ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
48333 | Cc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)n1 | [C][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc4cc6n1.c15ccc(Cl)cc1.c16ccncc1.N34.C35 |
48334 | CCOC(=O)N1CCN(c2cc(-c3ccncc3)nc(C)n2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | c17cc8nc(C)n1.N15CCN7CC1.c18ccncc1.C45=O.CC6.O46 |
48339 | c1ccc(-c2nc(NCc3ccco3)cc(-c3ccncc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] | c17nc5cc8n1.c1ccc7cc1.c18ccncc1.c16ccco1.N45.C46 |
48342 | CCN(CC)c1cc(-c2ccncc2)nc(-c2ccccn2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15cc7nc6n1.c17ccncc1.c16ccccn1.N345.CC3.C4C |
48343 | c1ccc(-c2nc(NCc3ccncc3)cc(-c3ccncc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][#Branch2] | c17nc5cc8n1.c1ccc7nc1.c16ccncc1.c18ccncc1.N45.C46 |
48346 | OC1CCN(c2cc(-c3ccncc3)nc(-c3ccccn3)n2)CC1 | [O][C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] | c14cc6nc5n1.OC1CCN4CC1.c16ccncc1.c15ccccn1 |
48347 | c1ccc(-c2nc(NCc3ccco3)cc(-c3ccncc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] | c17nc5cc8n1.c1ccc7nc1.c18ccncc1.c16ccco1.N45.C46 |
48348 | c1ccc(-c2nc(Nc3ncccn3)cc(-c3ccncc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] | c16nc4cc7n1.c1ccc6nc1.c15ncccn1.c17ccncc1.N45 |
48350 | c1ccc(-c2nc(NC3CC3)cc(-c3ccncc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | c16nc4cc7n1.c1ccc6nc1.c17ccncc1.C15CC1.N45 |
48351 | CCN(CC)c1cc(-c2ccncc2)nc(-c2cccnc2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15cc6nc7n1.c16ccncc1.c17cccnc1.N345.CC3.C4C |
48352 | c1cncc(-c2nc(NCc3ccncc3)cc(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][S][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] | c17nc5cc8n1.c1cncc7c1.c16ccncc1.c18ccncc1.N45.C46 |
48353 | c1cncc(-c2nc(-c3ccncc3)cc(N3CCCCC3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c15nc4cc6n1.c1cncc5c1.c16ccncc1.N14CCCCC1 |
48354 | OC1CCN(c2cc(-c3ccncc3)nc(-c3cccnc3)n2)CC1 | [O][C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] | c14cc5nc6n1.OC1CCN4CC1.c15ccncc1.c16cccnc1 |
48356 | c1cncc(-c2nc(NCc3ccco3)cc(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | c17nc5cc8n1.c1cncc7c1.c18ccncc1.c16ccco1.N45.C46 |
48357 | c1cncc(-c2nc(NC3CC3)cc(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | c16nc4cc7n1.c1cncc6c1.c17ccncc1.C15CC1.N45 |
48359 | c1cc(CNc2cc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][S][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][#Branch2] | c15cc7nc8n1.c1cc6ccn1.c17ccncc1.c18ccncc1.C46.N45 |
48360 | c1cc(-c2cc(N3CCOCC3)nc(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] | c15cc4nc6n1.c1cc5ccn1.N14CCOCC1.c16ccncc1 |
48361 | c1cc(-c2cc(N3CCCCC3)nc(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] | c15cc4nc6n1.c1cc5ccn1.N14CCCCC1.c16ccncc1 |
48362 | OC1CCN(c2cc(-c3ccncc3)nc(-c3ccncc3)n2)CC1 | [O][C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] | c14cc5nc6n1.OC1CCN4CC1.c15ccncc1.c16ccncc1 |
48364 | c1coc(CNc2cc(-c3ccncc3)nc(-c3ccncc3)n2)c1 | [C][=C][O][C][Branch2][Ring1][S][C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] | c15cc7nc8n1.c17ccncc1.c18ccncc1.c1coc6c1.C46.N45 |
48365 | c1cnc(Nc2cc(-c3ccncc3)nc(-c3ccncc3)n2)nc1 | [C][=C][N][=C][Branch2][Ring1][#C][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch2] | c15cc6nc7n1.c1cnc4nc1.c16ccncc1.c17ccncc1.N45 |
48369 | Cc1nc(-c2ccc(F)cc2)cc(N2CCC3(CC2)OCCO3)n1 | [C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | N14CCC2(CC1)OCCO2.Cc1nc4cc5n1.c15ccc(F)cc1 |
48370 | CCN(CC)c1cc(-c2ccc(F)cc2)nc(C)n1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][C][C][=N][Ring1][=C] | c15cc6nc(C)n1.c16ccc(F)cc1.N345.CC3.C4C |
