ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
2689 | COc1cccc(C=C2OC(=O)c3c2cc(C)[nH]c3=O)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1][O][C] | C1=6OC(=O)c2c1cc(C)[nH]c2=O.c14cccc(C=6)c15.CO4.O5C |
2691 | O=C(Oc1ccccc1)n1c(=O)oc2ccc(Cl)cc21 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O] | O=C3n1c(=O)oc2ccc(Cl)cc21.c14ccccc1.O34 |
2692 | CCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1] | C3(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.CC4.O34 |
2693 | COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | C16Nc2ccccc2C(=O)N15.c14ccc6cc1.c15ccccn1.CO4 |
2694 | Cc1ccc(Nc2nc3nonc3n3c(CC(N)=O)nnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | c14nc2nonc2n2c6nnc12.Cc1ccc5cc1.C6C(N)=O.N45 |
2695 | COC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)OC | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=Branch1][C][=O][O][C] | n15c(=O)n7c(=O)n16.c17ccccc1.C3(=O)C5.C6C4=O.CO3.O4C |
2696 | COc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | c15cn2nc(C)c(C)nc2n1.c14ccc5cc1.CO4 |
2697 | Cc1cc(F)c(F)cc1C(=O)n1nnc2ccccc21 | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C3(=O)n1nnc2ccccc21.Cc1cc(F)c(F)cc13 |
2698 | Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc21 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c6nc2ccccc21.c15ccccc1.C4C3=O.S46.N35 |
2699 | Nc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=C][Ring2][Ring1][C] | c15cc(F)c(F)cc1Cl.Nc1cccc4c1.C35=O.N34 |
2701 | O=C(CSc1nnnn1-c1ccccc1)Nc1ncccn1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16nnnn15.c15ccccc1.c14ncccn1.O=C2C3.S36.N24 |
2702 | O=C(NCc1ccco1)c1scc2c1CCCC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][S][C][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15scc2c1CCCC2.c16ccco1.O=C35.N34.C46 |
2703 | CN(C)C(=O)NCCn1cnc2c1c(=O)n(C)c(=O)n2C | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.CN3C.C34=O.C5C6.N45 |
2704 | COc1cc2ccccc2cc1-c1nc(-c2nonc2N)no1 | [C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O] | c13cc2ccccc2cc15.c15nc4no1.c14nonc1N.CO3 |
2705 | CN1C=C(c2ccc3ccccc3n2)C(C#N)c2ccccc21 | [C][N][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CN1C=C(c2ccc3ccccc3n2)C(C#N)c2ccccc21 |
2707 | CCOC(=O)c1cnn(-c2ccc(OC(F)(F)Cl)cc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][Cl][C][=C][Ring1][O][C][=Ring1][S][N] | c16cnn7c1N.c17ccc5cc1.O5C(F)(F)Cl.C36=O.CC4.O34 |
2708 | Cc1ccccc1OCC(=O)n1cnc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C3C(=O)n1cnc2ccccc21.Cc1ccccc14.O34 |
2709 | CCN(CC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O] | S5(=O)(=O)c1nc2nc(C)cc(C)n2n1.N345.CC3.C4C |
2710 | COCc1cc(C)nc2sc3c(c12)NC(c1ccco1)NC3=O | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][Ring1][N][=O] | c15cc(C)nc2sc3c(c12)NC6NC3=O.c16ccco1.CO4.C45 |
2711 | Cc1cc(=O)sc2c1c(C)nn2-c1ccccc1 | [C][C][=C][C][=Branch1][C][=O][S][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)sc2c1c(C)nn23.c13ccccc1 |
2712 | Fc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][N][=C][C][=Branch1][Branch2][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c15cn2nc3c(nc2n1)CCCC3.Fc1ccc5cc1 |
2713 | CC(C)c1cc(C(F)(F)F)nc(SC2CC(=O)C3OCC2O3)n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][P][S][C][C][C][=Branch1][C][=O][C][O][C][C][Ring1][Branch2][O][Ring1][Branch1][=N][Ring2][Ring1][Ring2] | C17CC(=O)C2OCC1O2.c14cc5nc6n1.C5(F)(F)F.CC4C.S67 |
2715 | COc1nc(N2CCCCC2C)nc(-n2nnc(C(C)=O)c2C)n1 | [C][O][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][S][N][N][=N][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][Branch2][C][=N][Ring2][Ring1][=Branch1] | c13nc4nc6n1.N14CCCCC1C.n16nnc5c1C.C5(C)=O.CO3 |
2716 | COc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O] | C4(O)(C(F)(F)F)C(F)(F)F.c12cc4cc3c1O.CO2.O3C |
