ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29739 | O=C(CCC1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N13CCN4CC1.c15ccccc1F.O=C3CC6.C16CCCC1.C45=O |
29741 | O=C(Nc1ccc2c(c1)OCCO2)c1cccc2ccccc12 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c15cccc2ccccc12.O=C35.N34 |
29742 | CC(=O)Oc1ccccc1-c1nc(C)nn1C(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Branch1][C][C][=O] | c14nc(C)nn1C(C)=O.c13ccccc14.CC2=O.O23 |
29745 | CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c18cc2ccccc2o1.c16ccc7cc1.CCC4=O.C58=O.N46.N57 |
29746 | CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
29747 | CCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
29751 | CCOc1cccc(C(=O)Nc2ccc(F)cc2)c1 | [C][C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16ccc(F)cc1.C37=O.CC4.O45.N36 |
29752 | Fc1ccccc1Cn1nnc(-c2ccccc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | Fc1ccccc14.n13nnc5n1.c15ccccc1.C34 |
29754 | CCOc1cccc(C(=O)Nc2ccc(NC(=O)CC)cc2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c16cccc9c1.c17ccc8cc1.C4(=O)CC.C39=O.CC5.O56.N37.N48 |
29755 | Cc1cc(F)c(F)c(C(=O)N2CCCCC2C)c1Cl | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | Cc1cc(F)c(F)c4c1Cl.N13CCCCC1C.C34=O |
29756 | CCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C] | c15ccc6c(Cl)c1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
29757 | CNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16cnn8c15.c17ccc(C)cc1.c18ccccc1.C36=O.C47=O.CN3.N45 |
29760 | CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c18cc2ccccc2o1.c16ccc7cc1.CC4=O.C58=O.N46.N57 |
29761 | CC1CCCCN1C(=O)c1cc(F)c(F)cc1Cl | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c13cc(F)c(F)cc1Cl.CC1CCCCN12.C23=O |
29762 | CCOc1ccc(-n2nc3ccc(NC(=O)CC)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][Ring1][O][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | n18nc2ccc7cc2n1.c16ccc8cc1.C4(=O)CC.CC5.O56.N47 |
29763 | O=C(COc1ccc(Br)cc1)Nc1ccccn1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Br)cc1.c15ccccn1.O=C2C3.O34.N25 |
29764 | COc1ccc(C(=O)Nc2cc(C)ccn2)cc1Br | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][Br] | c14ccc6cc1Br.c15cc(C)ccn1.C36=O.CO4.N35 |
29765 | CCCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 | [C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Ring1][#C] | c15ccc2nn6nc2c1.c16ccccc1.CCCC4=O.N45 |
29766 | CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c16ccc7cc1.c18ccc5cc1.CCCC3=O.C48=O.N36.N47.O5C |
29767 | CCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc6c1.c17ccc(F)cc1.CCC3=O.C47=O.N35.N46 |
29769 | Cc1ccc(OCC(=O)Nc2ccccc2C(N)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5c(C)c1.c16ccccc17.C4C3=O.C7(N)=O.O45.N36 |
29770 | Cc1ccc(C(=O)Cn2c3ccccc3n3ncnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | n15c2ccccc2n2ncnc12.Cc1ccc4cc1.C4(=O)C5 |
29771 | Cc1ccc(OCC(=O)NCc2ccc(F)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c17ccc(F)cc1.C4C3=O.O45.N36.C67 |
29772 | NC(=O)CNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][#C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc(C#CC2(O)CCCCC2)cc1.NC(=O)C4.C35=O.N34 |
29774 | Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccco1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17c(F)cccc1Cl.Cc1onc7c15.c16ccco1.C35=O.N34.C46 |
29776 | CC(=O)N=c1sccn1CC(=O)c1ccc(O)cc1 | [C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | CC(=O)N=c1sccn13.c12ccc(O)cc1.C3C2=O |
29777 | COc1ccc(NC(=O)c2ccc(C#CC(C)(C)O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][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][Branch1] | c16ccc(C#CC(C)(C)O)cc1.c14ccc5cc1.C36=O.CO4.N35 |
29778 | Cc1ccc(Br)cc1S(=O)(=O)N1CCCCC1 | [C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cc1ccc(Br)cc1S2(=O)=O.N12CCCCC1 |
29779 | COc1ccc(-c2cn3c4ccccc4n(N)c3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][Ring1][#Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16cn2c3ccccc3n(N)c2n1.c15ccc6cc1.CO5 |
29780 | Cc1ccc(OCC(=O)Nc2ccccc2CO)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c16ccccc17.C4C3=O.O45.N36.C7O |
29781 | Cc1nc2n(CC(=O)N3CCOCC3)c3ccccc3n2n1 | [C][C][N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Cc1nc2n5c3ccccc3n2n1.N14CCOCC1.C5C4=O |
29782 | Cc1ccc(OCC(=O)NCc2ccccn2)c(C)c1 | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c17ccccn1.C4C3=O.O45.N36.C67 |
29784 | Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C] | Cc1ccc(S3(=O)=O)cc1C.N13CCC(C)CC1 |
29785 | CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | CC(C)(O)C#Cc1ccc6cc1.c17ccc2c(c1)OCO2.C46=O.N45.C57 |
