ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30631 | Cc1cc(C)c(C)c(OCC(=O)NCc2ccco2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5c(C)c(C)c1.c17ccco1.C4C3=O.O45.N36.C67 |
30632 | Nc1nncn1C(=O)c1ccc(Cl)cc1Cl | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | Nc1nncn1C2=O.c12ccc(Cl)cc1Cl |
30633 | Cc1cc(C)c(C)c(OCC(=O)NCc2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc5c(C)c(C)c1.c17cccnc1.C4C3=O.O45.N36.C67 |
30634 | Cc1ccc(-c2nc(-c3cccnc3)no2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][C] | Cc1ccc4cc1C.c14nc5no1.c15cccnc1 |
30635 | Cc1cc(C)c(C)c(OCC(=O)N2CCOCC2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5c(C)c(C)c1.N13CCOCC1.C4C3=O.O45 |
30636 | Cc1cccc(OCC(=O)Nc2nccs2)c1C | [C][C][=C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][S][C] | Cc1cccc5c1C.c16nccs1.C4C3=O.O45.N36 |
30637 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17cc4c5cc16.c18ccc(F)cc1.C27=O.C38=O.CO2.O4C.O5C.N36 |
30640 | O=C(COc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccc(F)cc1.O=C3C4.O45.N36.C67 |
30641 | Cc1ccc(-c2nc(-c3ccccn3)no2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c15nc4no1.c14ccccn1 |
30642 | CCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1 | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16ccc(C)cc1.CCC3=O.C47=O.O35.N46 |
30643 | NC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | C14CCN3CC1.C3(=O)CC56.c15ccccc1.c16ccccc1.NC4=O |
30644 | Cc1ccc(-c2nc(-c3ccncc3)no2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][C] | Cc1ccc4cc1C.c14nc5no1.c15ccncc1 |
30645 | COC(=O)c1cccc(NC(=O)c2cccs2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C] | c17cccc5c1C.c16cccs1.C37=O.C46=O.CO3.N45 |
30646 | CCOC(=O)N1CCN(C(=O)COc2cccc(C)c2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C] | c18cccc(C)c1C.N14CCN5CC1.C5(=O)C7.C34=O.CC6.O36.O78 |
30647 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.CC3(C)C2=O.c16ccncc1.O34.N25.C56 |
30648 | Cc1ccc(C(=O)Nc2ccccc2CO)cc1C | [C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c14ccccc16.C35=O.N34.C6O |
30649 | CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.CC3(C)C2=O.c15cccnc1.O34.N25 |
30650 | Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | Cc1cc5c(C)c(C)c1.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
30651 | CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c14ccc(Cl)cc1.c15ccc6cc1.CC3(C)C2=O.C6(N)=O.O34.N25 |
30652 | CC(C)C(NC(=O)c1cccs1)C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | CC(C)C4C3=O.C15CCCCC1.c16cccs1.C26=O.N24.N35 |
30653 | CCC(C)NC(=O)COc1ccc(Br)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCC5C.C2(=O)C3.N25.O34 |
30654 | CC(C)C(=O)Nc1ccc(NC(=O)c2cccnc2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17cccnc1.CC(C)C3=O.C47=O.N35.N46 |
30655 | CCCC(=O)Nc1ccccc1NC(=O)c1cccs1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc15.CCCC2=O.c16cccs1.C36=O.N24.N35 |
30656 | Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1ccccc15.c17ccccc18.C4C2=O.C6C(C)C.C38=O.O45.N27.N36 |
30657 | Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC(C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.c15ccccc17.N14CCCC(C)C1.C36=O.C47=O.N35 |
30658 | CCC(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | c16ccc5c7c1.c18ccco1.CCC3=O.C48=O.N36.O5C.N47 |
30660 | COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1Cl.CO3.N56.C57.O4C |
30661 | COc1cc(C(=O)NC(C)Cc2ccccc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c19ccccc1.C7(C)C9.C38=O.CO4.N37.O5C.O6C |
30665 | O=C(CSc1nnc(-c2cccnc2)o1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nnc7o1.c17cccnc1.C15CCCCC1.O=C3C4.S46.N35 |
30666 | Cc1cc(C)nc(NC(=O)CSc2nnnn2-c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)nc5n1.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
30667 | COc1cc(OC)c(NC(=O)C2CCCO2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][S][Cl] | c14cc5c6cc1Cl.C17CCCO1.C37=O.CO4.O5C.N36 |
30668 | COc1cc(-c2nc3ccccc3n2C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c17nc2ccccc2n1C.c14cc7cc5c16.CO4.O5C.O6C |
30669 | O=C(NC1(C(F)(F)F)OCCO1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][C][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C135OCCO1.c14ccccc1.C5(F)(F)F.O=C24.N23 |
30671 | Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.N14CCCC15.N13CCOCC1.C35=O |
