccccc2cnn13.c14ccccc1.C3C4 |
3598 | O=C(OCCn1ncc2ccccc2c1=O)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][O][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][S][Ring1][Branch1] | n16ncc2ccccc2c1=O.c15cccs1.O=C35.C4C6.O34 |
3599 | CCN(CC)C(=O)CSc1nc(C)cc(C)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c16nc(C)cc(C)n1.C2(=O)C5.N234.CC3.C4C.S56 |
3600 | Cc1cc(C)nc(SCC(=O)N2CCOCC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | Cc1cc(C)nc5n1.N13CCOCC1.C4C3=O.S45 |
3601 | Cn1c(=O)c2c(-c3ccccc3)ccnc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c4ccnc2n(C)c1=O.c14ccccc1 |
3603 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.C16CCN5CC1.C36=O.CC4.O34 |
3604 | COc1ccc(CCC(=O)C2(O)CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] | c13ccc5cc1.C14(O)CCCCC1.C5CC4=O.CO3 |
3605 | CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C] | c16ccc2c(C)cc(=O)oc2c1C.C3(=O)C5.CC4.O34.O56 |
3606 | CN1C(=O)C(O)(CC(=O)c2ccc(N)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(N)cc1 |
3607 | O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1CC1CC1 | [O][=C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Branch1][C][=O][C][N][Ring2][Ring1][C][C][C][C][C][Ring1][Ring1] | O=C1CN6C(=O)CN14.c16ccc3cc1.O3C(F)(F)F.C15CC1.C45 |
3608 | O=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccco1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1c2ccccc2NC5N13.c15ccc(F)cc1.c14ccco1.C34 |
3609 | O=C1c2ccccc2NC(c2cccc(F)c2)N1Cc1ccco1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1c2ccccc2NC5N13.c15cccc(F)c1.c14ccco1.C34 |
3610 | COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | C17Nc2ccccc2C(=O)N15.c14ccc7cc1.c16ccco1.CO4.C56 |
3611 | O=C1c2ccccc2NC(c2cccc(O)c2)N1Cc1ccco1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Ring1][P][C][C][=C][C][=C][O][Ring1][Branch1] | O=C1c2ccccc2NC5N13.c15cccc(O)c1.c14ccco1.C34 |
3612 | C=C(C)c1nc2ccc(Br)cc2c(=O)o1 | [C][=C][Branch1][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N] | C=C(C)c1nc2ccc(Br)cc2c(=O)o1 |
3614 | CCC(=O)Nc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][P] | c16c[nH]c(=O)[nH]c1=O.c15ccc7cc1.CCC3=O.C47=O.N35.N46 |
3615 | CC(=O)Oc1ccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c18nc2ccc7cc2c(=O)o1.c16ccc8cc1.CC4=O.C5(C)=O.O46.O57 |
3616 | CCOC(=O)c1cnc2sc3ccccc3n2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=N][=O] | c16cnc2sc3ccccc3n2c1=O.C46=O.CC5.O45 |
3617 | O=C(COc1ccc(Cl)cc1)Nc1c[nH]c(=O)[nH]c1=O | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c15c[nH]c(=O)[nH]c1=O.c14ccc(Cl)cc1.O=C2C3.O34.N25 |
3618 | c1ccc(-c2onc3cc4c(cc23)OCCO4)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][N][=C][C][=C][C][=Branch1][#Branch1][=C][C][=Ring1][=Branch2][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c15onc2cc3c(cc12)OCCO3.c1ccc5cc1 |
3619 | COC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c15nc2c(c(=O)n(C)c(=O)n2C)n1C.C3(=O)C4.CO3.S45 |
3620 | CC(C)c1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c16c[nH]c(=O)[nH]c1=O.c17ccc5cc1.C4C3=O.CC7C.O45.N36 |
3621 | COc1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c16c[nH]c(=O)[nH]c1=O.c14ccccc15.C3C2=O.CO4.O35.N26 |
3622 | Cn1c(NCc2ccc(F)cc2)cc(=O)n(C)c1=O | [C][N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c4cc(=O)n(C)c1=O.c15ccc(F)cc1.N34.C35 |
3623 | CC(C)(C)OC(=O)N1CC(O)CC1C(=O)Nc1ccc(F)cc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(O)CC17.c16ccc(F)cc1.CC5(C)C.C23=O.C47=O.O25.N46 |
3624 | Cc1cc(C)n(C(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n(C(=O)CCC3=O)n1.c14ccc(Cl)cc1Cl.N34 |
3625 | O=C(NC1CCCCC1NC(=O)c1cccs1)c1cccs1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | C14CCCCC15.c17cccs1.c16cccs1.O=C26.C37=O.N24.N35 |
3626 | COc1ccc(C(=O)COc2cc(=O)oc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16cc(=O)oc2ccccc12.c15ccc7cc1.C7(=O)C4.CO5.O46 |
3627 | CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][Branch1][C][C][=O] | c14ccc2c(C)cc(=O)oc2c15.CCC3=O.C5(C)=O.O34 |
3628 | O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | C14CCCCC15.c17ccco1.c16ccco1.O=C26.C37=O.N24.N35 |
3629 | COc1cc2c(cc1C)C(=O)C(C1(O)C(=O)Nc3ccccc31)CC2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Branch1] | c14cc2c(cc1C)C(=O)C(C1(O)C(=O)Nc3ccccc31)CC2.CO4 |
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