ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16866 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][O][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] | c13ccc(S4(=O)=O)cc1.N14CCOCC1.CO3 |
16867 | CC(C)(C)c1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc5cc1.C16CCCO1.CC7(C)C.C35=O.N34.C46 |
16868 | CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][C][C][Ring2][Ring1][#Branch1] | CC1CCN4CC1.c16ccc7cc1.N15CCC(C)CC1.C46=O.C57=O |
16869 | Cc1ccc2ccc(S(=O)(=O)NCc3cccnc3)cc2c1 | [C][C][=C][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2ccc(S5(=O)=O)cc2c1.c16cccnc1.N45.C46 |
16870 | O=S(=O)(c1ccc(Cl)cc1Br)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)cc1Br.N12CCOCC1 |
16871 | O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1F | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.c18ccccc1.O=C2C5.C34=O.N35.N46.C68.N27 |
16872 | O=C(NCCc1ccccc1)c1c(F)cccc1F | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14c(F)cccc1F.c15ccccc1.O=C24.C3C5.N23 |
16873 | O=C(c1c(F)cccc1F)n1nnc2ccccc21 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3n1nnc2ccccc21.c13c(F)cccc1F |
16874 | O=C(Nc1ccc(F)c(Cl)c1)c1cncc(Br)c1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(F)c(Cl)c1.c14cncc(Br)c1.O=C24.N23 |
16875 | COc1ccc(NC(=O)NCC(=O)Nc2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19cccc(C)c1.C7C5=O.C34=O.CO6.N38.N47.N59 |
16876 | O=C(Nc1ccc(F)cc1F)c1cncc(Br)c1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(F)cc1F.c14cncc(Br)c1.O=C24.N23 |
16877 | O=C(Nc1ccc(Cl)cc1)c1cncc(Br)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.c14cncc(Br)c1.O=C24.N23 |
16878 | O=C(CNC(=O)NCc1ccccc1)Nc1cccc(F)c1 | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cccc(F)c1.c18ccccc1.O=C2C5.C34=O.N35.N46.C68.N27 |
16880 | CC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][S] | c15ccc6cc1.C17CCCNC1=O.CC4C.C37=O.O45.N36 |
16881 | NS(=O)(=O)c1ccc(Nc2nccs2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][N] | NS(=O)(=O)c1ccc4cc1.c13nccs1.N34 |
16882 | COc1ccc(C2=NC(=C3OC(=O)c4ccccc43)C(=O)O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][=Branch1][P][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C2=NC=6C(=O)O2)cc1.C1=6OC(=O)c2ccccc21.CO5 |
16883 | CCOc1ccc(NS(=O)(=O)CC(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c13ccc5cc1.S4(=O)(=O)CC(C)C.CC2.O23.N45 |
16884 | CCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][O][C][=Branch1][C][=O][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.C36=O.CC4.O34 |
16886 | Cc1cc(N)ccc1NS(=O)(=O)c1ccccc1 | [C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.Cc1cc(N)ccc13.N23 |
16887 | N#Cc1c(SCC(N)=O)nc(-c2ccccc2)c2c1CCCC2 | [N][#C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][C][C][C][Ring1][=Branch1] | N#Cc1c4nc5c2c1CCCC2.c15ccccc1.C3C(N)=O.S34 |
16888 | Nc1ccccc1S(=O)(=O)Nc1ccccc1Cl | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Nc1ccccc1S2(=O)=O.c13ccccc1Cl.N23 |
16889 | COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | c14ccc7cc1.c19ccccc1.c18ccco1.C37=O.N356.C5C9.CO4.C68 |
16890 | CC(C)C(=O)N(CCc1ccccc1)Cc1ccco1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1.CC(C)C2=O.c15ccco1.N234.C3C6.C45 |
16891 | Cc1ccc2c(c1)C1CC(C)(O2)N(c2ccccc2)C(=O)N1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][Branch1][Ring2][O][Ring1][Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C] | Cc1ccc2c(c1)C1CC(C)(O2)N3C(=O)N1.c13ccccc1 |
