ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
21779 | CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][=Branch1][C][=O][C][C] | c17c6nc8nc1C.c18ccccc1.C4(=O)CC.C37=O.CC5.O35.N46 |
21780 | CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c17c6nc8nc1C.c18ccccc1.C4(=O)C(C)C.C37=O.CC5.O35.N46 |
21781 | COC(=O)c1ccc(COc2ccccc2OC)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][#C] | c15ccccc16.c17ccc8o1.C37=O.CO3.C48.O45.O6C |
21782 | Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c16nnn7c1O.c17ccc(C)cc1.C46=O.N45 |
21783 | Cc1ccc(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c13c(C)n(C)n4c1=O.Cc1ccc(C)n13.c14ccccc1 |
21784 | Cc1ccc(N2CCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][=Branch1] | N14CCn2c1nc1c2c(=O)n(C)c(=O)n1C.Cc1ccc4cc1 |
21785 | CCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | n15c(=O)c2c(nc3n2CCN34)n(C)c1=O.c14ccc(C)cc1.CC5 |
21786 | CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][C][Branch1][C][C][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][Branch1][C][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.CC(C)CC3.C4CC(C)C.S35 |
21788 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S6(=O)(=O)c1cccc8c1.c17ccccc1C.N456.C38=O.CC4.C5C.N37 |
21789 | O=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2oc(=O)ccc2c1.c15ccccc1.O=C35.N34 |
21790 | Nc1ccc2nc(CCCc3nc4ccc(N)cc4s3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][C][C][C][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Nc1ccc2nc5sc2c1.c16nc2ccc(N)cc2s1.C5CC6 |
21793 | O=C(Nc1ccc(Cl)cc1)Oc1cccc(N2CCCC2=O)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N] | c16ccc(Cl)cc1.c15cccc7c1.N17CCCC1=O.O=C34.N46.O35 |
21795 | O=C(Nc1cccnc1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccnc1.O=C35.N34 |
21796 | CCc1cc2c(N3CCN(c4ncccn4)CC3)ncnc2s1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1] | c17cc2c5ncnc2s1.N15CCN6CC1.c16ncccn1.CC7 |
21797 | O=C(NCc1ccccc1)c1cc2cc(Cl)ccc2oc1=O | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Cl)ccc2oc1=O.c16ccccc1.O=C35.N34.C46 |
21799 | Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Nc1cccc5c1.c16ccccc1.C4C6=O.C35=O.O34 |
21800 | CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)c(NC(C)=O)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c17ccc9c%10c1.c18ccc6cc1.CC3=O.C4(C)=O.C5(C)=O.N38.O67.N49.N5%10 |
21802 | CC1(C)CC(C)(c2ccc(N)cc2)c2cc(N)ccc21 | [C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] | CC1(C)CC(C)(c2ccc(N)cc2)c2cc(N)ccc21 |
21804 | O=C(Nc1ccccc1O)c1ccc(Br)cc1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccccc1O.c14ccc(Br)cc1.O=C24.N23 |
21806 | COc1ccc(C(C)NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c18ccc5c6c1.c14ccc9cc1.C79C.C38=O.CO4.N37.O5C.O6C |
21807 | CCn1c(NC(=O)COc2ccccc2C)nc2ccccc21 | [C][C][N][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n17c6nc2ccccc21.c15ccccc1C.C3(=O)C4.CC7.N36.O45 |
21808 | CC(=O)Nc1ccc(-c2nc3ccccc3o2)c(OC(C)=O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1] | c18nc2ccccc2o1.c17ccc8c6c1.CC5=O.C4(C)=O.N57.O46 |
21809 | CCOC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17ccnn1C.C38=O.C47=O.CC5.O35.N46 |
21810 | O=c1oc2ccccc2c2c1ncn2CCc1ccccc1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1oc2ccccc2c2c1ncn23.c14ccccc1.C3C4 |
21811 | CCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17cnccn1.C38=O.C47=O.CC5.O35.N46 |
21812 | CC(=O)Nc1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C] | C16OC7C(O)C(O)C1O.c14ccc5cc1.CC3=O.N34.N56.C7O |
