ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7865 | Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn4c(=O)c2noc(C)c12.c14cc3ccc1Cl.C3(F)(F)F |
7866 | CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c17sc6nc1C.c18ccc(Cl)cc1.C37=O.C48=O.CC5.O35.N46 |
7868 | CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1 | [C][C][O][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] | c16ccc2c(C)cc(=O)oc2c1.C3(=O)C5.CC4.O34.O56 |
7869 | Cc1cc(=O)oc2cc(OCC(=O)NC3CCCCC3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2cc6ccc12.C17CCCCC1.C5C4=O.O56.N47 |
7871 | Cc1n[nH]c(C)c1Sc1ccc(C(F)(F)F)cn1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | Cc1n[nH]c(C)c14.c13ccc2cn1.C2(F)(F)F.S34 |
7872 | COC(=O)C(NC(=O)c1ccccc1Br)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C] | C2(=O)C4C(C)C.c15ccccc1Br.C35=O.CO2.N34 |
7873 | CC(=O)n1nc(C)c(Sc2ccc(C(F)(F)F)cn2)c1C | [C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring1][P][C] | CC(=O)n1nc(C)c5c1C.c14ccc3cn1.C3(F)(F)F.S45 |
7874 | COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15ccc7cc1.C36=O.C7(C)=O.CO4.N35 |
7875 | COc1ccccc1C(=O)Nc1ccc(C(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c13ccccc15.c14ccc6cc1.C25=O.C6(C)=O.CO3.N24 |
7877 | O=C(NCc1ccco1)c1ccccc1Br | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c15ccco1.O=C24.N23.C35 |
7878 | Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ncccn1 | [C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][#C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cc1nn(C3=O)c(C)c15.c13ccc(Cl)cc1.c14ncccn1.S45 |
7879 | Cc1ccc(C(=O)n2nc(C)c(Sc3ncccn3)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][#Branch2][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][C][=C][Ring2][Ring1][=Branch1] | C4(=O)n1nc(C)c6c1C.Cc1ccc4cc1.c15ncccn1.S56 |
7880 | CCn1nc(C)cc1C(=O)n1nc(C)c(Sc2ncccn2)c1C | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][#Branch2][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C] | C3(=O)n1nc(C)c6c1C.n14nc(C)cc13.c15ncccn1.CC4.S56 |
7884 | CCn1nc(C)cc1C(=O)n1nc(C)c(Sc2nccn2C)c1C | [C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][=N][C] | C3(=O)n1nc(C)c6c1C.n14nc(C)cc13.c15nccn1C.CC4.S56 |
7885 | CCOC(=O)c1cc(-c2csc(COc3ccccc3)n2)on1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][O][N][=Ring2][Ring1][C] | c18cc%10on1.c1%10csc9n1.c17ccccc1.C48=O.CC5.O45.C69.O67 |
7886 | O=C(COc1ccc(Br)cc1)NCc1ccccc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Br)cc1.c16ccccc1.O=C2C3.O34.N25.C56 |
7888 | COCc1cc(N(C)C)nc(-c2csc(C)n2)n1 | [C][O][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][#C] | c15cc4nc6n1.c16csc(C)n1.N4(C)C.CO3.C35 |
7890 | CCOC(=O)c1nc(-c2ccccc2)sc1C(C)=O | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][Branch1][C][C][=O] | c15nc7sc16.c17ccccc1.C35=O.C6(C)=O.CC4.O34 |
7891 | CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c17cccc6c1.c15ccc(Cl)cc1.C3(=O)C4.CC7=O.N36.O45 |
7892 | CCOC(=O)c1cc(-c2ccnn2C(=O)c2ccccc2)on1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][C] | c17ccnn1C6=O.c15cc7on1.c16ccccc1.C35=O.CC4.O34 |
7893 | Cc1nn(-c2ccc(Cl)cc2)c(=O)c2c(C)noc12 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][Ring2][Ring1][C][=Ring1][=Branch1] | Cc1nn3c(=O)c2c(C)noc12.c13ccc(Cl)cc1 |
7894 | COc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][Branch1][C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n15nc(C)c2onc(C)c2c1=O.c14ccc5cc1.CO4 |
7895 | CC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c6cc(=O)oc2c1.c16ccccc1.CC4=O.O45 |
