ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
48573 | Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccnc1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCOCC1.c16cccnc1.C46=O |
48574 | Cc1nc2c(c(N3CCOCC3)n1)CN(S(C)(=O)=O)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][C] | Cc1nc5c2c(n1)CCN4C2.N15CCOCC1.S4(C)(=O)=O |
48575 | CCNC(=O)N1CCc2nc(C)nc(N3CCOCC3)c2C1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][C][Ring1][P] | N15CCc2nc(C)nc7c2C1.N17CCOCC1.C45=O.CC6.N46 |
48576 | Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)N1CCOCC1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | Cc1nc6c2c(n1)CCN4C2.N16CCOCC1.N15CCOCC1.C45=O |
48577 | Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)c1cccc(C#N)c1)CC2 | [C][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring2][Ring1][#Branch1] | Cc1nc5c2c(n1)CCN4C2.c16cccc(C#N)c1.N15CCCC1.C46=O |
48578 | CC(=O)N1CCc2nc(C)nc(N3CCCC3)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][Ring1][S] | N14CCc2nc(C)nc5c2C1.N15CCCC1.CC4=O |
48579 | Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)c1cccs1)CC2 | [C][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | Cc1nc5c2c(n1)CCN4C2.N15CCCC1.c16cccs1.C46=O |
48580 | Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)C1CCCCC1)CC2 | [C][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | Cc1nc5c2c(n1)CCN4C2.C16CCCCC1.N15CCCC1.C46=O |
48581 | Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)c1cccnc1)CC2 | [C][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | Cc1nc5c2c(n1)CCN4C2.c16cccnc1.N15CCCC1.C46=O |
48582 | CCNC(=O)N1CCc2nc(C)nc(N3CCCC3)c2C1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][Ring1][S] | N15CCc2nc(C)nc7c2C1.N17CCCC1.C45=O.CC6.N46 |
48584 | Cc1nc2c(c(N3CCCC3)n1)CN(C(=O)N1CCOCC1)CC2 | [C][C][=N][C][=C][Branch1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | Cc1nc6c2c(n1)CCN4C2.N15CCOCC1.N16CCCC1.C45=O |
48585 | CC(=O)N1CCc2nc(C)nc(N3CCCCC3)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][Ring1][P] | N14CCc2nc(C)nc5c2C1.N15CCCCC1.CC4=O |
48586 | Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)c1cccs1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCCCC1.c16cccs1.C46=O |
48587 | Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)C1CCCCC1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCCCC1.C16CCCCC1.C46=O |
48588 | Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)c1cccnc1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCCCC1.c16cccnc1.C46=O |
48589 | Cc1nc2c(c(N3CCCCC3)n1)CN(S(C)(=O)=O)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][C] | Cc1nc5c2c(n1)CCN4C2.N15CCCCC1.S4(C)(=O)=O |
48590 | CCNC(=O)N1CCc2nc(C)nc(N3CCCCC3)c2C1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][Ring1][P] | N15CCc2nc(C)nc7c2C1.N17CCCCC1.C45=O.CC6.N46 |
48591 | CC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCOCC3)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] | N14CCc2nc6nc5c2C1.c16ccccc1.N15CCOCC1.CC4=O |
48592 | CC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] | N14CCc2nc6nc5c2C1.c16ccccc1.N15CCCCC1.CC4=O |
48593 | c1cncc(-c2nc(-c3ccncc3)ncc2-c2ccncn2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | c14nc5ncc16.c1cncc4c1.c15ccncc1.c16ccncn1 |
48594 | c1ccc(-c2ncc(-c3ccncn3)c(-c3ccncc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1ccc4nc1.c15ccncn1.c16ccncc1 |
48595 | c1cncc(-c2ncc(-c3ccncn3)c(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1cncc4c1.c15ccncn1.c16ccncc1 |
48596 | c1cc(-c2ncc(-c3ccncn3)c(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1cc4ccn1.c15ccncn1.c16ccncc1 |
48597 | CCNC(=O)n1cc(-c2cnccn2)c(-c2ccncc2)n1 | [C][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][P] | C3(=O)n1cc5c6n1.c15cnccn1.c16ccncc1.CC4.N34 |