48371 | Cc1nc(NCc2ccncc2)cc(-c2ccc(F)cc2)n1 | [C][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc4cc6n1.c16ccc(F)cc1.c15ccncc1.N34.C35 |
48372 | Cc1nc(Nc2ccncc2)cc(-c2ccc(F)cc2)n1 | [C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc3cc5n1.c15ccc(F)cc1.c14ccncc1.N34 |
48373 | Cc1nc(-c2ccc(F)cc2)cc(N2CCOCC2)n1 | [C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc3cc4n1.c14ccc(F)cc1.N13CCOCC1 |
48374 | Cc1nc(-c2ccc(F)cc2)cc(N2CCCCC2)n1 | [C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc3cc4n1.c14ccc(F)cc1.N13CCCCC1 |
48375 | Cc1nc(-c2ccc(F)cc2)cc(N2CCC(O)CC2)n1 | [C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc3cc4n1.c14ccc(F)cc1.N13CCC(O)CC1 |
48376 | Cc1nc(NCc2ccco2)cc(-c2ccc(F)cc2)n1 | [C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc4cc6n1.c16ccc(F)cc1.c15ccco1.N34.C35 |
48378 | Fc1ccc(-c2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c16cc4nc5n1.Fc1ccc6cc1.N14CCOCC1.c15ccccn1 |
48379 | Fc1ccc(-c2cc(Nc3ncccn3)nc(-c3ccccn3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] | c17cc4nc6n1.Fc1ccc7cc1.c15ncccn1.c16ccccn1.N45 |
48380 | Fc1ccc(-c2cc(NC3CC3)nc(-c3ccccn3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c17cc4nc6n1.Fc1ccc7cc1.c16ccccn1.C15CC1.N45 |
48381 | Fc1ccc(-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c15cc4nc6n1.Fc1ccc5cc1.N14CCOCC1.c16cccnc1 |
48382 | Fc1ccc(-c2cc(Nc3ncccn3)nc(-c3cccnc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] | c16cc4nc7n1.Fc1ccc6cc1.c15ncccn1.c17cccnc1.N45 |
48383 | Fc1ccc(-c2cc(NC3CC3)nc(-c3cccnc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16cc4nc7n1.Fc1ccc6cc1.c17cccnc1.C15CC1.N45 |
48385 | Fc1ccc(-c2cc(NC3CC3)nc(-c3ccncc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16cc4nc7n1.Fc1ccc6cc1.c17ccncc1.C15CC1.N45 |
48387 | Cc1nc(-c2ccccc2F)cc(N2CCC3(CC2)OCCO3)n1 | [C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | N14CCC2(CC1)OCCO2.Cc1nc4cc5n1.c15ccccc1F |
48388 | CCN(CC)c1cc(-c2ccccc2F)nc(C)n1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][C][C][=N][Ring1][=C] | c15cc6nc(C)n1.c16ccccc1F.N345.CC3.C4C |
48389 | Cc1nc(NCc2ccncc2)cc(-c2ccccc2F)n1 | [C][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Branch1] | Cc1nc4cc6n1.c16ccccc1F.c15ccncc1.N34.C35 |
48390 | Cc1nc(Nc2ccncc2)cc(-c2ccccc2F)n1 | [C][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring2] | Cc1nc3cc5n1.c15ccccc1F.c14ccncc1.N34 |
48391 | Cc1nc(-c2ccccc2F)cc(N2CCOCC2)n1 | [C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc3cc4n1.c14ccccc1F.N13CCOCC1 |
48392 | Cc1nc(-c2ccccc2F)cc(N2CCCCC2)n1 | [C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc3cc4n1.c14ccccc1F.N13CCCCC1 |
48393 | Cc1nc(-c2ccccc2F)cc(N2CCC(O)CC2)n1 | [C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc3cc4n1.c14ccccc1F.N13CCC(O)CC1 |
48394 | Cc1nc(NCc2ccco2)cc(-c2ccccc2F)n1 | [C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Ring2] | Cc1nc4cc6n1.c16ccccc1F.c15ccco1.N34.C35 |
48396 | Fc1ccccc1-c1cc(N2CCOCC2)nc(-c2ccccn2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15cc3nc4n1.Fc1ccccc15.N13CCOCC1.c14ccccn1 |
48397 | Fc1ccccc1-c1cc(NC2CC2)nc(-c2ccccn2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][S] | c16cc3nc5n1.Fc1ccccc16.c15ccccn1.C14CC1.N34 |
48398 | Fc1ccccc1-c1cc(N2CCOCC2)nc(-c2cccnc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c14cc3nc5n1.Fc1ccccc14.N13CCOCC1.c15cccnc1 |
48399 | Fc1ccccc1-c1cc(Nc2ncccn2)nc(-c2cccnc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c15cc3nc6n1.Fc1ccccc15.c14ncccn1.c16cccnc1.N34 |
48400 | Fc1ccccc1-c1cc(NC2CC2)nc(-c2cccnc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][S] | c15cc3nc6n1.Fc1ccccc15.c16cccnc1.C14CC1.N34 |
