ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1927584 | O=C(NC1CCN(c2nccs2)CC1)c1cnccn1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][=C][N][=C][C][=N][Ring1][=Branch1] | C15CCN4CC1.c16cnccn1.c14nccs1.O=C36.N35 |
1927585 | Cc1cc(C(=O)NC2CCN(c3nccs3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][=N][O][Ring2][Ring1][Ring1] | C16CCN5CC1.Cc1cc7no1.c15nccs1.C47=O.N46 |
1927586 | O=C(Cn1cccn1)NC1CCN(c2nccs2)CC1 | [O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | C15CCN4CC1.n16cccn1.c14nccs1.O=C3C6.N35 |
1927587 | O=C(NC1CCN(c2nccs2)CC1)c1ccc2cc[nH]c2c1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2cc[nH]c2c1.C15CCN4CC1.c14nccs1.O=C36.N35 |
1927588 | O=C(C1CC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][S][Ring1][#Branch2][C][C][Ring1][S] | N14CCN5CC1.c15nc7cs1.c17ccsc1.O=C46.C16CC1 |
1927589 | COc1cccc(C(=O)N2CC(N3CCCC3=O)C3OCCCC32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][O][C][C][C][C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][#Branch1] | N14CC7C2OCCCC21.c15cccc6c1.N17CCCC1=O.C46=O.CO5 |
1927591 | CC(C)CN1C(=O)C2(CCN(Cc3ccoc3)C2)c2ccccc21 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][P][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CC(C)CN1C(=O)C2(CCN4C2)c2ccccc21.c15ccoc1.C45 |
1927592 | O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1ccoc1)C2 | [O][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][O] | O=C1N(C4)c2ccccc2C12CCN3C2.c15ccoc1.C14CC1.C35 |
1927593 | O=C1COC2CN(S(=O)(=O)c3ccccc3F)CC2N1 | [O][=C][C][O][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1COC2CN4CC2N1.S4(=O)(=O)c1ccccc1F |
1927594 | CN1C(=O)COC2CN(C(=O)CCc3ccccc3)CC21 | [C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][Ring2][Ring1][Ring2] | CN1C(=O)COC2CN4CC21.c15ccccc1.C4(=O)CC5 |
1927595 | COCC(=O)N1CC2c3ccccc3C(N3CCOCC3)C2C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N14CC2c3ccccc3C(N3CCOCC3)C2C1.C5C4=O.CO5 |
1927596 | CNC(=O)c1cc2c(nc1N(C)C)CCN(c1ncc(C)cn1)CC2 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | c16cc2c(nc14)CCN5CC2.c15ncc(C)cn1.C36=O.N4(C)C.CN3 |
1927597 | COCC1CN(Cc2ccncc2)Cc2nn(C)cc21 | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Ring1][P] | C3C1CN4Cc2nn(C)cc21.c15ccncc1.CO3.C45 |
1927598 | Cc1nc(C)n(CC2CCC3(COCCN(c4ncccn4)C3)O2)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][O][Ring1][P][N][=Ring2][Ring1][Branch2] | C17CCC2(COCCN5C2)O1.Cc1nc(C)n6n1.c15ncccn1.C67 |
1927599 | CS(=O)(=O)N1CCn2cc(Cn3cncn3)nc2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2cc6nc2C1.n15cncn1.CS4(=O)=O.C56 |
1927600 | COCC1CN(Cc2sccc2C)Cc2cn(C)nc21 | [C][O][C][C][C][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][Ring1][P] | C3C1CN4Cc2cn(C)nc21.c15sccc1C.CO3.C45 |
1927601 | Cc1ccc(N2CCC3(CC2)CC(c2ccccc2)C(=O)N3)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][N][=N][Ring2][Ring1][#Branch1] | N14CCC2(CC1)CC5C(=O)N2.Cc1ccc4nn1.c15ccccc1 |
1927602 | CNC(=O)C1CC2CN(S(=O)(=O)c3cccnc3)CC1O2 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][O][Ring1][#C] | C16CC2CN5CC1O2.S5(=O)(=O)c1cccnc1.C46=O.CN4 |
1927603 | C1CCC(N2CCOC3C(OCC4CCOCC4)CCC32)CC1 | [C][C][C][C][Branch2][Ring1][#Branch2][N][C][C][O][C][C][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.C1CCC7CC1.C18CCOCC1.O56.C58 |