16892 | CC(C)C(=O)N(Cc1ccco1)CC1CCCO1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | CC(C)C2=O.c16ccco1.C15CCCO1.N234.C36.C45 |
16893 | O=C(C1CCCCC1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | C15CCCCC1.c17ccco1.C16CCCO1.O=C25.N234.C37.C46 |
16894 | O=C(c1cccs1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c15cccs1.c17ccco1.C16CCCO1.O=C25.N234.C37.C46 |
16895 | O=C(c1ccco1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c15ccco1.c17ccco1.C16CCCO1.O=C25.N234.C37.C46 |
16897 | O=C(CCn1nnc2ccccc2c1=O)NCc1ccccn1 | [O][=C][Branch2][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15nnc2ccccc2c1=O.c16ccccn1.O=C3CC5.N34.C46 |
16899 | COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | n17nnc2ccccc2c1=O.c15ccc8cc1.C4(=O)C7.CO5.C68.N46 |
16900 | O=C(CCc1ccccc1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c17ccccc1.O=C2CC7.c16ccco1.C15CCCO1.N234.C36.C45 |
16901 | COc1ccc(CC(=O)N(Cc2ccco2)CC2CCCO2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc9cc1.c18ccco1.C17CCCO1.C9C3=O.N356.CO4.C58.C67 |
16902 | Cc1cc(=O)[nH]c(N2CCN(c3cccc(Cl)c3)CC2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring2] | Cc1cc(=O)[nH]c4n1.N14CCN5CC1.c15cccc(Cl)c1 |
16903 | COc1ccc(Cc2noc(-c3ccncc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16noc8n1.c18ccncc1.CO4.C67.O5C |
16904 | O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16ccc2c(c1)OCO2.c18ccco1.C17CCCO1.O=C36.N345.C48.C57 |
16905 | O=C(C1CCC1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c17ccco1.C16CCCO1.C15CCC1.O=C25.N234.C37.C46 |
16908 | COCC(=O)N(Cc1ccco1)CC1CCCO1 | [C][O][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c17ccco1.C16CCCO1.C3C2=O.N245.CO3.C47.C56 |
16909 | CCCC(=O)N(Cc1ccccc1)Cc1ccco1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1.CCCC2=O.c15ccco1.N234.C36.C45 |
16910 | O=C(c1ccccc1)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1.c17ccccc1.c16ccco1.O=C25.N234.C37.C46 |
16911 | COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc7cc1.c19ccccc1.c18ccco1.C37=O.N356.CO4.C59.C68 |
16912 | CC(C)C(=O)N(Cc1ccccc1)Cc1ccco1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1.CC(C)C2=O.c15ccco1.N234.C36.C45 |
16913 | Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c18ccccc1.c17ccco1.C36=O.N345.C48.C57 |
16914 | O=C(c1cccs1)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc1.c15cccs1.c16ccco1.O=C25.N234.C37.C46 |
16915 | Cc1sc2ncnc(SCC(=O)NCC3CCCO3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncnc8c2c1C.C17CCCO1.C6C4=O.S68.N45.C57 |
16916 | O=C(COc1ccccc1)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc1.c18ccccc1.c17ccco1.O=C2C3.N256.O34.C58.C67 |
16917 | O=C(c1ccccc1F)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc1F.c17ccccc1.c16ccco1.O=C25.N234.C37.C46 |
16918 | O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccc2c(c1)OCO2.c18ccccc1.c17ccco1.O=C36.N345.C48.C57 |
16919 | O=C(C1CCC1)N(Cc1ccccc1)Cc1ccco1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc1.c16ccco1.C15CCC1.O=C25.N234.C37.C46 |
16920 | COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.c19ccccc1.c18ccco1.C37=O.N356.CO4.C59.C68 |
16922 | COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | C2(=O)CCC3=O.c15ccc6cc1.C4(C)=O.CO2.N35.N46 |