48401 | Fc1ccccc1-c1cc(NCc2ccco2)nc(-c2ccncc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c16cc4nc7n1.Fc1ccccc16.c17ccncc1.c15ccco1.N34.C35 |
48402 | Fc1ccccc1-c1cc(NC2CC2)nc(-c2ccncc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][S] | c15cc3nc6n1.Fc1ccccc15.c16ccncc1.C14CC1.N34 |
48403 | Cc1nc(NCc2ccncc2)cc(-c2cccc(C(F)(F)F)c2)n1 | [C][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch2] | Cc1nc4cc7n1.c17cccc6c1.c15ccncc1.C6(F)(F)F.N34.C35 |
48404 | Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1 | [C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1nc3cc5n1.c15cccc4c1.N13CCOCC1.C4(F)(F)F |
48405 | Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCC(O)CC2)n1 | [C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1] | Cc1nc3cc5n1.c15cccc4c1.N13CCC(O)CC1.C4(F)(F)F |
48406 | Cc1nc(NCc2ccco2)cc(-c2cccc(C(F)(F)F)c2)n1 | [C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1] | Cc1nc4cc7n1.c17cccc6c1.c15ccco1.C6(F)(F)F.N34.C35 |
48408 | COc1ccc(-c2cnc(N3CCCC3)nc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O][C][=C][Ring1][P] | c14ccc6cc1.c16cnc5nc1.N15CCCC1.CO4 |
48409 | CC1CN(c2ncc(-c3cccs3)cn2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][C][C][=N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN4CC(C)O1.c14ncc5cn1.c15cccs1 |
48410 | CC1CN(c2ncc(-c3ccccc3)cn2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1] | CC1CN4CC(C)O1.c14ncc5cn1.c15ccccc1 |
48412 | CC1CN(c2ncc(Br)cn2)CC(C)O1 | [C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][=C] | CC1CN3CC(C)O1.c13ncc(Br)cn1 |
48413 | O=C1CCN(C(=O)Cc2ccc(F)cc2)CCN1 | [O][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Ring1][P] | O=C1CCN3CCN1.c14ccc(F)cc1.C3(=O)C4 |
48414 | Cc1cnc(CNc2ccc(S(C)(=O)=O)cc2F)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][=N][Ring2][Ring1][Ring1] | c14ccc(S(C)(=O)=O)cc1F.Cc1cnc5cn1.C35.N34 |
48415 | CS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][P] | CS(=O)(=O)c1ccc4c(F)c1.N14CCC2(CC1)OCCO2 |
48416 | CS(=O)(=O)c1ccc(NCc2cccnc2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][#C] | CS(=O)(=O)c1ccc4c(F)c1.c15cccnc1.N34.C35 |
48417 | CS(=O)(=O)c1ccc(N2CCOCC2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N] | CS(=O)(=O)c1ccc3c(F)c1.N13CCOCC1 |
48418 | CS(=O)(=O)c1ccc(N2CCCCC2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N] | CS(=O)(=O)c1ccc3c(F)c1.N13CCCCC1 |
48419 | CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1F | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F] | c13ccc(S(C)(=O)=O)cc1F.c14ccccc1.CN23.C24 |
48420 | CS(=O)(=O)c1ccc(NCc2ccccc2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][#C] | CS(=O)(=O)c1ccc4c(F)c1.c15ccccc1.N34.C35 |
48421 | CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring1][P] | CS(=O)(=O)c1ccc4c(F)c1.N14CCc2ccccc2C1 |
48422 | CC(Nc1ccc(S(C)(=O)=O)cc1F)c1ccccc1 | [C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc(S(C)(=O)=O)cc1F.c14ccccc1.CC24.N23 |
48423 | CCOC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2F)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][C][Ring1][P] | c16ccc(S(C)(=O)=O)cc1F.N14CCN6CC1.C34=O.CC5.O35 |
48424 | CS(=O)(=O)c1ccc(NC2CCCCC2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=C] | CS(=O)(=O)c1ccc3c(F)c1.C14CCCCC1.N34 |
48425 | CC1CN(c2ccc(S(C)(=O)=O)cc2F)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][C][Branch1][C][C][O][Ring2][Ring1][C] | c13ccc(S(C)(=O)=O)cc1F.CC1CN3CC(C)O1 |
48426 | CC(C)N(c1ccc(S(C)(=O)=O)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][C] | c14ccc(S(C)(=O)=O)cc1.CC2C.N234.C3(C)C |
48427 | CS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring1][S] | CS(=O)(=O)c1ccc4cc1.N14CCC2(CC1)OCCO2 |
