ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
9941 | CCOC(=O)c1sc2ncn3c(-c4ccco4)nnc3c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][C][=Ring1][=C][C][=Ring1][P][C] | c17sc2ncn3c8nnc3c2c1C.c18ccco1.C57=O.CC6.O56 |
9942 | Cc1cc(NC(=O)NCc2sccc2C)c(C(F)(F)F)o1 | [C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2] | Cc1cc6c8o1.c17sccc1C.C8(F)(F)F.C34=O.N36.N45.C57 |
9943 | Cc1cc(NC(=O)Nc2ccccc2)c(C(F)(F)F)o1 | [C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring1] | Cc1cc5c7o1.c16ccccc1.C7(F)(F)F.C34=O.N35.N46 |
9944 | CCOC(=O)c1sc2ncnc(N3CCCC(C)C3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][=Ring1][S][C] | c17sc2ncnc6c2c1C.N16CCCC(C)C1.C47=O.CC5.O45 |
9945 | Cc1cc(NC(=O)NCc2ccc3c(c2)OCO3)c(C(F)(F)F)o1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1] | c19ccc2c(c1)OCO2.Cc1cc7c8o1.C8(F)(F)F.C45=O.N47.N56.C69 |
9946 | COc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.n18ncc7c1C.c16ccc(F)cc1.C47=O.CO5.N46 |
9947 | Cc1cc(NC(=O)NCc2ccccc2)c(C(F)(F)F)o1 | [C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2] | Cc1cc6c7o1.c18ccccc1.C7(F)(F)F.C34=O.N36.N45.C58 |
9950 | c1ccc(-c2csc3ncnc(NCC4CCCO4)c23)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c18csc2ncnc6c12.c1ccc8cc1.C17CCCO1.N56.C57 |
9951 | Cc1cc(C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][N][=Ring1][=Branch2][=C][Branch1][C][C][O][Ring2][Ring1][C] | Cc1cc5c(C)o1.c14cc6on1.C6(C)(C)C.C35=O.N34 |
9953 | CCc1cc(C(=O)Cn2ccccc2=O)c(O)cc1O | [C][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][Branch1][C][O][C][=C][Ring1][P][O] | c15cc3c(O)cc1O.n14ccccc1=O.C3(=O)C4.CC5 |
9954 | Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)o1 | [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][Branch1][C][C][O][Ring1][P] | c14ccc(F)cc1F.Cc1cc5c(C)o1.C35=O.N34 |
9955 | Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | Cc1cc6c(C)o1.c14ccccc15.N15CCCCC1.C36=O.N34 |
9956 | CC(C)OC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c17ccc6cc1.CC5C.C47=O.O45 |
9957 | CN(Cc1ccccc1)C1=NS(=O)(=O)c2ccccc21 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | CN3C1=NS(=O)(=O)c2ccccc21.c14ccccc1.C34 |
9958 | CCOc1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N5C1=NS(=O)(=O)c2ccccc21.c14ccccc15.CC3.O34 |
9959 | O=S1(=O)N=C(Nc2ccc(Cl)c(Cl)c2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c13ccc(Cl)c(Cl)c1 |
9960 | CC(C)c1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14cccc5c13.CC4C.C5(C)C |
9961 | O=S1(=O)N=C(Nc2ccccc2F)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccc1F |
9962 | COC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N5C1=NS(=O)(=O)c2ccccc21.c16cccc5c1.C46=O.CO4 |
9963 | Cc1cccc(C(C)C)c1NC1=NS(=O)(=O)c2ccccc21 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.Cc1cccc4c13.C4(C)C |
9964 | CCc1cccc(CC)c1NC1=NS(=O)(=O)c2ccccc21 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14cccc5c13.CC4.C5C |
9965 | CCc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N4C1=NS(=O)(=O)c2ccccc21.c15ccc4cc1.CC5 |
9966 | NC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14ccccc13.NC4=O |
9967 | O=S1(=O)N=C(Nc2ccc(Cl)cc2Cl)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c13ccc(Cl)cc1Cl |
9968 | CCc1cccc(C)c1NC1=NS(=O)(=O)c2ccccc21 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14cccc(C)c13.CC4 |
9969 | CC(C)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c15ccc6cc1.CC4C.O45 |
9970 | Cc1sc2ncn(C)c(=O)c2c1-c1ccc(F)cc1 | [C][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc2ncn(C)c(=O)c2c13.c13ccc(F)cc1 |
