ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
5832 | COC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2c(=O)c8coc2c1.c18ccccc17.C4(=O)C5.CO4.O56.O7C |
5833 | COc1ccc(CNC(=O)c2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | c14ccc7cc1.c16ccccc1C.C36=O.CO4.C57.N35 |
5834 | COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13cccc4c16.c15cccc(Cl)c1.C26=O.CO3.O4C.N25 |
5835 | COc1cccc(OC)c1C(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13cccc4c16.c15ccc(F)cc1.C26=O.CO3.O4C.N25 |
5836 | Cc1cccc(C)c1NC(=O)c1ccccc1Br | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1cccc(C)c13.c14ccccc1Br.C24=O.N23 |
5838 | CC(C)CNC(=O)c1ccccc1Br | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.CC(C)C3.C24=O.N23 |
5839 | O=C(NC1CCCC1)c1ccccc1Br | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.C13CCCC1.O=C24.N23 |
5841 | COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17ccc(C)cc1.C37=O.CO4.N36.O5C |
5842 | N#Cc1nc(-c2ccc(Cl)cc2)oc1NCC1CCCO1 | [N][#C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][N][C][C][C][C][C][O][Ring1][Branch1] | N#Cc1nc6oc14.c16ccc(Cl)cc1.C15CCCO1.N34.C35 |
5843 | CC(c1ccco1)N(C(=O)c1ccccc1F)c1ccccn1 | [C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1F.c14ccccn1.c16ccco1.CC36.N234.C25=O |
5844 | COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][P] | c15ccc(F)c(F)c1.c14ccc6cc1.C36=O.CO4.N35 |
5845 | COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P] | c15ccc(F)cc1F.c14ccc6cc1.C36=O.CO4.N35 |
5846 | CCc1cccc(C)c1NC(=O)c1ccc(OC)cc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16cccc(C)c14.c15ccc3cc1.C25=O.CC6.N24.O3C |
5847 | COc1ccc(C(=O)n2nnc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][P] | C5(=O)n1nnc2ccccc21.c14ccc5cc1.CO4 |
5852 | COC(=O)c1cc(NC(=O)c2cccs2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] | c18cc6cc9c1.c17cccs1.C38=O.C57=O.C49=O.CO3.N56.O4C |
5853 | COc1ccc(NC(=O)c2cccs2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S] | c14ccc6c5c1.c17cccs1.C37=O.CO4.N36.O5C |
5854 | CC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1 | [C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccn1.c16ccco1.c15cccs1.CC36.N234.C25=O |
5856 | Cc1ccc(S(=O)(=O)N(C(F)F)C(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][F][F][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.N23C(F)F.C2(C)(C)C |
5857 | CC(C)CNc1ncnc2ccc(Br)cc12 | [C][C][Branch1][C][C][C][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c14ncnc2ccc(Br)cc12.CC(C)C3.N34 |
5859 | CC(C)(C)c1ccc(NC(=O)N2CCOCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.N14CCOCC1.CC6(C)C.C34=O.N35 |
5860 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc5cc1.N13CCOCC1.C5(F)(F)F.O=C23.N24 |
5862 | O=S(=O)(NCc1ccco1)c1cc(Cl)ccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | O=S3(=O)c1cc(Cl)ccc1Cl.c14ccco1.N23.C24 |
5863 | Cc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2oc1=O | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.Cc1cccc6c14.C6(C)C.C35=O.N34 |
5864 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.c15ncccn1.CCCC3=O.N36.N45 |
5865 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c18ccc(S6(=O)=O)cc1.c17ncccn1.C34=O.CC5.O35.N48.N67 |
5866 | NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c16c4sc2c1CCCC2.C15CCCO1.NC6=O.C35=O.N34 |
5868 | COc1ccc(Br)cc1C1NC(=O)c2ccccc2N1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O] | C14NC(=O)c2ccccc2N1.c13ccc(Br)cc14.CO3 |
5869 | CC(=O)C1CNc2ccc(Cl)cc2C1(O)c1ccccc1 | [C][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13CNc2ccc(Cl)cc2C1(O)c1ccccc1.CC3=O |