48428 | CS(=O)(=O)c1ccc(NCc2cccnc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=C] | CS(=O)(=O)c1ccc4cc1.c15cccnc1.N34.C35 |
48429 | CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c13ccc(S(C)(=O)=O)cc1.c14ccccc1.CN23.C24 |
48430 | CS(=O)(=O)c1ccc(NCc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | CS(=O)(=O)c1ccc4cc1.c15ccccc1.N34.C35 |
48431 | CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring1][S] | CS(=O)(=O)c1ccc4cc1.N14CCc2ccccc2C1 |
48433 | CC(Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 | [C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc(S(C)(=O)=O)cc1.c14ccccc1.CC24.N23 |
48434 | CCOC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][S] | c16ccc(S(C)(=O)=O)cc1.N14CCN6CC1.C34=O.CC5.O35 |
48435 | CS(=O)(=O)c1ccc(NC2CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N] | CS(=O)(=O)c1ccc3cc1.C14CCCCC1.N34 |
48436 | CC1CN(c2ccc(S(C)(=O)=O)cc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Branch1][C][C][O][Ring1][P] | c13ccc(S(C)(=O)=O)cc1.CC1CN3CC(C)O1 |
48437 | CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | CS(=O)(=O)c1ccc5cc1.N15CCN4CC1.c16ccccc1.C46=O |
48439 | CS(=O)(=O)c1ccc(N2CCC(O)CC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=N] | CS(=O)(=O)c1ccc3cc1.N13CCC(O)CC1 |
48440 | CS(=O)(=O)c1ccc(N2CCC(O)CC2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C] | CS(=O)(=O)c1ccc3c(F)c1.N13CCC(O)CC1 |
48442 | O=C(NCc1ccncc1)c1ccc2cncc(-c3ccccc3)c2n1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring1][S] | c16ccc2cncc8c2n1.c17ccncc1.c18ccccc1.O=C46.N45.C57 |
48443 | O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2cncc6c2n1.c16ccccc1.N14CCOCC1.O=C45 |
48444 | O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O][=N][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2cncc6c2n1.N14CCOCC1.c16ccsc1.O=C45 |
48445 | O=C(c1ccc2cncc(-c3ccsc3)c2n1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O][=N][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2cncc6c2n1.N14CCCCC1.c16ccsc1.O=C45 |
48446 | O=C(NCc1ccccc1)c1ccc2cncc(-c3ccsc3)c2n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O][=N][Ring1][#C] | c16ccc2cncc8c2n1.c17ccccc1.c18ccsc1.O=C46.N45.C57 |
48447 | O=C(NCc1ccco1)c1ccc2cncc(-c3ccsc3)c2n1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O][=N][Ring1][#C] | c16ccc2cncc8c2n1.c17ccco1.c18ccsc1.O=C46.N45.C57 |
48448 | CC(C)(C)C(=O)N1CCCN(c2ccc(S(C)(=O)=O)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][P] | c14ccc(S(C)(=O)=O)cc1.N13CCCN4CC1.CC(C)(C)C3=O |
48450 | CCNC(=O)N1CCCN(c2ccc(S(C)(=O)=O)cc2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][P] | c16ccc(S(C)(=O)=O)cc1.N14CCCN6CC1.C34=O.CC5.N35 |
48451 | CC(=O)N1CCCN(c2ccc(S(C)(=O)=O)cc2F)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][C][Ring2][Ring1][C] | c14ccc(S(C)(=O)=O)cc1F.N13CCCN4CC1.CC3=O |
48452 | CS(=O)(=O)c1ccc(N2CCCC(O)C2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring1][=N] | CS(=O)(=O)c1ccc3cc1.N13CCCC(O)C1 |
48453 | CS(=O)(=O)c1ccc(N2CCCC(O)C2)c(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C] | CS(=O)(=O)c1ccc3c(F)c1.N13CCCC(O)C1 |
48455 | O=c1ccc(-c2ccco2)cn1Cc1ccccc1 | [O][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1ccc5cn13.c14ccccc1.c15ccco1.C34 |
48456 | O=c1ccc(-c2ccco2)cn1Cc1ccc(F)cc1F | [O][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][N][Ring1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | O=c1ccc5cn13.c14ccc(F)cc1F.c15ccco1.C34 |
48457 | CC(C)(C)C(=O)N1CCc2nc3ccccn3c(=O)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.CC(C)(C)C4=O |
48458 | O=C(Cc1ccccc1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.c15ccccc1.O=C4C5 |
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