30672 | COCc1cccc(NC(=O)c2cncc(Br)c2)c1 | [C][O][C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][S] | c17cccc5c1.c16cncc(Br)c1.C36=O.CO4.C47.N35 |
30673 | CCOc1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c17ccc2ccc(=O)oc2c1.c16ccccc18.C3(=O)C5.CC4.O46.N38.O57 |
30674 | Cc1c(C)c2ccc(OCC(=O)N3CCOCC3)c(C)c2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P][O][C][Ring2][Ring1][=Branch1][=O] | Cc1c(C)c2ccc6c(C)c2oc1=O.N14CCOCC1.C5C4=O.O56 |
30675 | Cc1cc(C)nc(NC(=O)CSc2ccccn2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.c16ccccn1.C3(=O)C4.N35.S46 |
30676 | CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c14ccccc1.c17ccncc1.C3C4=O.CC5.S36 |
30677 | CSc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][N][Ring1][=Branch2][O][C][=C][Ring1][S] | c15nc(C)c3n1O.c14ccc5cc1.C3(C)=O.CS4 |
30678 | Cc1ccc(SCC(=O)Nc2nccs2)cc1 | [C][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | Cc1ccc6cc1.c15nccs1.C4C3=O.S46.N35 |
30679 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c19cc5c6cc17.c18ccccc1F.C29=O.C34=O.CO2.O5C.O6C.N37.N48 |
30681 | Cc1cc(C)nc(NC(=O)CSc2nccc(C)n2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc5n1.c16nccc(C)n1.C3(=O)C4.N35.S46 |
30682 | Cc1nnc(SCC(=O)N2CCc3ccccc3C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | N14CCc2ccccc2C1.Cc1nnc6s1.C5C4=O.S56 |
30683 | COc1ccc(CCNC2=NS(=O)(=O)c3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | N6C1=NS(=O)(=O)c2ccccc21.c14ccc7cc15.C7C6.CO4.O5C |
30684 | CC1=CC(=O)N(CCO)C1c1ccc(Cl)cc1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC1=CC(=O)N2C13.c13ccc(Cl)cc1.C2CO |
30685 | CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | CCC(CC)C3=O.c16ccc7cc1.c15nccs1.C47=O.N36.N45 |
30686 | O=C(CSc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15nc2ccccc2[nH]1.O=C3C4.S45 |
30687 | CC(C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nnc2ccccc21.c15ccccc1.C3(=O)C6.CC4C.N345 |
30688 | Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1ccccc16.c15ccccc17.C4C(C)C.C26=O.C37=O.N25.N34 |
30689 | Cc1cccc(C(=O)OCC(=O)Nc2nccs2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1cccc7c1.c16nccs1.C5C4=O.C37=O.O35.N46 |
30690 | CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17CCN4CC1.c18ccc9cc1.C9(C)(C)C.N356.C37=O.C48=O.CC5.C6C |
30691 | CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(F)cc2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c16cccc7c1.c18ccc(F)cc1.CC(C)C3=O.C47=O.C5C8.N36.N45 |
30692 | CCOC(=O)c1sc(NC(C)=O)c(C(=O)Nc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][C] | c19sc7c%10c1C.c18ccccc1.C39=O.C4(C)=O.C5%10=O.CC6.O36.N47.N58 |
30693 | CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccccc16.c17ccc4cc1.CCCC2=O.C37=O.N25.N36.O4C |
30694 | Cc1ccc(N2CCN(C(=O)N3CCOCC3)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6c(C)c1.N16CCN4CC1.N15CCOCC1.C45=O |
30696 | Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | S3(=O)(=O)c1ccccc1F.Cc1ccc4cc1.N34 |
30697 | Cc1nc(NCc2ccccc2)[nH]c(=O)c1Br | [C][C][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][#C][Br] | Cc1nc4[nH]c(=O)c1Br.c15ccccc1.N34.C35 |
30699 | Cc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C] | Cc1cc2ncn(C4=O)c2cc1C.N14CCC(C)CC1 |
30700 | Cc1ccc(CC(=O)Nc2nnc(C(F)(F)F)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c14nnc5s1.C6C3=O.C5(F)(F)F.N34 |
30701 | COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c18ccc6cc1.c19cccc7c1.C5(=O)C(C)C.C38=O.C49=O.CO3.N46.N57 |
30702 | COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][Cl] | c14ccc6cc1Cl.c15ccccc17.C36=O.C7(N)=O.CO4.N35 |
30704 | COc1cccc(S(=O)(=O)NCc2ccco2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | c13cccc(S5(=O)=O)c1.c16ccco1.CO3.N45.C46 |
30705 | Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | n16c(=O)oc2ccccc21.Cc1ccc5cc1.C4(=O)C6.N45 |
30706 | Cc1cc(S(N)(=O)=O)ccc1NC(=O)C(C)c1ccccc1 | [C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(S(N)(=O)=O)ccc13.c14ccccc1.C2(=O)C4C.N23 |
30707 | COc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c17ccc2ccc(=O)oc2c1.c16ccc8cc1.C4(=O)C5.CO6.N48.O57 |
30708 | COc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16nc2c3cnn(C)c3ncn2n1.c15ccc6cc1.CO5 |
30709 | O=C(c1cccc(F)c1F)N1CCc2ccccc2C1 | [O][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14cccc(F)c1F.O=C34 |