7896 | Cc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][Branch1][C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n14nc(C)c2onc(C)c2c1=O.Cc1ccc4cc1 |
7897 | CCOC(=O)c1c(C)noc1-c1csc(COc2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][S][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] | c17c(C)noc19.c19csc8n1.c16ccccc1.C37=O.CC4.O34.C58.O56 |
7902 | Cc1nc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)no2)cs1 | [C][C][=N][C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][O][Ring1][P][=C][S][Ring2][Ring1][=Branch1] | c17ccc(Cl)cc1.Cc1nc5cs1.c15cc6no1.c16nc7no1 |
7903 | CCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 | [C][C][O][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] | c15ccc7cc1.c18ccc6cc1.C38=O.CC4.O45.N37.O6C |
7905 | COC(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c17ccc5cc1.c16cccs1.C37=O.C46=O.CO3.N45 |
7906 | CC(O)c1cc(-c2ccc(Cl)cc2Cl)no1 | [C][C][Branch1][C][O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][=N] | c14ccc(Cl)cc1Cl.c13cc4no1.CC3O |
7907 | COC(=O)c1cccc(NC(=O)COc2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c18cccc7c1.c16ccccc1.C4(=O)C5.C38=O.CO3.N47.O56 |
7908 | Cc1nc2ccccn2c1-c1ccnn1C(=O)c1ccno1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1] | Cc1nc2ccccn2c14.c14ccnn1C3=O.c13ccno1 |
7909 | COC(=O)C(NC(=O)Nc1ccccc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | C2(=O)C5C(C)C.c16ccccc1.C34=O.CO2.N35.N46 |
7910 | COC(=O)C(CC(C)C)NC(=O)Nc1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C5CC(C)C.c16ccccc1.C34=O.CO2.N35.N46 |
7911 | CC(=O)n1nccc1-c1cc(-c2ccccc2)no1 | [C][C][=Branch1][C][=O][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | CC(=O)n1nccc13.c13cc4no1.c14ccccc1 |
7913 | Cc1onc(-c2ccccc2)c1-c1ccnn1C(=O)NC(C)C | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16ccnn1C3=O.Cc1onc5c16.c15ccccc1.C4(C)C.N34 |
7914 | O=C(c1ccno1)n1nccc1-c1cc(-c2ccccc2)no1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | O=C3n1nccc14.c14cc5no1.c15ccccc1.c13ccno1 |
7918 | COc1ccc(OCC(=O)Nc2ccc(O)cc2)cc1 | [C][O][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] | c15ccc6cc1.c17ccc(O)cc1.C4C3=O.CO5.O46.N37 |
7919 | CCc1ccc(OCC(=O)Nc2nccs2)cc1 | [C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | c17ccc5cc1.c16nccs1.C4C3=O.CC7.O45.N36 |
7923 | COc1ccc(OCC(=O)NC2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.C17CCCCC1.C4C3=O.CO5.O46.N37 |
7925 | Cc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][=N][=N][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1Cl.Cc1nccc4n1.c14cc5no1 |
7926 | Nc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 | [N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][=N][=N][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1Cl.Nc1nccc4n1.c14cc5no1 |
7927 | CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 | [C][C][O][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] | c18c6sc2c1CCCC2.c17ccco1.C38=O.C47=O.CC5.O35.N46 |
7928 | CC(=O)c1cc(-c2cccc(C(F)(F)F)c2)no1 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][O][Ring1][#C] | c15cccc4c1.c13cc5no1.C4(F)(F)F.CC3=O |
7929 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccccc1Cl.CO2 |
7930 | Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1 | [N][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][O][Ring1][#C][=N][Ring2][Ring1][Branch1] | Nc1nccc5n1.c16cccc4c1.c15cc6no1.C4(F)(F)F |
7932 | COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2c(=O)c6coc2c1.c16ccc2c(c1)OCCO2.CO5 |