21814 | O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(F)cc1.N13CCOCC1.O=C25.C36=O.O24 |
21815 | O=C(c1ccccc1)N1CCCCC1c1cccnc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | N12CCCCC14.c13ccccc1.c14cccnc1.O=C23 |
21816 | CC(=O)Nc1ccc(-c2nc3ccc(NC(C)=O)cc3o2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c18nc2ccc7cc2o1.c16ccc8cc1.CC4=O.C5(C)=O.N46.N57 |
21817 | N#Cc1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 | [N][#C][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C] | N#Cc1cnn2c4cc5nc12.c15cccs1.C4(F)(F)F |
21818 | Cc1nc2cc(-c3ccc4nc(C)[nH]c4c3)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch1][P][C][=C][C][=C][N][=C][Branch1][C][C][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1] | Cc1nc2cc5ccc2[nH]1.c15ccc2nc(C)[nH]c2c1 |
21819 | Cc1nc2cc(S(=O)(=O)c3ccc4nc(C)[nH]c4c3)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1] | Cc1nc2cc(S(=O)(=O)c3ccc4nc(C)[nH]c4c3)ccc2[nH]1 |
21820 | CCOC(=O)C=C(C)n1cc2c(=O)n(C)c(=O)n(C)c2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=N] | C=5(C)n1cc2c(=O)n(C)c(=O)n(C)c2n1.C3(=O)C=5.CC4.O34 |
21821 | COc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][=C][Ring1][=N] | c14ccccc15.c16ccc8cc1.n17cc(Cl)cn1.C36=O.CO4.N35.C78 |
21822 | CCn1cc(Br)c(C(=O)Nc2nccs2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][=C] | n16cc(Br)c5n1.c14nccs1.C35=O.CC6.N34 |
21823 | CCn1cc(Br)c(C(=O)n2cc(Br)cn2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][=N][Ring1][=C] | C3(=O)n1cc(Br)cn1.n14cc(Br)c3n1.CC4 |
21824 | CCn1cc(Br)c(C(=O)Nc2ccccc2OC)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][P] | n17cc(Br)c6n1.c15ccccc14.C36=O.CC7.N35.O4C |
21825 | CCn1ccc(C(=O)Nc2ccc(C)cc2Br)n1 | [C][C][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][=N][Ring1][S] | c14ccc(C)cc1Br.n16ccc5n1.C35=O.CC6.N34 |
21826 | O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | N14CCN5CC1.c15ccccc1F.N13CCOCC1.O=C34 |
21827 | O=C(NCCc1ccc(F)cc1)N1CCOCC1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(F)cc1.N13CCOCC1.O=C23.C4C5.N24 |
21828 | COCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc(S5(=O)=O)cc1.N15CCOCC1.C4C3=O.CO4.N36 |
21829 | Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)(C)C)s1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2] | Cc1onc7c15.c17ccccc1.c14nnc6s1.C6(C)(C)C.C35=O.N34 |
21830 | Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1onc7c15.c16ccc(F)cc1.c17ccccc1.C35=O.C4C6.N34 |
21831 | Cc1csc(NC(=O)Cc2ccc(F)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S] | c15ccc(F)cc1.Cc1csc4n1.C3(=O)C5.N34 |
21832 | CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C][O][C] | C17NC(=O)NC(C)=C1C3=O.c15ccc7cc16.CC4.O45.O3C.O6C |
21833 | CC(=O)Nc1ncc2c(n1)CC(c1ccc(Cl)cc1)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15ccc(Cl)cc1.CC3=O.N34 |
21835 | COc1ccc(CNC(=O)C(C)Oc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16ccccc1.C3(=O)C4C.CO5.C78.N37.O46 |
21836 | O=C(Nc1ccc2c(c1)CCC2)c1c(F)cccc1F | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14ccc2c(c1)CCC2.c15c(F)cccc1F.O=C35.N34 |
21837 | CCOc1cccc2c1OC1(C)CC2C(C(C)=O)C(=O)N1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][Ring1][O] | c14cccc2c1OC1(C)CC2C5C(=O)N1.C5(C)=O.CC3.O34 |
21838 | CCC(C(=O)Nc1cc(C)on1)c1nc2ccccc2o1 | [C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15nc2ccccc2o1.CCC5C3=O.c14cc(C)on1.N34 |
21839 | O=C(Nc1cccc2c1CCCC2)c1ccncc1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cccc2c1CCCC2.c15ccncc1.O=C35.N34 |