2717 | Clc1ccc(-c2csc3c4ncnc-4ncn23)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][=C][N][=C][N][=C][Ring1][Branch1][N][=C][N][Ring1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15csc2c3ncnc-3ncn12.Clc1ccc5cc1 |
2719 | Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1 | [N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c5cnn16.c14ccccc1.c16ccccc1.C35=O.N34 |
2720 | COc1ccc(CCn2c(N)cc(=O)[nH]c2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring1][P][O][C] | n15c(N)cc(=O)[nH]c1=O.c13ccc6cc14.C6C5.CO3.O4C |
2722 | Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=N][O][Ring1][P] | c15cc(F)c(F)cc1Cl.Cc1cc4no1.C35=O.N34 |
2723 | Cc1c(Cl)cccc1NC(=O)C1CC(=O)N(C(C)C)C1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2] | Cc1c3cccc1Cl.C14CC(=O)N5C1.C24=O.C5(C)C.N23 |
2724 | NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 | [N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][Cl][N][Ring1][#C][N][=Ring2][Ring1][C] | c14cc2nc6cc5n2n1.c16ccco1.C5(F)(F)Cl.NC4=O |
2725 | COCc1cc(C)nc2sc3c(=O)n(-c4ccccc4)nnc3c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring1][=N][C][Ring2][Ring1][Branch1][=Ring1][S] | c16cc(C)nc2sc3c(=O)n7nnc3c12.c17ccccc1.CO5.C56 |
2726 | CCNc1nc(N2CCOCC2)nc(-n2nnc(C(C)=O)c2C)n1 | [C][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][S][N][N][=N][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Branch1] | c14nc5nc7n1.n17nnc6c1C.N15CCOCC1.C6(C)=O.CC3.N34 |
2727 | COc1cccc(-n2c(C)c3c(C)nnc(C)c3c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | n15c(C)c2c(C)nnc(C)c2c1C.c14cccc5c1.CO4 |
2728 | Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc(S4(=O)=O)cc1.c15ccncc1.N34.C35 |
2729 | CCOC(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][O][Ring2][Ring1][Ring2] | c19cc2ccccc2oc1=O.c18ccc%10o1.C48=O.C59=O.CC6.O46.C7%10.N57 |
2730 | Nc1nc(CC(=O)NC2(C(=O)Nc3ccccc3)CCCCC2)n[nH]1 | [N][C][=N][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=N][NH1][Ring2][Ring1][Branch2] | C168CCCCC1.Nc1nc9n[nH]1.c17ccccc1.C9C4=O.C58=O.N46.N57 |
2731 | Cn1c(CS(=O)(=O)c2ccccc2)c(C#N)c2ccccc21 | [C][N][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c3c(C#N)c2ccccc21.C3S(=O)(=O)c1ccccc1 |
2732 | CCOC(=O)Nc1cc(NC(=O)OCC)c(C)nc1C | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][N][=C][Ring1][=N][C] | c18cc9c(C)nc1C.C24=O.C35=O.CC6.O26.N48.N59.O37.C7C |
2733 | COc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c16ccc(F)cc1.c18nnn7n1.C7C4=O.CO5.N46 |
2734 | C=C(C)c1cccc(C(C)(C)NC(=O)NCC2COCCO2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | C=C(C)c1cccc8c1.C17COCCO1.C58(C)C.C34=O.N35.N46.C67 |
2735 | Nn1cnn2c(SCc3cccc(C(F)(F)F)c3)nnc12 | [N][N][C][=N][N][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][=C][Ring2][Ring1][Ring2][Ring1][P] | Nn1cnn2c7nnc12.c15cccc6c1.C6(F)(F)F.S47.C45 |
2736 | Nn1cnn2c(SCc3ccc(Cl)cc3Cl)nnc12 | [N][N][C][=N][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][=C][Ring2][Ring1][C][Ring1][#C] | Nn1cnn2c6nnc12.c15ccc(Cl)cc1Cl.S46.C45 |
2738 | Cn1nnc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1 | [C][N][N][=N][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | c16nc4nc5n1.Cn1nnc6n1.N14CCOCC1.N15CCOCC1 |
2740 | Cc1cc(C)c(C(N)=O)c(Nc2ccc(F)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)c5c3n1.c14ccc(F)cc1.C5(N)=O.N34 |
2741 | O=C(Nc1cccc(Cl)c1)c1scc2c1OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | c15scc2c1OCCO2.c14cccc(Cl)c1.O=C35.N34 |
2743 | CNC(=O)C(C)NS(=O)(=O)c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C2(=O)C3C.CN2.N34 |
2744 | COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C2(=O)C3.CO2.N34 |
2745 | COc1ccccc1CNC(=O)COc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc17.c15ccccc1.C2(=O)C3.CO4.C67.N26.O35 |
2746 | COC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | c14cc(Cl)c(Cl)cc1Cl.C2(=O)CCC3=O.CO2.N34 |