29786 | CC1CC(C)CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1] | n15cnc2c1c(=O)n(C)c(=O)n2C.CC1CC(C)CN4C1.C4(=O)C5 |
29787 | CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1C | [C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c18cc3c4c5c1.c17ccccc1C.N267.C28=O.CC6.O3C.O4C.O5C |
29789 | CCOC(=O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Branch1][P][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][S] | C3(=O)CC1=Nn2c5nnc2SC1.c15ccc(Cl)cc1.CC4.O34 |
29790 | O=C1CCC(C(=O)Nc2cccc3ccccc23)N1 | [O][=C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][C] | c15cccc2ccccc12.O=C1CCC6N1.C46=O.N45 |
29792 | Cc1cc(C)cc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] | Cc1cc6cc(C)c1.c17ccccc1.C3(=O)C4.S5(C)(=O)=O.N457.N36 |
29793 | COC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c17ccc6cc1.C47=O.C58=O.CO4.N56 |
29794 | Cc1ccccc1N(CC(=O)NCc1ccccn1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc16.c17ccccn1.C3C2=O.S5(C)(=O)=O.N356.N24.C47 |
29795 | N#Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O | [N][#C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c14cc2ccccc2oc1=O.N#Cc1cn3nc14.c13ccccc1 |
29796 | Cc1cccc(-n2ncc3c(N4CCCC4)ncnc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][Ring2] | n16ncc2c5ncnc21.Cc1cccc6c1.N15CCCC1 |
29797 | Cc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][N][=C][Branch1][C][C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][=C][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)nc6n1.n16nc(C)c4c1C.c15ccccc1O.O45 |
29799 | Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Cl)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14ccccc1Cl.C5C3=O.N34 |
29802 | COc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc6cc1.c17ccccc1.S5(=O)(=O)C7.CO3.C46.N45 |
29803 | CC1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | n15cnc2c1c(=O)n(C)c(=O)n2C.CC1CN4CC(C)O1.C4(=O)C5 |
29804 | CNC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1 | [C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C=5N3.c14ccccc1.C1=5CCCCC1.C34=O.CN2 |
29805 | O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14cccc(F)c1.O=C35.N34 |
29807 | Cc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cc1ccccc14.C35=O.N34 |
29809 | CC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n17c(C)c5c6c1C.c14ccc7cc1.CC3=O.C5(C)=O.C6(C)=O.N34 |
29810 | CCOC(=O)c1c(CC(C)C)csc1NC(=O)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][S][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c17c8csc15.C8C(C)C.C27=O.C36=O.C16CC1.CC4.O24.N35 |
29811 | Cc1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring1] | C14(C#N)C(=O)Nc2ccccc21.Cc1ccc5cc1.N45 |
29812 | CCOC(=O)c1c(C)n(C)c2c1cc(OC(C)=O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c17c(C)n(C)c2c1cc6c1ccccc12.C37=O.C4(C)=O.CC5.O35.O46 |
29814 | CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21 | [C][C][O][N][C][=Branch1][C][=O][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][Ring2][Ring1][Ring2] | O3n1c(=O)c(=O)n(O4)c2ccccc21.c15ccccc1.CC3.C45 |
29815 | COC(=O)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c17cc(=O)[nH]c2ccccc12.c16ccccc15.C36=O.C47=O.CO3.N45 |
29816 | Brc1ccc(-c2nc(-c3ccncc3)no2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | Brc1ccc4cc1.c14nc5no1.c15ccncc1 |
29817 | CC(=O)c1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Branch1][C][N][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18nnc2n(N)cnn12.c17ccc6cc1.C4(=O)C5.CC7=O.N46.S58 |
29819 | Cn1ccnc1SCC(=O)Nc1ccc(Br)cn1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c14ccc(Br)cn1.Cn1ccnc15.C3C2=O.S35.N24 |
29820 | Clc1ccccc1-c1nc(-c2cccnc2)no1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | Clc1ccccc13.c13nc4no1.c14cccnc1 |
29821 | CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2s1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c18nc2ccccc2s1.c16[nH]c(=O)[nH]c17.C36=O.CC4.O34.C57.S58 |
29822 | Brc1ccccc1-c1nc(-c2ccncc2)no1 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | Brc1ccccc13.c13nc4no1.c14ccncc1 |
29823 | O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cn1.c14ccc(Cl)cc1.O=C24.N23 |
29824 | NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | NS(=O)(=O)c1csc5c1.c14ccccc1.C35=O.N34 |
29825 | Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c17ccc(S5(=O)=O)cc1.Cc1cccc6c1.N15CCCC1.C47=O.N46 |
29826 | CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][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] | S4(=O)(=O)c1ccc6cc1.c15ccc(F)cc1F.CN4C.C36=O.N35 |
29827 | Cc1ccc(OCC(=O)Nc2ccc(O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c16ccc(O)cc1.C4C3=O.O45.N36 |