48598 | Nc1ncc(-c2cnccn2)c(-c2ccc(C(F)(F)F)cc2)n1 | [N][C][=N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | Nc1ncc4c5n1.c15ccc3cc1.c14cnccn1.C3(F)(F)F |
48599 | c1cncc(-c2ncc(-c3ccncc3)c(-c3cccnc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c14ncc6c5n1.c1cncc4c1.c16ccncc1.c15cccnc1 |
48600 | c1cncc(-c2nc(-c3ccncc3)ncc2-c2ccncc2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | c14nc5ncc16.c1cncc4c1.c15ccncc1.c16ccncc1 |
48601 | c1ccc(-c2ncc(-c3ccncc3)c(-c3cccnc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | c14ncc6c5n1.c1ccc4nc1.c16ccncc1.c15cccnc1 |
48602 | c1cncc(-c2ncc(-c3ccncc3)c(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c14ncc6c5n1.c1cncc4c1.c16ccncc1.c15ccncc1 |
48603 | c1cc(-c2ncc(-c3ccncc3)c(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] | c14ncc6c5n1.c1cc4ccn1.c16ccncc1.c15ccncc1 |
48606 | c1cncc(-c2nc(-c3ccncc3)ncc2-c2cnccn2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | c14nc5ncc16.c1cncc4c1.c15ccncc1.c16cnccn1 |
48607 | c1cncc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1cncc4c1.c15cnccn1.c16cccnc1 |
48608 | c1ccc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1ccc4nc1.c15cnccn1.c16cccnc1 |
48609 | c1cc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)ccn1 | [C][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1cc4ccn1.c15cnccn1.c16ccncc1 |
48610 | c1cncc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c14ncc5c6n1.c1cncc4c1.c15cnccn1.c16ccncc1 |
48611 | CC(C)(C)C(=O)N1CCc2cc(S(C)(=O)=O)ccc21 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring1][=N] | N13CCc2cc(S(C)(=O)=O)ccc21.CC(C)(C)C3=O |
48612 | O=C(Nc1ccccc1C(F)(F)F)Nc1nccc2cccnc12 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15nccc2cccnc12.c16ccccc17.C7(F)(F)F.O=C34.N36.N45 |
48613 | Cc1ccc(S(=O)(=O)NC(=O)Nc2nccc3cccnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S6(=O)=O)cc1.c17nccc2cccnc12.C45=O.N46.N57 |
48614 | CS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc5cc1.c16ccccc1.C5CC3=O.N34.C46 |
48615 | COc1cccc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c16ccc(S(C)(=O)=O)cc1.c14cccc5c1.C3(=O)CC6.CO4.N35 |
48616 | CC(=O)N1CCC(Nc2ccc3c(c2)CCN3C(C)=O)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Ring1] | c16ccc2c(c1)CCN25.N14CCC7CC1.CC4=O.C5(C)=O.N67 |
48617 | CC(NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(C)(=O)=O)cc1.c14cccs1.CC35.C24=O.N23 |
48618 | CCNC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1 | [C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c16ccc(S(C)(=O)=O)cc1.C23=O.C56C.CC4.N24.N35 |
48619 | O=C(CSc1cnccc1C(F)(F)F)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnccc15.c16ccccc1.O=C2C4.C5(F)(F)F.C3C6.S47.N23 |
48620 | O=C(CSc1cnccc1C(F)(F)F)NCc1cccnc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cnccc15.c16cccnc1.O=C2C4.C5(F)(F)F.S47.N23.C36 |
48621 | O=C1CCN(C(=O)CCC(=O)N2CCc3ccccc3C2)CCN1 | [O][=C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][N][Ring2][Ring1][#Branch1] | N15CCc2ccccc2C1.O=C1CCN4CCN1.C4(=O)CCC5=O |
48622 | CS(=O)(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | CS(=O)(=O)c1cnc3nc14.c13cccnc1.c14ccccc1 |
48623 | CS(=O)(=O)c1cnc(-c2ccccn2)nc1-c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | CS(=O)(=O)c1cnc3nc14.c13ccccn1.c14ccccc1 |
48624 | CS(=O)(=O)c1cnc(-c2ccncc2)nc1-c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | CS(=O)(=O)c1cnc3nc14.c13ccncc1.c14ccccc1 |
48625 | COc1cnc(-c2cccnc2)nc1-c1ccccc1 | [C][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cnc4nc15.c14cccnc1.c15ccccc1.CO3 |
48626 | COc1cnc(-c2ccccn2)nc1-c1ccccc1 | [C][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cnc4nc15.c14ccccn1.c15ccccc1.CO3 |