2747 | COc1cccc(CSc2nc(N)cc(N)n2)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring1][S] | c16nc(N)cc(N)n1.c13cccc5c1.CO3.C45.S46 |
2749 | COc1ccc(C(=O)NC(C)(C)C)cc1Br | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][Br] | c13ccc5cc1Br.C4(C)(C)C.C25=O.CO3.N24 |
2751 | O=C(Nc1nccs1)c1ccc(Br)cc1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c13nccs1.O=C24.N23 |
2752 | O=C(c1ccc(C(=O)N2CCCCC2)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc6cc1.N14CCCCC1.N13CCCCC1.O=C35.C46=O |
2754 | CCC(=O)n1c(SCC(N)=O)nc2ccccc21 | [C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | CCC(=O)n1c4nc2ccccc21.C3C(N)=O.S34 |
2757 | COC(=O)CCc1sc(C(=O)OC)cc1NC(C)=O | [C][O][C][=Branch1][C][=O][C][C][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=Ring1][=Branch2][N][C][Branch1][C][C][=O] | c17sc6cc15.C2(=O)CC7.C36=O.C4(C)=O.CO2.O3C.N45 |
2759 | CCOC(=O)c1c(C)oc2cc(Br)c(O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][Branch2] | c15c(C)oc2cc(Br)c(O)cc12.C35=O.CC4.O34 |
2762 | NC(=O)c1oc2ccc(Br)cc2c1N | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c13oc2ccc(Br)cc2c1N.NC3=O |
2763 | CCOC(=O)c1oc2ccc(Cl)cc2c1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O] | c17oc2ccc(Cl)cc2c16.C37=O.C4(C)=O.CC5.O35.N46 |
2764 | COc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(C)=O)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc7c6c2c1.c18ccc(F)cc1.C78=O.C4(C)=O.CO5.N46 |
2765 | COc1ccc(OC)c(C(=O)c2oc3ccccc3c2N)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][=C][Ring2][Ring1][Ring2] | c16oc2ccccc2c1N.c14ccc5c7c1.C67=O.CO4.O5C |
2766 | COc1ccc(OC)c(C2=NCC(=O)Nc3c2oc2ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][=N][C][C][=Branch1][C][=O][N][C][=C][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c14ccc5c(C2=NCC(=O)Nc3c2oc2ccccc32)c1.CO4.O5C |
2767 | CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC(C)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#C][Ring1][O] | c17c(C)[nH]c2cc(Br)c6cc12.C37=O.C4(C)=O.CC5.O35.O46 |
2768 | COc1cc(OC)cc(C(=O)N2CCc3ccccc32)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | N14CCc2ccccc21.c15cc6cc7c1.C47=O.CO5.O6C |
2769 | COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c12ccccc15.C3C(N)=O.N345.CO2 |
2770 | O=C(Nc1ccc(Br)cc1)c1ccc2nccnc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14ccc(Br)cc1.O=C35.N34 |
2771 | CS(=O)(=O)c1nnnn1-c1cccc2ccccc12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c13cccc2ccccc12.CS(=O)(=O)c1nnnn13 |
2772 | COC(=O)CCC(=O)c1oc2ccc(Cl)cc2c1N | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c14oc2ccc(Cl)cc2c1N.C3(=O)CCC4=O.CO3 |
2773 | CCOC(=O)c1c(C)n(CC)c2cc(Br)c(O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][=C][Ring1][Branch2] | c15c(C)n6c2cc(Br)c(O)cc12.C35=O.CC4.O34.C6C |
2774 | O=C(CSc1ccccn1)Nc1ccc(Br)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15ccccn1.O=C2C3.S35.N24 |
2775 | COc1ccccc1NC(=O)CSc1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccccc15.c16ccccn1.C2(=O)C4.CO3.N25.S46 |
2776 | Cc1ccc(NC(=O)CSc2ccccn2)cc1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.c16ccccn1.C3(=O)C4.N35.S46 |
2777 | CC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ccccn1.C3(=O)C4.CC6=O.N35.S47 |
2779 | N#Cc1ccccc1NC(=O)CSc1ccccn1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | N#Cc1ccccc14.c15ccccn1.C2(=O)C3.N24.S35 |
2780 | N#Cc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.N#Cc1ccccc15.C3(=O)C4.N35.S46 |
2781 | COc1ccc(SCC(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16ccccc1.C5C3=O.CO4.S57.N36 |
2782 | COc1ccc(SCC(=O)Nc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16ccccn1.C5C3=O.CO4.S57.N36 |
2783 | O=C(CSc1nc2ccccc2o1)Nc1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2ccccc2o1.c15ccccc1.O=C3C4.S46.N35 |