29828 | NS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] | NS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1 |
29829 | Cc1ccc(OCC(=O)Nc2cccc(O)c2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c16cccc(O)c1.C4C3=O.O45.N36 |
29830 | O=c1c(N2CCOCC2)nsnc1N1CCOCC1 | [O][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][S][N][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | O=c1c3nsnc14.N13CCOCC1.N14CCOCC1 |
29831 | COc1cc(C(=O)NC(C)C2CC3CCC2C3)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc9cc6c17.C1%10CC2CCC1C2.C49=O.C8%10C.CO5.N48.O6C.O7C |
29833 | Cc1cc(C)n(-c2nc(C)nc(NCc3ccccc3)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][N][=Ring2][Ring1][Branch1] | c17nc5nc(C)n1.Cc1cc(C)n7n1.c16ccccc1.N45.C46 |
29835 | Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][S][S][Branch1][C][N][=Branch1][C][=O][=O] | Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O |
29836 | CCN(CC)S(=O)(=O)c1cc(C(N)=O)ccc1Cl | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][Cl] | S4(=O)(=O)c1cc5ccc1Cl.N234.C5(N)=O.CC2.C3C |
29837 | COc1ccc(C(=O)c2c(C)oc3ccc(O)cc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c17c(C)oc2ccc(O)cc12.c14ccc6c5c1.C67=O.CO4.O5C |
29838 | CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cn7nc18.c17ccccc1.c18ccccc1.N345.C36=O.CC4.C5C |
29839 | COc1ccc2oc(C)c(C(O)c3ccccc3)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2oc(C)c5c2c1.c16ccccc1.C56O.CO4 |
29840 | COC(=O)COC(=O)c1c(Cl)ccc(Cl)c1OC | [C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C] | c16c(Cl)ccc(Cl)c15.C2(=O)C4.C36=O.CO2.O34.O5C |
29841 | CC(=O)c1ccc(NCCC(=O)c2cccs2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | c16ccc4cc1.C3CC5=O.c15cccs1.CC6=O.N34 |
29842 | CC(NS(=O)(=O)N(C)C)c1ccc(-c2ccccc2)cc1 | [C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | N3S(=O)(=O)N(C)C.c14ccc5cc1.c15ccccc1.CC34 |
29843 | Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br | [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][Br] | Cc1cc5ccc1Br.c16ccncc1.C4C3=O.O45.N36 |
29844 | Cc1occc1C(=O)Nc1cccc2ccccc12 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ccccc12.Cc1occc15.C35=O.N34 |
29845 | Cc1cc(C(=O)Nc2cccc3ccccc23)co1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][O][Ring2][Ring1][C] | c15cccc2ccccc12.Cc1cc6co1.C46=O.N45 |
29846 | COC(=O)c1ccc(OCc2cc(C(=O)OC)oc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C][=Ring1][=Branch2][C][C][=C][Ring2][Ring1][C] | c18ccc6cc1.c19cc7oc1C.C38=O.C47=O.CO3.O56.C59.O4C |
29847 | Cc1ccc(OCC(O)Cn2cnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n16cnc2ccccc21.Cc1ccc5cc1.C4C(O)C6.O45 |
29848 | OC(COc1ccccc1Cl)Cn1cnc2ccccc21 | [O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14ccccc1Cl.OC(C3)C5.O34 |
29849 | Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4c(C)c1.c16nnnn15.c15ccccc1.C4(=O)C3.S36 |
29850 | CC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccccc15.c16cccc(F)c1.CC2=O.C36=O.N24.N35 |
29851 | O=C(c1cccc(F)c1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15cccc(F)c1.N13CCN4CC1.c14ccccc1.O=C35 |
29853 | Cc1nc2ccccc2n1CC(O)COc1ccccc1Cl | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nc2ccccc2n15.c14ccccc1Cl.C5C(O)C3.O34 |
29854 | COc1ccc(CCNC(=O)c2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c16cccc(F)c1.C7C5.C36=O.CO4.N35 |
29855 | Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][Branch1][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.Cc1cccc(C)c15.C3(=O)C4.N35.S46 |
29856 | Cc1oc(C(=O)Nc2ccc(O)cc2)cc1COc1ccccc1 | [C][C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=Ring1][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1oc7cc18.c16ccc(O)cc1.c15ccccc1.C37=O.N36.C48.O45 |
29857 | COc1cc(NC(=O)c2ccc(F)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14cc5cc6c1.c17ccc(F)cc1.C37=O.CO4.N36.O5C |
29858 | CC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccccc1.C3CC6=O.CC5=O.N34 |
29859 | CC(=O)Nc1cccc(-c2csc(Nc3ncccn3)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][C] | c17cccc8c1.c18csc5n1.c16ncccn1.CC4=O.N47.N56 |
29860 | CCC(=O)Nc1cccc(-c2cn3ccccc3n2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][#C] | c16cn2ccccc2n1.c15cccc6c1.CCC4=O.N45 |
29861 | O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c16ncn5n1.c15ccccc1.c14cccs1.O=C4C3.S36 |
29862 | O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(s1)C(=O)CCC2.c15ccccc1.O=C35.N34 |
29863 | O=C(c1cccnc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c16cccc(Cl)c1.c15cccnc1.O=C35.C46=O |
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