48627 | COc1cnc(-c2ccncc2)nc1-c1ccccc1 | [C][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cnc4nc15.c14ccncc1.c15ccccc1.CO3 |
48629 | CCOC(=O)c1cc2cnccc2nc1-c1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c16cc2cnccc2nc17.c17ccccc15.C36=O.CC4.O34.O5C |
48630 | CCOC(=O)c1cc2cnccc2nc1-c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc2cnccc2nc16.c16cccnc1.C35=O.CC4.O34 |
48631 | CCOC(=O)c1cc2cnccc2nc1-c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15cc2cnccc2nc16.c16ccccn1.C35=O.CC4.O34 |
48632 | CS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | CS(=O)(=O)c1ccccc14.c15cccnc1.C24=O.N23.C35 |
48633 | CC(C)(C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc2c(c1)CCN24.CC(C)(C)C3=O.S4(C)(=O)=O.N35 |
48634 | CCNC(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc2c(c1)CCN26.S6(C)(=O)=O.C34=O.CC5.N35.N47 |
48635 | Cc1cc(C)nc(N(C)S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=N][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][Ring2][Ring1][#Branch1] | S4(=O)(=O)c1ccc2oc(=O)ccc2c1.Cc1cc(C)nc5n1.N45C |
48636 | Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2oc(=O)ccc2c1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | S3(=O)(=O)c1ccc2oc(=O)ccc2c1.Cc1ccc2c(c1)CCN23 |
48637 | COc1cc(OC)nc(CSc2ccc(N)cc2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][P] | c13cc4nc6n1.c17ccc(N)cc1.CO3.O4C.C56.S57 |
48638 | CC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc21 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][Ring1] | N14CCc2ccc6cc21.S5(=O)(=O)c1ccccc1.CC4=O.N56 |
48639 | COC(=O)c1ccccc1SCc1nc(OC)cc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c17nc3cc4n1.c16ccccc18.C26=O.CO2.S58.C57.O3C.O4C |
48640 | COc1cc(OC)nc(CSc2nc(C)cc(C)n2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][P][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][C] | c13cc4nc6n1.c17nc(C)cc(C)n1.CO3.O4C.C56.S57 |
48641 | COc1cc(OC)nc(CSc2nc3ccccc3[nH]2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c18nc2ccccc2[nH]1.c14cc5nc7n1.CO4.O5C.C67.S68 |
48642 | CC(=O)N1CCC(Nc2ccc3c(c2)CCN3S(C)(=O)=O)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Ring2] | c16ccc2c(c1)CCN25.N14CCC7CC1.S5(C)(=O)=O.CC4=O.N67 |
48643 | CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring1][P] | c16ccc2cc[nH]c2c1.N14CCN5CC1.CC(C)(C)C4=O.C56=O |
48645 | O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccc2cc[nH]c2c1.N13CCN4CC1.c14ccc(F)cc1.O=C35 |
48646 | CS(=O)(=O)c1ccc(Cn2cc(-c3ccncc3)cn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring2][Ring1][C] | CS(=O)(=O)c1ccc5cc1.n14cc6cn1.c16ccncc1.C45 |
48647 | FC(F)(F)c1cccc(Cn2cc(-c3ccncc3)cn2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][O][=C][Ring2][Ring1][C] | c15cccc6c1.n14cc7cn1.c17ccncc1.FC5(F)F.C46 |
48648 | CC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccccc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | S4(=O)(=O)c1ccccc1.N13CCC5CC1.CC3=O.N456.C16CC1 |
48649 | CC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc(C)cc1.N13CCC5CC1.CC3=O.N456.C16CC1 |
48650 | CC(C)n1cc(-c2ccccc2NC(=O)c2ccco2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring2][Ring1][Ring1] | c17ccccc14.n16cc7cn1.c15ccco1.CC6C.C35=O.N34 |
48652 | CC(C)n1cc(-c2ccc(C(=O)NCC3CCCO3)cn2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][Ring1][#C][C][=N][Ring2][Ring1][Ring2] | c19ccc6cn1.n17cc9cn1.C18CCCO1.CC7C.C46=O.N45.C58 |
48653 | CC(C)n1cc(-c2ccc(C(=O)NCc3ccccc3)cn2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c19ccc6cn1.n17cc9cn1.c18ccccc1.CC7C.C46=O.N45.C58 |
48654 | CC(C)n1cc(-c2ccc(C(=O)NCCc3ccccc3)cn2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | c19ccc6cn1.n17cc9cn1.c18ccccc1.CC7C.C46=O.C5C8.N45 |