9971 | O=C(CSc1nccc(-c2cccs2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15nccc6n1.N13CCOCC1.c16cccs1.O=C3C4.S45 |
9972 | CCOC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][Ring1][P][=O] | n16cnc2sc(C)c7c2c1=O.c17ccc(F)cc1.C4(=O)C6.CC5.O45 |
9973 | COC(=O)C(C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][Ring1][P][=O] | n15cnc2sc(C)c6c2c1=O.c16ccc(F)cc1.C4(=O)C5C.CO4 |
9974 | CCn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O | [C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][Ring1][P][=O] | n14cnc2sc(C)c5c2c1=O.c15ccc(F)cc1.CC4 |
9975 | CC(C)NC(=O)CSc1nccc(-c2cccs2)n1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][O] | c16nccc7n1.c17cccs1.C3(=O)C5.CC4C.N34.S56 |
9976 | Cc1sc2ncn(CC(N)=O)c(=O)c2c1-c1ccc(F)cc1 | [C][C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=Ring1][O][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc2ncn3c(=O)c2c14.c14ccc(F)cc1.C3C(N)=O |
9977 | COC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=N][C][Ring1][P][=O] | n15cnc2sc(C)c6c2c1=O.c16ccc(F)cc1.C4(=O)C5.CO4 |
9979 | CCOC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c17cccc6c1.C47=O.CC5.O45 |
9980 | Cc1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2oc(=O)n4c2c1.c15ccc(F)cc1.C45 |
9981 | Cc1cc(C)c(NC2=NS(=O)(=O)c3ccccc32)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | N4C1=NS(=O)(=O)c2ccccc21.Cc1cc(C)c4c(C)c1 |
9982 | Cc1ccc2oc(=O)n(CC(=O)N3CCOCC3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2oc(=O)n5c2c1.N14CCOCC1.C5C4=O |
9983 | O=C(CSc1ncccn1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ncccn1.O=C2C3.S35.N24 |
9985 | Cc1ccc(S(=O)(=O)CCSc2ncccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)CC3)cc1.c14ncccn1.S34 |
9986 | COCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][N] | c16ccc7cc1.C4C3=O.C27=O.C5(C)C.CO4.N36.O25 |
9988 | CCOC(=O)c1c(NC(=O)COC)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=C][C] | c18c6sc7c1C.C3(=O)C5.C28=O.C7(C)=O.CC4.O24.N36.O5C |
9989 | COCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 | [C][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][O] | c16sc2c(c17)CCCC2.C5C4=O.C37=O.CO5.N46.O3C |
9990 | CCOC(=O)c1c(NC(=O)COC)sc2c1CCC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][S][C][=C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c18c7sc2c1CCC(C)C2.C4(=O)C6.C38=O.CC5.O35.N47.O6C |
9991 | CCOC(=O)c1c(NC(=O)COC)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][S][C][Branch1][C][C][=C][Ring1][N][C] | c17c6sc(C)c1C.C3(=O)C5.C27=O.CC4.O24.N36.O5C |
9992 | CCOC(=O)c1sc(NC(=O)COC)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][O][C] | c17sc6nc1C.C3(=O)C5.C27=O.CC4.O24.N36.O5C |
9993 | CCc1ccccc1Cn1c(=O)oc2cccnc21 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2] | n13c(=O)oc2cccnc21.c14ccccc15.CC4.C35 |
9994 | COCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2 | [C][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#Branch2][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][Ring1][N] | c16sc2c(c17)CCC(C)C2.C5C4=O.C37=O.CO5.N46.O3C |
9995 | COCC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O] | c15sc2c(c16)CCC(C)C2.C4C3=O.C6(N)=O.CO4.N35 |
9997 | COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c15nc2ccc(S(C)(=O)=O)cc2s1.C4C3=O.CO4.N35 |
9999 | COCC(=O)Nc1ccc(C)cc1Br | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br] | c14ccc(C)cc1Br.C3C2=O.CO3.N24 |