21840 | Cc1cc(OCc2nc(-c3ccncc3)no2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5ccc1Cl.c16nc7no1.c17ccncc1.O45.C46 |
21841 | COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc8cc17.c19ccc5c6c1.c18noc9n1.CO4.O5C.O6C.O7C |
21842 | Cc1cc(OCC(=O)NCc2ccncc2)ccc1Cl | [C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5ccc1Cl.c17ccncc1.C4C3=O.O45.N36.C67 |
21843 | Cc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.N13CCN6CC1.C4C3=O.S6(C)(=O)=O.O45 |
21844 | Cc1occc1C(=O)Nc1ccc(Cl)cc1F | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F] | c13ccc(Cl)cc1F.Cc1occc14.C24=O.N23 |
21846 | COc1cc(OC)cc(C(=O)NCc2cccs2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][P] | c14cc5cc7c1.c18cccs1.C37=O.CO4.O5C.N36.C68 |
21847 | COc1ccccc1OCC(=O)N1CCN(c2ccccc2F)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c15ccccc16.N13CCN7CC1.c17ccccc1F.C4C3=O.CO5.O46 |
21848 | Cc1cccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1][C] | Cc1cccc6c1C.N13CCC(C)CC1.C4C3=O.S5(C)(=O)=O.N456 |
21849 | Nc1cc(N)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring2] | Nc1cc(N)nc6n1.c15ccc(F)c(Cl)c1.C4C3=O.S46.N35 |
21853 | CCn1ncc(Cl)c1C(=O)Nc1cccc(OC)c1 | [C][C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | n16ncc(Cl)c15.c14cccc3c1.C25=O.CC6.N24.O3C |
21854 | Cc1cc(C)nc(NC(=O)c2nn(C)cc2Br)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][=N][Ring1][P] | Cc1cc(C)nc4n1.c15nn(C)cc1Br.C35=O.N34 |
21855 | COc1ccc(CCNC(=O)c2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17ccncc1.C8C6.C37=O.CO4.N36.O5C |
21856 | COc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C] | c14ccccc15.N15CCN3CC1.c16ccoc1C.C36=O.CO4 |
21857 | CCn1cc(CNC(=O)NC2CCCCC2)c(C)n1 | [C][C][N][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring1][P] | n17cc8c(C)n1.C16CCCCC1.C34=O.CC7.C58.N35.N46 |
21858 | Cc1cc(OCC(=O)Nc2ccncc2)ccc1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Cl] | Cc1cc5ccc1Cl.c16ccncc1.C4C3=O.O45.N36 |
21859 | Cc1cc(OCC(=O)NCc2cccnc2)ccc1Cl | [C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5ccc1Cl.c17cccnc1.C4C3=O.O45.N36.C67 |
21860 | CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.n19nc(C)cc1C.c18ccc%10o1.C48=O.CC5.O56.N47.C9%10 |
21861 | Cn1nccc1C(=O)Nc1cc(C(F)(F)F)ccc1F | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | c13cc5ccc1F.Cn1nccc14.C5(F)(F)F.C24=O.N23 |
21862 | Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2cccnc12.Cc1nn(C)c(C)c15.N34C.C35 |
21865 | O=C(N1CCCCC1)N1CCN(C(=O)N2CCCCC2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN5CC1.N13CCCCC1.N16CCCCC1.O=C34.C56=O |
21866 | CCN(CC)C(=O)N1CCN(C(=O)N(CC)CC)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][Ring1][=N] | N13CCN4CC1.N267.C23=O.C45=O.N589.CC6.C7C.C8C.C9C |
21867 | O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c18cccc7c1.N16CCCCC1.N15CCOCC1.O=C45.C36=O.N48.O37 |
21868 | O=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | c18ccc7cc1.N16CCCCC1.N15CCCCC1.O=C45.C36=O.N48.O37 |
21871 | CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][S][C][=C][Ring1][N][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.C17CCC1.C38=O.C47=O.CC5.O35.N46 |
21873 | COc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.N12CCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3 |
21874 | CC(C(=O)N1CCCCCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | N12CCCCCC1.c15ccccc1.CC3C2=O.S4(C)(=O)=O.N345 |
21875 | CC(C(=O)N1CCCCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | N12CCCCC1.c15ccccc1.CC3C2=O.S4(C)(=O)=O.N345 |