48655 | CC(C)n1cc(-c2ccc(C(=O)NCc3ccncc3)cn2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c19ccc6cn1.n17cc9cn1.c18ccncc1.CC7C.C46=O.N45.C58 |
48658 | Cc1cc(C)nc(OC(Cc2ccncc2)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][O][C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)nc4n1.c16ccncc1.c15ccccc1.C35C6.O34 |
48659 | Cc1cc(C)nc(OC(Cc2cnccn2)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][O][C][Branch1][#Branch2][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)nc4n1.c15cnccn1.c16ccccc1.C36C5.O34 |
48660 | COc1cc(OC)nc(OC(Cc2cnccn2)c2ccccc2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][=Branch1][O][C][Branch1][#Branch2][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | c14cc5nc6n1.c17cnccn1.c18ccccc1.C38C7.CO4.O5C.O36 |
48661 | COc1ccc(C(Cc2ccncc2)Oc2nc(C)cc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | c14nc(C)cc(C)n1.c15ccc6cc1.c17ccncc1.C36C7.CO5.O34 |
48667 | O=C(c1ccc(-n2cc(-c3cnccn3)cn2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.n16cc7cn1.c17cnccn1.N14CCOCC1.O=C45 |
48668 | Cc1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1 | [C][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1] | Cc1cc2cc5ccc2[nH]1.S4(=O)(=O)c1ccccc1.N45 |
48669 | COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc(S5(=O)=O)cc1.c16ccc2[nH]c(C)cc2c1.CO4.N56 |
48672 | c1cncc(-c2n[nH]cc2-c2ccc3ccccc3n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15ccc2ccccc2n1.c1cncc4c1.c14n[nH]cc15 |
48673 | c1cncc(-c2n[nH]cc2-c2cnc3ccccc3n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cnc2ccccc2n1.c1cncc4c1.c14n[nH]cc15 |
48674 | c1cncc(-c2n[nH]cc2-c2nc3ccccc3o2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c15nc2ccccc2o1.c1cncc4c1.c14n[nH]cc15 |
48675 | CCC(=O)N(c1ccc2[nH]c(C)cc2c1)C1CCN(C(C)=O)CC1 | [C][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] | c15ccc2[nH]c(C)cc2c1.C16CCN4CC1.CCC3=O.N356.C4(C)=O |
48676 | CS(=O)(=O)c1ccc(CC(=O)NCC2CCCO2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][S] | CS(=O)(=O)c1ccc6cc1.C15CCCO1.C6C3=O.N34.C45 |
48678 | CS(=O)(=O)c1ccc(CC(=O)NCc2ccccn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | CS(=O)(=O)c1ccc6cc1.c15ccccn1.C6C3=O.N34.C45 |
48680 | O=C(c1cccs1)N1CCC(c2c[nH]c3ccccc23)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] | c16c[nH]c2ccccc12.N14CCC6CC1.c15cccs1.O=C45 |
48681 | O=C(c1c(F)cccc1F)N1CCC(c2c[nH]c3ccccc23)CC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] | c16c[nH]c2ccccc12.c15c(F)cccc1F.N14CCC6CC1.O=C45 |
48682 | CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] | c15c[nH]c2ccccc12.N14CCC5CC1.CS4(=O)=O |
48683 | COc1ccc(-c2n[nH]cc2-c2cnccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc4cc1.c14n[nH]cc15.c15cnccn1.CO3 |
48686 | CC(=O)N1CCc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c21 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | N14CCc2cccc6c21.c17ccc8cc1.C8(F)(F)F.CC4=O.C57=O.N56 |
48688 | CS(=O)(=O)c1ccc(-n2cc(-c3ccncc3)cn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P] | CS(=O)(=O)c1ccc4cc1.n14cc5cn1.c15ccncc1 |
48689 | CS(=O)(=O)c1ccc(-n2cc(-c3ccncn3)cn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P] | CS(=O)(=O)c1ccc4cc1.n14cc5cn1.c15ccncn1 |
48690 | CS(=O)(=O)c1ccc(-n2cc(-c3cnccn3)cn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][O][C][=C][Ring1][P] | CS(=O)(=O)c1ccc4cc1.n14cc5cn1.c15cnccn1 |
48692 | CS(=O)(=O)c1ccc(-n2cc(-c3nc4ccccc4o3)cn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | CS(=O)(=O)c1ccc5cc1.c16nc2ccccc2o1.n15cc6cn1 |
48694 | COc1cc(OC)nc(N2CCN(C(=O)c3ccccc3N)CC2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] | c15cc6nc7n1.N17CCN4CC1.c18ccccc1N.C48=O.CO5.O6C |
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