30710 | CS(=O)(=O)c1ccc(N2CCCCC2)c(S(C)(=O)=O)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][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][S] | CS(=O)(=O)c1ccc3c(S(C)(=O)=O)c1.N13CCCCC1 |
30711 | COc1ccccc1-c1c(C)oc2cc(OCC(N)=O)ccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][C][Ring1][S][=O] | c16c(C)oc2cc5ccc2c1=O.c14ccccc16.C3C(N)=O.CO4.O35 |
30712 | Cc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][P] | Cc1cccc(S3(=O)=O)c1.c14ccccc1F.N34 |
30713 | CS(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.c15ccco1.CS4(=O)=O.N234.C25.C36 |
30714 | CCOc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1cccc(F)c1.c14ccc6cc1.CC3.O34.N56 |
30715 | CC(Sc1ncn(-c2ccccc2)n1)C(=O)Nc1ccccc1 | [C][C][Branch2][Ring1][Ring1][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ncn6n1.c16ccccc1.c15ccccc1.CC4C3=O.S47.N35 |
30716 | CCNc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring2][Ring1][Ring2] | c17nc3nc8n1.c14ccc(=O)n(C)n1.C6(C)(C)C.CC5.N57.N68.O34 |
30717 | COc1ccc(C(C)=O)c(OC(=O)c2ccco2)c1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P] | c14ccc7c5c1.c16ccco1.C7(C)=O.C36=O.CO4.O35 |
30718 | CCOc1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | S6(=O)(=O)c1cccc5c1.c14ccc7cc1.CC3.O34.N67.O5C |
30720 | CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16ccc(F)cc1.CC(C)C3=O.C47=O.N35.N46 |
30721 | COc1ccccc1NS(=O)(=O)c1cccc(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1cccc(C)c1.c12ccccc14.CO2.N34 |
30723 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=S4(=O)c1cccc(Cl)c1.c15ccc2c(c1)OCO2.N34.C35 |
30724 | O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring2][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c17ncn6n1.c16ccccc1.O=C3C4.S47.N35 |
30725 | Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | S6(=O)(=O)c1ccccc1.Cc1ccc7cc1.C3(=O)C5.N56C.C47.N34 |
30726 | CC1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1] | c14ncnc2c1cnn25.CC1CCN4CC1.c15ccc(Cl)cc1 |
30727 | O=C(Nc1ccccc1N1CCCC1)c1ccc(F)cc1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccccc14.c15ccc(F)cc1.N14CCCC1.O=C25.N23 |
30729 | O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2ncnn12 | [O][=C][C][=Branch1][S][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][C][=N][C][=N][N][Ring1][P][Ring1][Branch1] | O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2ncnn12 |
30730 | O=S(=O)(NCc1ccco1)c1ccc(Oc2ccccc2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | O=S6(=O)c1ccc3cc1.c14ccccc1.c17ccco1.N56.C57.O34 |
30731 | CCN(CC)C(=O)c1cccc(-c2ccc(OC)cc2)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][=C] | c17cccc8c1.c18ccc4cc1.N356.C37=O.CC5.C6C.O4C |
30732 | C=CCN(CC=C)C(=O)c1cccc(NC(=O)C(C)C)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c17cccc6c1.C3(=O)C(C)C.C=CC4.N245.C5C=C.C27=O.N36 |
30733 | COc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | N17C(=O)c2ccccc2S1(=O)=O.c15cccc6c1.C4(=O)C7.CO5.N46 |
30734 | COCC(C)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c18cccc7c1.c19ccccc1.C5C6C.C38=O.C49=O.CO5.N36.N47 |
30736 | Cc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c14ccc5cc1.C6C3=O.C5(N)=O.N34 |
30737 | CCc1c(C)c2ccc(OCC(=O)OC)c(C)c2oc1=O | [C][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][=C][Ring1][=N][O][C][Ring2][Ring1][C][=O] | c16c(C)c2ccc5c(C)c2oc1=O.C4C3=O.CC6.O45.O3C |
30738 | COC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C] | n15nc(C)c(Cl)c1C.c14cccc6c1.C34=O.CO3.C56 |
30739 | CC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][S] | c16nnc5s1.c17ccccn1.CC(C)C6.C3(=O)C4.N35.S47 |
30740 | CCc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O | [C][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | c16c(C)c2ccc5c(C)c2oc1=O.C4C3=O.N3(C)C.CC6.O45 |
30742 | Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N] | c16nc2c3cnn(C)c3ncn2n1.Cc1ccccc15.O45.C46 |
30743 | COCC(C)NC(=O)c1sc2ccccc2c1Cl | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c16sc2ccccc2c1Cl.C4C5C.C36=O.CO4.N35 |
30744 | CCN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccco1 |
30745 | CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.N12CCCCC1.C3C2=O.CN34 |
30746 | COC(=O)c1ccc(COc2ccc(F)cc2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C] | c15ccc(F)cc1.c16ccc7o1.C36=O.CO3.C47.O45 |
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