1927604 | COc1cc(=O)n(CC(=O)Nc2cc(C)on2)nc1-c1ccccc1 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(=O)n6nc17.c15cc(C)on1.c17ccccc1.C6C3=O.CO4.N35 |
1927605 | COc1cc(=O)n(CC(=O)Nc2ccon2)nc1-c1ccccc1 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(=O)n6nc17.c17ccccc1.c15ccon1.C6C3=O.CO4.N35 |
1927606 | COc1cc(=O)n(CC(=O)N2CCCC2)nc1-c1ccc(Cl)cc1 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cc(=O)n5nc16.c16ccc(Cl)cc1.N13CCCC1.C5C3=O.CO4 |
1927609 | CC(C)c1cc(C(=O)N2CCCCC2C)nc(N(C)C)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][C] | c16cc5nc4n1.N13CCCCC1C.CC6C.C35=O.N4(C)C |
1927610 | CC(C)c1cc(C(=O)NCc2cccnc2)nc(N(C)C)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | c17cc6nc5n1.c18cccnc1.CC7C.C36=O.N5(C)C.N34.C48 |
1927611 | CC1CCCN(C(=O)c2cc(C(C)C)nc(N(C)C)n2)C1 | [C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N][C][Ring2][Ring1][Ring2] | c15cc6nc4n1.CC1CCCN3C1.C35=O.C6(C)C.N4(C)C |
1927614 | CC(C)c1cc(C(=O)N2CCCCC2)nc(N(C)C)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][P] | c16cc5nc4n1.N13CCCCC1.CC6C.C35=O.N4(C)C |
1927615 | Cc1ccnc(NC(=O)c2cc(C(C)C)nc(N(C)C)n2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N][=C][Ring2][Ring1][Branch1] | c16cc7nc5n1.Cc1ccnc4c1.C36=O.C7(C)C.N5(C)C.N34 |
1927617 | Cc1cc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C][N][Branch1][C][C][N][=Ring2][Ring1][#Branch1] | c17cc8nc6n1.Cc1cc5n(C)n1.N16CCCC1.C47=O.C8(C)C.N45 |
1927618 | Cc1nc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)sc1C | [C][C][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C][S][C][=Ring2][Ring1][=Branch1][C] | c17cc8nc6n1.Cc1nc5sc1C.N16CCCC1.C47=O.C8(C)C.N45 |
1927619 | Cc1csc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)n1 | [C][C][=C][S][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c17cc8nc6n1.Cc1csc5n1.N16CCCC1.C47=O.C8(C)C.N45 |
1927620 | Cc1cnc(NC(=O)c2cc(C(C)C)nc(N3CCCC3)n2)s1 | [C][C][=C][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=C][S][Ring2][Ring1][=Branch1] | c17cc8nc6n1.Cc1cnc5s1.N16CCCC1.C47=O.C8(C)C.N45 |
1927621 | Cn1nnnc1COc1ccc(C(=O)N2CCCC2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] | c15ccc6cc1.Cn1nnnc17.N13CCCC1.C36=O.C47.O45 |
1927622 | CCn1ccc(NC(=O)c2cccc(OCc3nnnn3C)c2)n1 | [C][C][N][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c18cccc6c1.n19ccc7n1.c1%10nnnn1C.C48=O.CC9.N47.O56.C5%10 |
1927623 | Cn1nnnc1COc1cccc(C(=O)NCCN2CCOCC2)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c15cccc8c1.Cn1nnnc19.N17CCOCC1.C38=O.C6C7.C49.O45.N36 |
1927625 | Cn1nnnc1COc1cccc(C(=O)N2CCCCCC2)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C] | c15cccc6c1.N13CCCCCC1.Cn1nnnc17.C36=O.C47.O45 |
1927627 | Cn1nnnc1COc1ccccc1C(=O)Nc1nccs1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccccc16.Cn1nnnc17.c15nccs1.C26=O.C37.O34.N25 |
1927628 | Cc1csc(NC(=O)c2ccccc2OCc2nnnn2C)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=N][N][Ring1][Branch1][C][=N][Ring2][Ring1][=Branch1] | c17ccccc15.Cc1csc6n1.c18nnnn1C.C37=O.N36.O45.C48 |
1927629 | Cc1cnc(NC(=O)c2ccccc2OCc2nnnn2C)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=N][N][Ring1][Branch1][C][S][Ring2][Ring1][=Branch1] | c17ccccc15.Cc1cnc6s1.c18nnnn1C.C37=O.N36.O45.C48 |
1927630 | Cn1nnnc1COc1ccc(CC(=O)N2CCOCC2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.Cn1nnnc16.N13CCOCC1.C7C3=O.C46.O45 |