21876 | CS(=O)(=O)N1CCN(c2ccccc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | N13CCN4CC1.c14ccccc1F.CS3(=O)=O |
21877 | O=C(NCc1nc2ccccc2[nH]1)C1CCCCC1 | [O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.C15CCCCC1.O=C35.N34.C46 |
21878 | CCn1cc(C(=O)Nc2ccccc2C(=O)OC)cn1 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring2][Ring1][C] | c15ccccc17.n18cc6cn1.C46=O.C37=O.CC8.N45.O3C |
21879 | COc1ccc(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1] | c17c(C)nn(C)c1C.c14ccc6cc1.C6CC3=O.N35C.CO4.C57 |
21882 | C=CCC(c1ccccc1)N(C(C)=O)c1ccco1 | [C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1.C=CCC35.c14ccco1.N234.C2(C)=O |
21884 | CCOc1ccc(NC(=O)c2ccnn2CC)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][C][=C][Ring1][S] | c15ccc6cc1.c17ccnn18.C37=O.CC4.O45.N36.C8C |
21885 | C=CCC1N(c2ccccc2)C(=O)C2C(C(=O)OCC)C3C=CC21O3 | [C][=C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][=C][C][Ring1][O][Ring2][Ring1][Branch1][O][Ring1][Branch1] | C17N8C(=O)C2C6C3C=CC21O3.c18ccccc1.C=CC7.C46=O.O45.C5C |
21887 | Cc1occc1C(=O)n1cc(Br)cn1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1] | C2(=O)n1cc(Br)cn1.Cc1occc12 |
21888 | Cc1nn(C(=O)c2ccoc2C)c(C)c1Br | [C][C][=N][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][C][C][=C][Ring1][=C][Br] | Cc1nn(C3=O)c(C)c1Br.c13ccoc1C |
21889 | Cc1sc(NC(=O)c2ccco2)c(C(=O)OC(C)C)c1C | [C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring1][C] | Cc1sc6c8c1C.c17ccco1.C47=O.C38=O.C5(C)C.N46.O35 |
21890 | CCC(Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O] | c16nc(C)c7s1.CCC4C2=O.c15ccccc1.C37=O.N3(C)C.O45.N26 |
21891 | Cc1nn(C)cc1C(=O)Nc1ccccc1Br | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1nn(C)cc14.c13ccccc1Br.C24=O.N23 |
21892 | Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccs3)o2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][=C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n7n1.c18ccc6o1.c19cccs1.C46=O.C78.N45.C59 |
21893 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)o1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c17cc(C)sc15.c16ccc(C)o1.C27=O.C36=O.CC4.O24.N35 |
21895 | CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][C] | n18cc(Cl)c6n1.c15ccsc17.C46=O.C37=O.CC8.N45.O3C |
21896 | CCOC(=O)c1sc(NC(=O)C2CCC2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][=Ring1][N][C] | c17sc6nc1C.C18CCC1.C37=O.C48=O.CC5.O35.N46 |
21898 | CCn1cc(Cl)c(C(=O)Nc2nccs2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][=C] | n16cc(Cl)c5n1.c14nccs1.C35=O.CC6.N34 |
21899 | Cc1occc1C(=O)n1nc(C(F)(F)F)cc1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C] | C2(=O)n1nc3cc1C.Cc1occc12.C3(F)(F)F |
21900 | CCOC(=O)c1cc(CC)sc1NC(=O)c1cnccn1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][S][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c17cc8sc15.c16cnccn1.C27=O.C36=O.CC4.O24.C8C.N35 |
21901 | COC(=O)c1c(-c2ccco2)csc1NC(=O)C1CC1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][S][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c17c8csc15.c18ccco1.C37=O.C46=O.C16CC1.CO3.N45 |
21902 | COC(=O)c1sc(NC(=O)c2cccc(OC)c2OC)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=N][C][=Ring2][Ring1][C][C] | c19cccc5c16.c18sc7nc1C.C38=O.C49=O.CO3.N47.O5C.O6C |
21903 | CCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O] | c15ccccc18.c16nc(C)c7s1.C28=O.C37=O.N3(C)C.CC4.O45.N26 |
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