10001 | COCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c17ccc(S5(=O)=O)cc1.c16ccccn1.C4C3=O.CO4.N37.N56 |
10003 | COc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18ccc(F)cc1.C4(=O)C5.C38=O.CO6.N47.O35 |
10004 | COc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19ccccc17.C4(=O)C5.C39=O.CO6.N48.O35.O7C |
10005 | COc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc9cc17.c18cc(C)ccc1C.C5C4=O.C39=O.CO6.O35.N48.O7C |
10006 | Cc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][=Ring1][=Branch2][C][=N][O][Ring2][Ring1][C] | c15cc6oc1C.Cc1cc4no1.C6(C)(C)C.C35=O.N34 |
10007 | COc1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][=Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc9cc15.c17cc8oc1C.C8(C)(C)C.C37=O.CO4.C69.N36.O5C |
10008 | Cc1nc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc1C | [C][C][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][S][C][=Ring2][Ring1][=Branch1][C] | c16ccc2c(C)cc(=O)oc2c1.Cc1nc7sc1C.C4(=O)C5.N47.O56 |
10009 | Cc1cc(=O)oc2cc(OCC(=O)Nc3nncs3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S] | Cc1cc(=O)oc2cc6ccc12.c17nncs1.C5C4=O.O56.N47 |
10010 | Cc1cc(C)cc(OCC(=O)Nc2nc(C)c(C)s2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.c16nc(C)c(C)s1.C4C3=O.O45.N36 |
10011 | Cc1ccc(OCC(=O)Nc2nc(C)c(C)s2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c16nc(C)c(C)s1.C4C3=O.O45.N36 |
10012 | CC(=O)c1sc(NC(=O)COc2ccc(C)c(C)c2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=Ring2][Ring1][C][C] | c15ccc(C)c(C)c1.c17sc6nc1C.C3(=O)C4.CC7=O.N36.O45 |
10013 | O=C(COc1cccc(Cl)c1)Nc1nnc(C2CCCO2)s1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2] | c15cccc(Cl)c1.c16nnc7s1.C17CCCO1.O=C3C4.O45.N36 |
10014 | Cc1cccc(C)c1OCC(=O)Nc1nnc(C2CCCO2)s1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2] | Cc1cccc(C)c15.c16nnc7s1.C17CCCO1.C4C3=O.O45.N36 |
10015 | O=C(COc1ccc(-c2ccccc2)cc1)Nc1nncs1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=N][N][=C][S][Ring1][Branch1] | c15ccc7cc1.c17ccccc1.c16nncs1.O=C3C4.O45.N36 |
10016 | CCc1ccccc1OCC(=O)Nc1nnc(C2CCCO2)s1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2] | c17ccccc15.c16nnc8s1.C18CCCO1.C4C3=O.CC7.O45.N36 |
10017 | COc1ccccc1OCC(=O)Oc1ccc(Br)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Br)cc1.C3C2=O.CO4.O35.O26 |
10018 | COc1ccccc1OCC(=O)Oc1ccc(C(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c14ccccc15.c16ccc7cc1.C3C2=O.C7(C)=O.CO4.O35.O26 |
10019 | COc1ccc(C2C(C(=O)OCC(C)C)=C(C)Nc3nnnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16ccc(C2C(C4=O)=C(C)Nc3nnnn32)cc1.C5C(C)C.CO6.O45 |
10021 | COc1ccccc1NC(=O)Nc1ccc(CC#N)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2] | c14ccccc15.c16ccc7cc1.C23=O.C7C#N.CO4.N25.N36 |
10022 | CC(=O)c1cc(C)ccc1OC(=O)c1cccnc1 | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cc(C)ccc13.c15cccnc1.CC4=O.C25=O.O23 |
10023 | CCOC(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n18cnc2sc7c(C)c2c1=O.C3(=O)C8.C47=O.C6(C)C.CC5.O35.O46 |
10024 | COC(=O)C(C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n17cnc2sc6c(C)c2c1=O.C3(=O)C7C.C46=O.C5(C)C.CO3.O45 |
10025 | CCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2sc5c(C)c2c1=O.C35=O.C4(C)C.CC6.O34 |
10026 | CCCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][C][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2sc5c(C)c2c1=O.CCC6.C35=O.C4(C)C.O34 |
10027 | Cc1c(C(=O)OC(C)C)sc2ncn(C)c(=O)c12 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][P][=Ring1][Branch2] | Cc1c5sc2ncn(C)c(=O)c12.C35=O.C4(C)C.O34 |