5872 | O=c1c(=O)n(OCc2ccccc2)c2ccccc2n1O | [O][=C][C][=Branch1][C][=O][N][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][O] | O=c1c(=O)n(O3)c2ccccc2n1O.c14ccccc1.C34 |
5873 | CCOn1c(=O)c(=O)n(OCC)c2ccccc21 | [C][C][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][Ring2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | O3n1c(=O)c(=O)n(O4)c2ccccc21.CC3.C4C |
5876 | c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | N15CCN4CC1.c1ccc5cc1.c14nnnn16.c16ccccc1 |
5877 | c1ccc2c(N3CCOCC3)nc(-c3ccncc3)nc2c1 | [C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c1ccc2c4nc5nc2c1.N14CCOCC1.c15ccncc1 |
5878 | c1ccc2c(c1)nc(N1CCCCCC1)c1nncn12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][N][=C][N][Ring1][Branch1][Ring1][P] | c1ccc2c(c1)nc3c1nncn12.N13CCCCCC1 |
5880 | CC1CCN(c2nc3ccccc3n3cnnc23)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][Ring2][Ring1][Ring1] | c14nc2ccccc2n2cnnc12.CC1CCN4CC1 |
5885 | CCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n15c6nc2ccccc2c1=O.c14ccccc1.C3C4=O.CC5.S36 |
5886 | O=S(=O)(Nc1ccccc1Cl)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13ccccc1Cl.N23 |
5889 | CCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][#C][Ring1][Branch2] | c18c7sc2c6cccc12.C38=O.C4(C)=O.CC5.O35.N47.O6C |
5890 | COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(C)=O)ccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | n18c(C)c7c2cc6ccc21.c15ccc8cc1.C7(C)=O.C4(C)=O.CO5.O46 |
5892 | Cc1nc2ccccc2c(=O)n1-c1ccccc1O | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cc1nc2ccccc2c(=O)n13.c13ccccc1O |
5899 | COc1ccc(C2(CC(N)=O)CCOC(C)(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring1][C] | C145CCOC(C)(C)C1.c13ccc5cc1.C4C(N)=O.CO3 |
5900 | Cc1cc(-n2ncc(C(N)=O)c2N)nc2ccccc12 | [C][C][=C][C][Branch1][S][N][N][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][N][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1cc4nc2ccccc12.n14ncc3c1N.C3(N)=O |
5902 | Cc1ccc2c(c1)C(O)(C1COC(C)(C)CC1=O)C(=O)N2C | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][S][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][=Branch1][C][=O][N][Ring1][P][C] | Cc1ccc2c(c1)C(O)(C1COC(C)(C)CC1=O)C(=O)N2C |
5904 | CCOC(=O)N1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | c17ccc(C#CC(C)(C)O)cc1.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
5905 | COc1ccccc1NS(=O)(=O)c1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.c12ccccc14.CO2.N34 |
5906 | O=c1c2c(-c3ccc(F)cc3)csc2ncn1-n1cccc1 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][N][N][=C][N][Ring1][S][N][C][=C][C][=C][Ring1][Branch1] | O=c1c2c4csc2ncn1-n1cccc1.c14ccc(F)cc1 |
5907 | CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.c14ccccc1.N234.CC2 |
5908 | Cc1sc2ncnc(N3CCN(c4ncccn4)CC3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncnc5c2c1C.N15CCN6CC1.c16ncccn1 |
5910 | CCC(=O)c1ccc(OCc2c(C)noc2C)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][#C] | c15ccc4cc1.c16c(C)noc1C.CCC5=O.O34.C36 |
5911 | Cc1ccc(S(=O)(=O)NCCc2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc(S4(=O)=O)cc1.c15cccs1.C3C5.N34 |
5912 | CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc(F)cc1.c14ccc6cc1.CC3.O34.N56 |
5913 | O=C(CSc1nnc2ccccn12)Nc1c(F)cccc1F | [O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c16nnc2ccccn12.c15c(F)cccc1F.O=C3C4.S46.N35 |
5914 | COc1cccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | N15C(=O)CN=C1N4.c14nc(C)cc(C)n1.c13cccc5c1.CO3 |