1927631 | Cn1nnnc1COc1ccc(CC(=O)Nc2nccs2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc8cc1.Cn1nnnc17.c16nccs1.C8C3=O.C47.O45.N36 |
1927632 | Cc1csc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][=N][Ring2][Ring1][#Branch1] | c19ccc6cc1.Cc1csc7n1.c18nnnn1C.C4(=O)C9.N47.O56.C58 |
1927633 | Cc1cnc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][S][Ring2][Ring1][#Branch1] | c19ccc6cc1.Cc1cnc7s1.c18nnnn1C.C4(=O)C9.N47.O56.C58 |
1927634 | Cc1cc(NC(=O)Cc2ccc(OCc3nnnn3C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][=N][O][Ring2][Ring1][#Branch1] | c19ccc6cc1.Cc1cc7no1.c18nnnn1C.C4(=O)C9.N47.O56.C58 |
1927635 | Cn1nnnc1COc1ccc(CC(=O)Nc2ccon2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][#C] | c15ccc8cc1.Cn1nnnc17.c16ccon1.C8C3=O.C47.O45.N36 |
1927636 | CCn1cc(N2CC(C(=O)NC3CCCCC3)CC2=O)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=N][Ring2][Ring1][Ring2] | N18CC6CC1=O.n17cc8cn1.C15CCCCC1.C46=O.CC7.N45 |
1927637 | CC(C)n1cc(N2CC(C(=O)NC3CCC(O)CC3)CC2=O)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][Ring1][#C][=O][C][=N][Ring2][Ring1][Branch1] | N18CC6CC1=O.C15CCC(O)CC1.n17cc8cn1.CC7C.C46=O.N45 |
1927638 | Cc1cn2c(S(=O)(=O)NC3CCCC3)c(C(C)C)nc2s1 | [C][C][=C][N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1cn2c(S4(=O)=O)c6nc2s1.C15CCCC1.C6(C)C.N45 |
1927639 | Cc1cn2c(S(=O)(=O)N3CCOCC3)c(C(C)C)nc2s1 | [C][C][=C][N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1cn2c(S4(=O)=O)c5nc2s1.N14CCOCC1.C5(C)C |
1927642 | Cc1nc(C)c(-c2nc(-c3ccc(=O)n(C)c3)no2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][=N][O][Ring1][=N][S][Ring2][Ring1][Ring1] | c15ccc(=O)n(C)c1.Cc1nc(C)c4s1.c14nc5no1 |
1927643 | CC(C)C(NC(=O)c1ccco1)c1nc(-c2ccc(=O)n(C)c2)no1 | [C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][=N][O][Ring1][=N] | c17ccc(=O)n(C)c1.c16nc7no1.CC(C)C46.c15ccco1.C35=O.N34 |
1927650 | COc1ccc(C2(c3nc(-c4ccc(=O)n(C)c4)no3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][=N][O][Ring1][=N][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c17ccc(=O)n(C)c1.c15ccc8cc1.c16nc7no1.C168CC1.CO5 |
1927654 | CCC(=O)NC(c1ccccc1)c1nnc(N2CCCCC2)o1 | [C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | c17ccccc1.c16nnc5o1.N15CCCCC1.CCC3=O.C467.N34 |
1927655 | CC(C)C(=O)NC(c1ccccc1)c1nnc(N2CCCCC2)o1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | c17ccccc1.c16nnc5o1.N15CCCCC1.CC(C)C3=O.C467.N34 |
1927656 | O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCCCC1 | [O][=C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring1][P][N][C][C][C][C][C][Ring1][=Branch1] | C16CCN5CC1.c15nnc7o1.c17ccccc1.N14CCCCC1.O=C46 |
1927657 | O=C(c1cn2c(n1)COCC2)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][S][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | c14cn2c(n1)COCC2.N13CCC5CC1.c16ccccc1.O=C34.C56 |
1927658 | CC1(C(=O)NCc2ccccc2)Oc2cccnc2NC1=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Ring2][Ring1][Ring2][=O] | CC15Oc2cccnc2NC1=O.c16ccccc1.C35=O.N34.C46 |
1927659 | CC1(C(=O)NCc2ccccc2F)Oc2cccnc2NC1=O | [C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Ring2][Ring1][Branch1][=O] | CC15Oc2cccnc2NC1=O.c16ccccc1F.C35=O.N34.C46 |
1927660 | Cc1cccc(CNC(=O)C2(C)Oc3cccnc3NC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] | C16(C)Oc2cccnc2NC1=O.Cc1cccc7c1.C46=O.C57.N45 |