7933 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccccc1.CC3.O23 |
7935 | O=c1c2cnn(-c3ccccc3)c2cnn1-c1ccccc1 | [O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2cnn4c2cnn15.c14ccccc1.c15ccccc1 |
7936 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C(=O)OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc5cc1.C35=O.CC4.O24.O3C |
7938 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cccc(O)c1.CO2 |
7940 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OCC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC16.c16ccc(O)c5c1.CC3.O23.O45.C4C |
7941 | CCOC(=O)c1sc2nc(C(F)(F)F)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=Ring1][N][C] | c15sc2nc6nn2c1C.C6(F)(F)F.C35=O.CC4.O34 |
7942 | Cc1noc2ncnc(SCC(=O)C(C)(C)C)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][Ring1][=C] | Cc1noc2ncnc4c12.C3C(=O)C(C)(C)C.S34 |
7943 | Cc1noc2ncnc(SCC(=O)c3ccc(Cl)cc3)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][Ring1][P] | Cc1noc2ncnc6c12.c15ccc(Cl)cc1.C4C5=O.S46 |
7944 | Cc1noc2ncnc(SCc3ccc(Cl)cc3)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][Ring1][#C] | Cc1noc2ncnc6c12.c15ccc(Cl)cc1.S46.C45 |
7945 | Cc1ccc(CSc2ncnc3onc(C)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ncnc2onc(C)c12.Cc1ccc5cc1.C45.S46 |
7947 | COc1ccc(-c2csc(-c3c(C)noc3N)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][S][C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c16c(C)noc1N.c15csc6n1.CO4 |
7948 | CC(=O)c1ccc2c(N)c(C(=O)Nc3ccccc3)sc2n1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | c16ccc2c(N)c7sc2n1.c15ccccc1.CC6=O.C47=O.N45 |
7949 | CC(=O)c1ccc(C#N)c(SCC(=O)Nc2ccccc2Cl)n1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Ring2] | c16ccc(C#N)c7n1.c15ccccc1Cl.C4C3=O.CC6=O.S47.N35 |
7950 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)N(C)C(=O)NC15.c15ccccc14.CC3.O23.O4C |
7954 | Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)nn3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][=Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c16sc2nc7nn2c1C.Cc1ccc5cc1.C7(F)(F)F.C46=O.N45 |
7955 | Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | [N][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Nc1nc2nc4cc5n2n1.c14ccccc1.c15ccccc1 |
7956 | COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=Ring1][O] | c15c(C)nc(C)c2c(=O)oc3ccccc3c12.C45=O.CO4 |
7957 | COC(=O)c1cc(=O)n2c(-c3ccccc3)nnc2s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][S] | c15cc(=O)n2c6nnc2s1.c16ccccc1.C45=O.CO4 |
7958 | CCOC(=O)c1cc(=O)n2c(nc3ccccc32)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring1][=C] | c16cc(=O)n2c(nc3ccccc32)s1.C46=O.CC5.O45 |
7959 | COC(=O)c1cc(=O)n2c(nc3ccccc32)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring1][=C] | c15cc(=O)n2c(nc3ccccc32)s1.C45=O.CO4 |
7960 | CC(=O)c1c(-c2cccc(Cl)c2Cl)noc1C | [C][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C] | c14cccc(Cl)c1Cl.c13c4noc1C.CC3=O |
7961 | CSc1nc(N)nc(COc2ccccc2Cl)n1 | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][S] | c16nc5nc(N)n1.c14ccccc1Cl.CS6.C35.O34 |
7962 | COc1ccc(OCc2nc(N)nc(SC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=N][C][Branch1][C][N][=N][C][Branch1][Ring1][S][C][=N][Ring1][=Branch2][C][=C][Ring1][P] | c16nc7nc(N)n1.c14ccc5cc1.CO4.O35.C36.S7C |
7963 | Cc1cc(-c2nnc(-c3ccc(C(F)(F)F)cn3)o2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16ccc4cn1.Cc1cc5no1.c15nnc6o1.C4(F)(F)F |