5915 | CCOC(=O)c1nn(-c2ccccc2F)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][N][O] | c15nn6cc1O.c16ccccc1F.C35=O.CC4.O34 |
5919 | COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c13ccc(S6(=O)=O)cc1.c17ccccc14.CO3.N56.C57.O4C |
5921 | c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | c14nnc5c6n1.c1ccc4nc1.c15ccccn1.c16ccccn1 |
5922 | Cc1sc2nc3c4ccccc4c4nncn4n3c(=O)c2c1C | [C][C][S][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][N][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2nc3c4ccccc4c4nncn4n3c(=O)c2c1C |
5923 | COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 | [C][O][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][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.c15ccccc1F.CO3.N45 |
5924 | Cc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][S][C][N][=C][Branch1][C][C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][=Ring1][=N][O][Ring2][Ring1][Branch1] | c15csc2nc(C)n(-n3cccc3)c(=O)c12.Cc1ccc5o1 |
5925 | COC(=O)c1nn(-c2ccc(Cl)c(C(F)(F)F)c2)cc1O | [C][O][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring1][S][O] | c16ccc(Cl)c5c1.c14nn6cc1O.C5(F)(F)F.C34=O.CO3 |
5927 | Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCC(C)C3 |
5931 | CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.C37=O.CC4.O34.N56 |
5932 | CCOC(=O)c1nn(-c2ccc(C)cc2C)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][=N][O] | c16ccc(C)cc1C.c15nn6cc1O.C35=O.CC4.O34 |
5933 | COc1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1ccccc1.c13ccc6c4c1.CO3.N56.O4C |
5935 | CCOC(=O)c1ccc(-n2cc(O)c(C(=O)OCC)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][O][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=N][Ring1][O][C][=C][Ring1][P] | c18ccc9cc1.n19cc(O)c7n1.C38=O.C47=O.CC5.O35.O46.C6C |
5936 | CCOC(=O)c1ccc(-n2cc(O)c(C(=O)OC)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][C][=C][Ring1][S] | c17ccc8cc1.n18cc(O)c6n1.C37=O.C46=O.CC5.O35.O4C |
5937 | COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc(C)cc1.c13ccc6c4c1.CO3.N56.O4C |
5938 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c17ccc8c6c1.c19ccccc1.C37=O.C48=O.C59=O.CO3.O4C.N56 |
5942 | CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][#C][O] | c15nn7cc1O.c17cccc6c1.C6(F)(F)F.C35=O.CC4.O34 |
5944 | CCOC(=O)c1nn(-c2ccc(F)c(Cl)c2)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][=N][O] | c16ccc(F)c(Cl)c1.c15nn6cc1O.C35=O.CC4.O34 |
5946 | Cc1sc2nc[nH]c(=O)c2c1-c1ccc(Cl)cc1 | [C][C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1sc2nc[nH]c(=O)c2c13.c13ccc(Cl)cc1 |
5947 | Cc1nc(N2CCOCC2)c2cc(-c3ccccc3)sc2n1 | [C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][=N][Ring2][Ring1][Branch1] | Cc1nc4c2cc5sc2n1.N14CCOCC1.c15ccccc1 |
5948 | CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(C)n(C)n5c1=O.c15ccccc1.CCCC3=O.N34 |
5949 | COC(=O)c1cc(NC(=O)c2ccco2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] | c18cc6cc9c1.c17ccco1.C38=O.C57=O.C49=O.CO3.N56.O4C |
5950 | Cc1sc2nc[nH]c(=O)c2c1-c1ccc(F)cc1 | [C][C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc2nc[nH]c(=O)c2c13.c13ccc(F)cc1 |
5951 | O=C(Nc1ccc(Cl)c(Cl)c1)c1ccco1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] | c13ccc(Cl)c(Cl)c1.c14ccco1.O=C24.N23 |
5952 | COc1ccc(Cl)cc1NC(=O)c1ccco1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c13ccc(Cl)cc14.c15ccco1.C25=O.CO3.N24 |
5953 | CCOC(=O)c1nn(-c2ccc(C(=O)OC)cc2)cc1O | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][O] | c16nn8cc1O.c18ccc7cc1.C36=O.C47=O.CC5.O35.O4C |