16923 | CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccccc21 | [C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | CC(C3=O)C1(O)C(=O)Nc2ccccc21.c13ccccc1 |
16924 | CCCC(=O)N(Cc1ccccc1)Cc1ccc(C)o1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c16ccccc1.c15ccc(C)o1.CCCC2=O.N234.C36.C45 |
16925 | c1ccc(Nc2nc(-c3ccccn3)cs2)nc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][N][=C][Ring2][Ring1][C] | c1ccc4nc1.c15nc6cs1.c16ccccn1.N45 |
16926 | CC(C)c1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C4(=O)CC1(O)C(=O)N(C)c2ccccc21.c15ccc4cc1.CC5C |
16927 | CN(C)c1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C5(=O)CC1(O)C(=O)N(C)c2ccccc21.c14ccc5cc1.CN4C |
16928 | CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | CN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc2c(c1)CCCC2 |
16929 | CC(C(=O)c1ccccc1)C1(O)C(=O)N(C)c2ccccc21 | [C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | CC(C3=O)C1(O)C(=O)N(C)c2ccccc21.c13ccccc1 |
16930 | COc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | C6(=O)CC1(O)C(=O)N(C)c2ccccc21.c14ccc6c5c1.CO4.O5C |
16932 | CCn1cc(C(=O)Nc2nccs2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] | n16cc5c(=O)c2ccc(C)nc21.c14nccs1.C35=O.CC6.N34 |
16933 | Cc1ccc(-c2csc3ncn(Cc4ccncc4)c(=O)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c17csc2ncn5c(=O)c12.Cc1ccc7cc1.c16ccncc1.C56 |
16934 | c1coc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 | [C][=C][O][C][Branch2][Ring1][O][C][N][=C][C][C][=C][Branch1][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][N][=Ring1][N][C][C][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c16nc2c3c4c(sc3ncn2n1)CCCC4.c1coc6c1 |
16935 | O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16ccc(Cl)cc1.c18ccco1.C17CCCO1.O=C23.N345.N26.C48.C57 |
16936 | O=C(Nc1ccccc1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16ccccc1.c18ccco1.C17CCCO1.O=C23.N345.N26.C48.C57 |
16937 | O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16cccc(Cl)c1.c18ccco1.C17CCCO1.O=C23.N345.N26.C48.C57 |
16938 | Cc1ccc(NC(=O)N(Cc2ccco2)CC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c19ccco1.C18CCCO1.C34=O.N456.N37.C59.C68 |
16939 | O=C(NCc1ccccc1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c19ccccc1.c18ccco1.C17CCCO1.O=C23.N356.N24.C49.C58.C67 |
16940 | O=C(Nc1cccc(F)c1)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16cccc(F)c1.c18ccco1.C17CCCO1.O=C23.N345.N26.C48.C57 |
16941 | CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][S] | C6S(=O)(=O)c1ccc(Cl)cc1.c15ccc6o1.C35=O.CC4.O34 |
16942 | Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S5(=O)=O)cc1.C16CCCC1.C4C3=O.N45.N36 |
16943 | COc1cc(C2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | C17CC(=O)c2cnc(N)nc2C1.c14cc7cc5c16.CO4.O5C.O6C |
16944 | COc1ccccc1NC(=O)N(Cc1ccco1)CC1CCCO1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c14ccccc17.c19ccco1.C18CCCO1.C23=O.N356.CO4.N27.C59.C68 |
16946 | CSc1ccc(NC(=O)N(Cc2ccco2)CC2CCCO2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c1%10ccc7cc1.c19ccco1.C18CCCO1.C34=O.N456.CS%10.N37.C59.C68 |
16947 | CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)n(C)c(=O)n2C)n13.c14cccc(C)c1.CS5.C34 |
16948 | CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 | [C][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16nc2c(c(=O)n(C)c(=O)n2C)n14.c15cccc(C)c1.CC3.S36.C45 |