10028 | C=CCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][=C][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2sc5c(C)c2c1=O.C=CC6.C35=O.C4(C)C.O34 |
10029 | CC(=O)C(C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2sc5c(C)c2c1=O.CC(=O)C6C.C35=O.C4(C)C.O34 |
10030 | Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1cccnc1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1nc6c7c14.c17ccccc1.c15cccnc1.C6(F)(F)F.C35=O.N34 |
10031 | Cc1c(C(=O)OC(C)C)sc2ncn(CC(C)C)c(=O)c12 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][O] | Cc1c5sc2ncn6c(=O)c12.C6C(C)C.C35=O.C4(C)C.O34 |
10032 | O=C(Cn1nnc2ccccc21)NCc1ccccc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc2ccccc21.c16ccccc1.O=C3C5.N34.C46 |
10033 | Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | n16nnc2ccccc21.Cc1ccc5cc1.C4(=O)C6.N45 |
10034 | COc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | n17nnc2ccccc21.c15ccc6cc1.C4(=O)C7.CO5.N46 |
10035 | O=C(Cn1nnc2ccccc21)Nc1ccc(Cl)cc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n15nnc2ccccc21.c14ccc(Cl)cc1.O=C3C5.N34 |
10036 | C=CCn1nnc2sc3c(c2c1=O)CCC(C)C3 | [C][=C][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n14nnc2sc3c(c2c1=O)CCC(C)C3.C=CC4 |
10038 | CC1CCc2c(sc3nnn(CC(N)=O)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][N][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][Ring2][Ring1][C] | CC1CCc2c(sc3nnn4c(=O)c23)C1.C4C(N)=O |
10039 | CCC(C)OC(=O)Cn1nnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n16nnc2sc3c(c2c1=O)CCC(C)C3.CCC5C.C4(=O)C6.O45 |
10041 | NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 | [N][C][=Branch1][C][=O][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n14nnc2sc3c(c2c1=O)CCCC3.NC(=O)C4 |
10042 | O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nnc2sc3c(c2c1=O)CCCC3.c15ccccc1.O=C4C6.N45 |
10043 | O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] | n15nnc2sc3c(c2c1=O)CCCC3.N14CCCCC1.O=C4C5 |
10044 | CC1CCN(C(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1] | n16nnc2sc3c(c2c1=O)CCCC3.CC1CCN5CC1.C5(=O)C6 |
10045 | O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] | n15nnc2sc3c(c2c1=O)CCCC3.N14CCOCC1.O=C4C5 |
10046 | O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)NC1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | n16nnc2sc3c(c2c1=O)CCCC3.C15CCCCC1.O=C4C6.N45 |
10048 | CCc1cc2c(=O)n(CC(=O)OC)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=N][C][=Ring1][N][S][Ring1][#C] | c15cc2c(=O)n4cnc2s1.C4C3=O.CC5.O3C |
10049 | CCc1cc2c(=O)n(CC(=O)OC3CCCCC3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=Ring1][P][S][Ring2][Ring1][Ring2] | c17cc2c(=O)n6cnc2s1.C15CCCCC1.C6C4=O.CC7.O45 |
10050 | CCc1cc2c(=O)n(C(C)C(=O)OC)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=N][C][=Ring1][=N][S][Ring1][S] | c15cc2c(=O)n4cnc2s1.C4(C)C3=O.CC5.O3C |
10051 | CCc1cc2c(=O)n(Cc3ccc(F)cc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c15cc2c(=O)n4cnc2s1.c16ccc(F)cc1.CC5.C46 |
10052 | CCc1cc2c(=O)n(CCc3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c15cc2c(=O)n4cnc2s1.c16ccccc1.C4C6.CC5 |
10053 | CCOC(=O)Cn1cnc2sc(CC)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc6cc2c1=O.C3(=O)C5.CC4.O34.C6C |
10054 | CCc1cc2c(=O)n(C(CC)C(=O)OC(C)C)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=N][C][=Ring1][S][S][Ring2][Ring1][Ring1] | c16cc2c(=O)n5cnc2s1.C5(CC)C3=O.C4(C)C.CC6.O34 |
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