1927661 | CCCN1CCn2cc(S(=O)(=O)NC3CCCCC3)cc2C1=O | [C][C][C][N][C][C][N][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | N16CCn2cc(S4(=O)=O)cc2C1=O.C15CCCCC1.CCC6.N45 |
1927662 | CCCc1nc2cccnc2n1C1CCN(S(=O)(=O)CCC)C1 | [C][C][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][O] | c14nc2cccnc2n15.C15CCN3C1.S3(=O)(=O)CCC.CCC4 |
1927663 | CCCS(=O)(=O)N1CCC(n2c(C)nc3cccnc32)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][Branch1][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][#C] | n15c(C)nc2cccnc21.CCCS4(=O)=O.N14CCC5C1 |
1927664 | O=C(NC1CCN(c2nnc3ccccn23)CC1)c1ccsc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][C][=C][S][C][=Ring1][Branch1] | c15nnc2ccccn12.C16CCN5CC1.c17ccsc1.O=C47.N46 |
1927665 | CCn1c(C2CCN(C(=O)c3ccncc3)C2)nc2cccnc21 | [C][C][N][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n16c7nc2cccnc21.C17CCN4C1.c15ccncc1.C45=O.CC6 |
1927667 | N#Cc1cccnc1OC1CCN(C(=O)NCc2cccs2)CC1 | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | N#Cc1cccnc15.C16CCN3CC1.c18cccs1.C34=O.O56.N47.C78 |
1927668 | CSc1ccc(C(O)CNC(=O)c2cc3ccccc3o2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c16cc2ccccc2o1.c18ccc7cc1.C7(O)C5.C46=O.CS8.N45 |
1927669 | CSc1ccc(C(O)CNC(=O)c2nc3ccccc3s2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2s1.c18ccc7cc1.C7(O)C5.C46=O.CS8.N45 |
1927670 | CSc1ccc(C(O)CNC(=O)C2COc3ccccc3O2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | C16COc2ccccc2O1.c18ccc7cc1.C7(O)C5.C46=O.CS8.N45 |
1927671 | CSc1ccc(C(O)CNC(=O)c2cc(C3CC3)on2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16cc9on1.C7(O)C5.C46=O.C19CC1.CS8.N45 |
1927672 | CSc1ccc(C(O)CNC(=O)Nc2ccccc2C)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16ccccc1C.C7(O)C5.C34=O.CS8.N35.N46 |
1927673 | CSc1ccc(C(O)CNC(=O)Nc2cccc(C)c2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16cccc(C)c1.C7(O)C5.C34=O.CS8.N35.N46 |
1927674 | CSc1ccc(C(O)CNC(=O)Nc2ccc(F)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16ccc(F)cc1.C7(O)C5.C34=O.CS8.N35.N46 |
1927675 | COc1cccc(NC(=O)NCC(O)c2ccc(SC)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c15cccc7c1.c18ccc9cc1.C6C8O.C34=O.CO5.N37.N46.S9C |
1927676 | CSc1ccc(C(O)CNC(=O)Nc2ccccc2Cl)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16ccccc1Cl.C7(O)C5.C34=O.CS8.N35.N46 |
1927678 | Cc1ccc(NC(=O)Cc2ccsc2)cc1N1CCCCC1=O | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1][=O] | Cc1ccc4cc16.N16CCCCC1=O.c15ccsc1.C3(=O)C5.N34 |
1927679 | O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nc7cc18.c15ccccc1.C7(F)(F)F.O=C23.C4C6.C18CC1.N24.N35 |
1927680 | Cc1oncc1C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | n15nc6cc17.Cc1oncc14.C6(F)(F)F.C24=O.C3C5.C17CC1.N23 |
1927681 | Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc6c(C)o1.n17ccc8n1.c18cccs1.C46=O.C5C7.N45 |
1927682 | O=C(NCCn1ccc(-c2cccs2)n1)NCc1cccs1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1] | n17ccc9n1.c19cccs1.c18cccs1.O=C34.C5C7.N35.N46.C68 |
1927683 | O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ncccn1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1.n14ccnc16.c16ncccn1.O=S3(=O)C5.C2C4.N23 |
1927684 | O=C(NCc1nn(C2CCCC2)c2c1CCCC2)C1CC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c16nn7c2c1CCCC2.C17CCCC1.O=C35.C15CC1.N34.C46 |