5955 | CCOC(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc15.c16ccco1.C27=O.C36=O.CC4.O24.N35 |
5956 | O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)c3cccc1c23 | [O][=C][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | O=C1Nc2ccc(S4(=O)=O)c3cccc1c23.c15ccccc1.N45 |
5957 | Cc1ccccc1NC(=O)CSc1nnc2ccccn12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | c16nnc2ccccn12.Cc1ccccc15.C3(=O)C4.N35.S46 |
5958 | COc1cccc(NC(=O)CSc2nnc3ccccn23)c1 | [C][O][C][=C][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][Ring2] | c18nnc2ccccn12.c15cccc7c1.C4(=O)C6.CO5.N47.S68 |
5959 | COc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc2c1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | C4(=O)Nn1cnc2ccccc2c1=O.c13ccc(Cl)cc14.CO3 |
5960 | O=C(c1ccco1)N1CCN(C(=O)N2CCOCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.N15CCOCC1.c16ccco1.O=C36.C45=O |
5961 | COc1ccc(OC)c(CNn2c(C)nc3ccccc3c2=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][N][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] | C6Nn1c(C)nc2ccccc2c1=O.c14ccc5c6c1.CO4.O5C |
5962 | CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N14CCN5CC1.c16ccco1.CN3C.C34=O.C56=O |
5963 | Cc1nc2ccccc2c(=O)n1NCc1ccc(Br)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n1NC3.c13ccc(Br)cc1 |
5964 | COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring2][O][C] | C6Nn1c(C)nc2ccccc2c1=O.c14ccc6cc15.CO4.O5C |
5965 | O=C(N(c1ccccc1)c1ccccc1)n1ccnc1 | [O][=C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1] | O=C2n1ccnc1.c13ccccc1.c14ccccc1.N234 |
5966 | Cc1nc2ccccc2c(=O)n1NCc1ccc(OC(F)F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2] | Cc1nc2ccccc2c(=O)n1NC4.c14ccc3cc1.O3C(F)F |
5967 | COc1ccc(C(=O)Nn2nnc3ccccc3c2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2][O][C] | C6(=O)Nn1nnc2ccccc2c1=O.c14ccc6cc15.CO4.O5C |
5968 | Cc1nc2ccccc2c(=O)n1NCc1ccccc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1nc2ccccc2c(=O)n1NC3.c13ccccc1F |
5969 | Cc1nc2ccccc2c(=O)n1NCc1ccco1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc2ccccc2c(=O)n1NC3.c13ccco1 |
5970 | C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][S][C][=Ring1][Branch1][N][Ring1][=C][Ring1][O][C][C][C][Ring1][Branch2] | c16nnc2n(C)c(=O)c3c4c(sc3n12)CCC4.C=C(C)C5.S56 |
5972 | CCOc1ccc(-n2nnnc2SCC(=O)C(C)(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.C5C(=O)C(C)(C)C.n16nnnc17.CC3.O34.S57 |
5973 | CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 | [C][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O] | c14nc(N)c2c3c(sc2n1)COC(C)(C)C3.CS4 |
5974 | CCOC(=O)c1c(NC(=O)CC)sc2c1CC(C)(C)OC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][=C][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2] | c17c6sc2c1CC(C)(C)OC2.C4(=O)CC.C37=O.CC5.O35.N46 |
5975 | O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)CCC3 | [O][=C][C][C][=C][Branch2][Ring1][#Branch1][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1] | O=c1c2c3c(sc2n2cnnc2n14)CCC3.c14ccccc1 |
5976 | CC1(C)Cc2c(sc3ncn4ncnc4c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch1][P][S][C][N][=C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][N][=Ring1][=Branch2][C][O][Ring1][P] | CC1(C)Cc2c(sc3ncn4ncnc4c23)CO1 |
5977 | O=c1c2c3c(sc2n2cnnc2n1C1CCCCC1)CCC3 | [O][=C][C][C][=C][Branch2][Ring1][#Branch1][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1] | O=c1c2c3c(sc2n2cnnc2n14)CCC3.C14CCCCC1 |
5978 | O=S(=O)(NCc1ccco1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S4(=O)c1cccc2cccnc12.c15ccco1.N34.C35 |
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