16951 | CC(C)CCn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CC(C)CC4.N13CCCC1 |
16953 | CCOC(=O)c1ccc(C[S+]([O-])c2ccc(Cl)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][#C] | C6[S+]([O-])c1ccc(Cl)cc1.c15ccc6o1.C35=O.CC4.O34 |
16955 | Cc1ccc(C(CC(=O)N2CCOCC2)c2ccccc2)c(O)c1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][#Branch1][C] | Cc1ccc4c(O)c1C.C45CC3=O.N13CCOCC1.c15ccccc1 |
16956 | COC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC13.c13ccc(Cl)cc1Cl.CO2 |
16957 | Cc1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c17ccco1.C16CCCO1.N345.C37.C46 |
16958 | O=S(=O)(Cc1ccccc1)N(Cc1ccco1)CC1CCCO1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c17ccccc1.O=S4(=O)C7.c16ccco1.C15CCCO1.N234.C26.C35 |
16959 | O=S(=O)(c1ccccc1)N(Cc1ccccc1)Cc1ccco1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | O=S4(=O)c1ccccc1.c16ccccc1.c15ccco1.N234.C26.C35 |
16960 | CC(=O)N(CC(=O)N(Cc1ccco1)CC1CCCO1)C(C)(C)C | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C] | c19ccco1.C18CCCO1.C4C3=O.C7(C)(C)C.CC2=O.N247.N356.C59.C68 |
16961 | CC(=O)N(CC(=O)N(Cc1ccco1)CC1CCCO1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][C][C][Ring1][Ring1] | c19ccco1.C18CCCO1.C4C3=O.CC2=O.N247.N356.C17CC1.C59.C68 |
16962 | CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c19ccccc1.c18ccc(C)o1.C4C3=O.CC2=O.N247.N356.C17CC1.C59.C68 |
16963 | COc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc15.c17nnnn16.c16ccccc1.C2(=O)C4.CO3.N25.S47 |
16964 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1O | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
16967 | Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.C16CCCCC1C.C4CC3=O.N45.N36 |
16968 | COCc1nnc(SC)n1-c1cccc2ccccc12 | [C][O][C][C][=N][N][=C][Branch1][Ring1][S][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.c14nnc6n15.CO3.C34.S6C |
16969 | COC(=O)C1=C(C)NC(=O)CC1c1cccc(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC13.c13cccc(Br)c1.CO2 |
16972 | COc1ccc(CNC(=O)c2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c14ccc7cc1.c16ccccc1F.C36=O.CO4.C57.N35 |
16973 | O=C(Nc1ccc(Br)cc1F)c1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Br)cc1F.c14cccnc1.O=C24.N23 |
16974 | CC(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | S4(=O)(=O)c1ccc5cc1.N15CCCC1=O.CC3(C)C.N34 |
16975 | Cc1ccccc1C(=O)N1CCc2ccccc2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.Cc1ccccc14.C34=O |
16976 | CCOC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1c(C)cc(C)cc1C.N14CCN6CC1.C34=O.CC5.O35 |
16977 | CCOC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C] | c19c6cccc17.C18CCN4CC1.C38=O.C49=O.CC5.O35.O6C.O7C |
16978 | O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccco1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2o1.c15ccc7c(O)c1.c16ccco1.O=C46.N45 |
16979 | CCOc1ccc(C(=O)Nc2ccccn2)cc1Br | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][Br] | c15ccc7cc1Br.c16ccccn1.C37=O.CC4.O45.N36 |
16980 | Cc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CC4)cc1.c14nc2ccccc2s1 |
16981 | O=C(Nc1ccccn1)C(c1ccccc1)c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccn1.c14ccccc1.c15ccccc1.O=C2C45.N23 |
16982 | Cc1ccc(S(=O)(=O)CCc2nc3ccccc3o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)CC4)cc1.c14nc2ccccc2o1 |
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