1927685 | Cn1nc(CNC(=O)c2cnc3ccccc3n2)c2c1CCOC2 | [C][N][N][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][C][O][C][Ring1][=Branch1] | Cn1nc7c2c1CCOC2.c16cnc2ccccc2n1.C46=O.C57.N45 |
1927686 | Cn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2c1CCOC2 | [C][N][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][C][O][C][Ring1][=Branch1] | c16cc(=O)c2ccccc2o1.Cn1nc7c2c1CCOC2.C46=O.C57.N45 |
1927687 | COc1nn(C)cc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 | [C][O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][=N] | c14nn(C)cc16.c17cc9n8n1.C18CCCC1.C36=O.C19CC1.CO4.N35.C57 |
1927688 | O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)C1CC=CCC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][=N][C][C][C][=C][C][C][Ring1][=Branch1] | c16cc8n7n1.C15CC=CCC1.C17CCCC1.O=C35.C18CC1.N34.C46 |
1927689 | Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccco2)CC1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | Cn1cnnc1S(=O)(=O)C1CCN3CC1.c14ccco1.C34=O |
1927690 | Cc1cc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | N14CC(S(=O)(=O)c2ccc(F)cc2)C1.Cc1cc5c(C)o1.C45=O |
1927691 | O=C(c1ccoc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C] | N13CC(S(=O)(=O)c2ccc(F)cc2)C1.c14ccoc1.O=C34 |
1927692 | O=C(NCc1cccc(Oc2ccccn2)c1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c18cccc5c1.c14ccccn1.c17ccccn1.O=C37.N36.C68.O45 |
1927693 | O=S(=O)(NCc1cccc(Oc2ccccn2)c1)C1CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][C][C][Ring1][Ring1] | c17cccc4c1.O=S6(=O)C1CC1.c13ccccn1.N56.C57.O34 |
1927694 | O=C(Nc1cnn(C2CCOCC2)c1)C1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][C][C][C][C][C][Ring1][=Branch1] | c14cnn6c1.C16CCOCC1.C15CCCCC1.O=C35.N34 |
1927695 | O=C(CCc1ccccc1)Nc1cnn(C2CCOCC2)c1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O] | c15ccccc1.c14cnn6c1.C16CCOCC1.O=C3CC5.N34 |
1927696 | O=C(Nc1cnn(C2CCOCC2)c1)Nc1cccs1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][N][C][=C][C][=C][S][Ring1][Branch1] | c16cnn7c1.C17CCOCC1.c15cccs1.O=C34.N36.N45 |
1927697 | COC(CNC(=O)c1ccco1)c1ccc(C)s1 | [C][O][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c16ccc(C)s1.c15ccco1.C36C4.C25=O.CO3.N24 |
1927698 | COC(CNC(=O)C1CCCC1)c1ccc(C)s1 | [C][O][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c16ccc(C)s1.C15CCCC1.C36C4.C25=O.CO3.N24 |
1927699 | COC(CNC(=O)c1ccccc1)c1ccc(C)s1 | [C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccccc1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1927700 | COC(CNC(=O)c1ccccc1F)c1ccc(C)s1 | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccccc1F.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1927701 | COC(CNC(=O)c1cc(C)oc1C)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cc(C)oc1C.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1927702 | COC(CNC(=O)c1ccccc1Cl)c1ccc(C)s1 | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccccc1Cl.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1927703 | COC(CNC(=O)c1cccc(N(C)C)c1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c16cccc5c1.c17ccc(C)s1.C37C4.C26=O.N5(C)C.CO3.N24 |
1927704 | COC(=O)c1ccc(C(=O)NCC(OC)c2ccc(C)s2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c19ccc(C)s1.C6C59.C37=O.C48=O.CO3.N46.O5C |
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