2784 | O=C(CSc1nc2ccccc2o1)Nc1ccccn1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nc2ccccc2o1.c15ccccn1.O=C3C4.S46.N35 |
2785 | Nc1c(N2CCN(c3ccccc3)CC2)c2ccccc2oc1=O | [N][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][=Branch1][=O] | Nc1c4c2ccccc2oc1=O.N14CCN5CC1.c15ccccc1 |
2786 | c1ccc(Nc2c(-c3ccn[nH]3)nnn2-c2ccccc2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][N][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c14c7nnn16.c1ccc5cc1.c16ccccc1.c17ccn[nH]1.N45 |
2787 | O=C(Cc1c(F)cccc1Cl)Nn1nnnc1Nc1ccccc1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][N][N][=N][N][=C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C(C4)Nn1nnnc12.c14c(F)cccc1Cl.c13ccccc1.N23 |
2788 | O=C(Cc1cccs1)Nn1nnnc1Nc1ccccc1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][N][N][=N][N][=C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C(C4)Nn1nnnc12.c13ccccc1.c14cccs1.N23 |
2789 | CC1(C)Cc2c(C#N)c3nc(-c4ccccc4)cnn3c2CO1 | [C][C][Branch1][C][C][C][C][C][Branch1][Ring1][C][#N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][N][C][=Ring1][P][C][O][Ring2][Ring1][=Branch1] | CC1(C)Cc2c(C#N)c3nc5cnn3c2CO1.c15ccccc1 |
2790 | NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | NS(=O)(=O)c1ccc4cc1.c15cccs1.C35=O.N34 |
2792 | O=C(Nc1ccc(F)cc1F)C1CC2CCC1C2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c14ccc(F)cc1F.C15CC2CCC1C2.O=C35.N34 |
2794 | C=CCn1c(C)nc2c(cnn2-c2ccccc2)c1=O | [C][=C][C][N][C][Branch1][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n13c(C)nc2c(cnn24)c1=O.c14ccccc1.C=CC3 |
2796 | Cc1nc2c(cnn2-c2ccccc2)c2nnnn12 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring2][Ring1][C][Ring1][Branch1] | Cc1nc2c(cnn23)c2nnnn12.c13ccccc1 |
2797 | Cc1ccc(C)c(NC(=O)CSc2nnc3ccccn23)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c17nnc2ccccn12.Cc1ccc(C)c6c1.C4(=O)C5.N46.S57 |
2798 | O=C1NC2Cc3ccccc3CN2c2ccccc21 | [O][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=C1NC2Cc3ccccc3CN2c2ccccc21 |
2799 | CC(=O)Oc1ccc2oc(-c3ccccc3)c(C(N)=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2oc7c6c2c1.c17ccccc1.CC4=O.C6(N)=O.O45 |
2801 | NC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc14.NC6=O.C35=O.N34 |
2803 | COc1ccc(C=c2sc3nc(=O)cnn3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][=N][C][=Branch1][C][=O][C][=N][N][Ring1][#Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | c14ccc(C=c2sc3nc(=O)cnn3c2=O)cc1.CO4 |
2804 | Cc1ccccc1NC(=O)NCCc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c17nc2ccccc2[nH]1.Cc1ccccc16.C34=O.C5C7.N36.N45 |
2805 | O=c1cnn2c(=O)c(=Cc3ccc(Cl)cc3)sc2n1 | [O][=C][C][=N][N][C][=Branch1][C][=O][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][=C][=N][Ring2][Ring1][C] | O=c1cnn2c(=O)c(=Cc3ccc(Cl)cc3)sc2n1 |
2806 | O=c1cnn2c(=O)c(=Cc3ccccc3Cl)sc2n1 | [O][=C][C][=N][N][C][=Branch1][C][=O][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][Ring1][=C][=N][Ring2][Ring1][C] | O=c1cnn2c(=O)c(=Cc3ccccc3Cl)sc2n1 |
2807 | COC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C17COc2ccccc2O1.c18ccc6cc1.C48=O.C57=O.CO4.N56 |
2808 | N#Cc1nc2c(C#N)c(N)n(Cc3ccco3)c2nc1C#N | [N][#C][C][=N][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][=C][N][=C][Ring2][Ring1][C][C][#N] | N#Cc1nc2c(C#N)c(N)n4c2nc1C#N.c15ccco1.C45 |
2810 | O=C(CSc1nnc2ccccn12)Nc1ccc(F)cc1 | [O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nnc2ccccn12.c15ccc(F)cc1.O=C3C4.S46.N35 |
2811 | COc1ccc(OC)c(Nc2nc3nonc3n3nnnc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][N][=C][Ring1][N][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c16nc2nonc2n2nnnc12.c14ccc5c7c1.CO4.O5C.N67 |
2817 | c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16nc4nc5n1.c1ccc6cc1.n14ccnc1.n15ccnc1 |
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