7964 | CCOC(=O)c1cnc2cc(OC(=O)c3ccccc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][C][=Ring2][Ring1][C][C] | c18cnc2cc7nn2c1C.c19ccccc1.C48=O.C59=O.CC6.O46.O57 |
7965 | Cc1cc(-c2ccccc2)nc2c(Br)c(=O)[nH]n12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][N][Ring1][P][Ring1][#Branch1] | Cc1cc3nc2c(Br)c(=O)[nH]n12.c13ccccc1 |
7966 | CCOC(=O)c1csc(-c2ccc(C(F)(F)F)cn2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=N][Ring1][#C] | c17ccc6cn1.c15csc7n1.C6(F)(F)F.C35=O.CC4.O34 |
7968 | Cc1n[nH]c(C)c1Sc1nnnn1-c1ccccc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1n[nH]c(C)c14.c13nnnn12.c12ccccc1.S34 |
7969 | CC(=O)n1nc(C)c(Sc2nnnn2-c2ccccc2)c1C | [C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | CC(=O)n1nc(C)c5c1C.c14nnnn13.c13ccccc1.S45 |
7970 | CSc1nc(COc2ccccc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring1][#C][C][#N] | c16nc5nc(N)c1C#N.c14ccccc1.CS6.C35.O34 |
7971 | CSc1nc(COc2ccccc2Cl)nc(N)c1C#N | [C][S][C][=N][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Branch1][C][N][=C][Ring1][S][C][#N] | c16nc5nc(N)c1C#N.c14ccccc1Cl.CS6.C35.O34 |
7972 | Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S3(=O)=O)cc1.N13CCC4CC1.C4(F)(F)F |
7973 | CCc1nnc2c3c4c(sc3nc(C)n12)CCCC4 | [C][C][C][=N][N][=C][C][C][=C][Branch1][#C][S][C][=Ring1][Branch1][N][=C][Branch1][C][C][N][Ring1][=N][Ring1][#Branch2][C][C][C][C][Ring1][N] | c15nnc2c3c4c(sc3nc(C)n12)CCCC4.CC5 |
7975 | O=S(=O)(CCSc1cccs1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][S][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CC2)c1ccccc1.c13cccs1.S23 |
7976 | COC(=O)C1CC2CC(CC(C(=O)OC)C2=O)C1=O | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][#C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=O][C][Ring1][=C][=O] | C15CC2CC(CC6C2=O)C1=O.C35=O.C46=O.CO3.O4C |
7977 | Cc1ccc(S(=O)(=O)CCS(=O)(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)CCS(=O)(=O)c2cccs2)cc1 |
7978 | Cc1nn2c(C)cc(C(F)(F)F)nc2c1Br | [C][C][=N][N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][O][=C][Ring1][=C][Br] | Cc1nn2c(C)cc3nc2c1Br.C3(F)(F)F |
7979 | CC[S+]([O-])c1scc(-c2ccc(Cl)cc2)c1C#N | [C][C][S+1][Branch1][C][O-1][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][#N] | CC[S+]([O-])c1scc3c1C#N.c13ccc(Cl)cc1 |
7980 | C[S+]([O-])c1noc(-c2ccc(Cl)cc2)c1C#N | [C][S+1][Branch1][C][O-1][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][N][C][#N] | C[S+]([O-])c1noc3c1C#N.c13ccc(Cl)cc1 |
7981 | O=C(c1ccc(-c2ccccn2)s1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc5s1.c15ccccn1.N13CCOCC1.O=C34 |
7982 | O=C(c1ccc(-c2ccccn2)s1)N1CCCCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc5s1.c15ccccn1.N13CCCCC1.O=C34 |
7983 | COc1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc18.c1%10ccc6c7c1.C34=O.CO5.N39.N4%10.O6C.O7C.O8C |
7984 | Cc1nc(-c2cnn3c(C)cc(C(F)(F)F)nc23)no1 | [C][C][=N][C][Branch2][Ring1][O][C][C][=N][N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring1][=C][Ring1][O][=N][O][Ring2][Ring1][Ring1] | c15cnn2c(C)cc4nc12.Cc1nc5no1.C4(F)(F)F |
7985 | C[S+]([O-])c1scc(-c2ccc(Cl)cc2)c1C#N | [C][S+1][Branch1][C][O-1][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][#N] | C[S+]([O-])c1scc3c1C#N.c13ccc(Cl)cc1 |
7986 | O=C(Nc1cccnc1)C(c1ccccc1)c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccnc1.c14ccccc1.c15ccccc1.O=C2C45.N23 |
7987 | Cc1ccc(-c2csc([S+](C)[O-])c2C#N)cc1 | [C][C][=C][C][=C][Branch1][P][C][=C][S][C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][=C][Ring1][Branch2][C][#N][C][=C][Ring1][S] | c13csc([S+](C)[O-])c1C#N.Cc1ccc3cc1 |
7988 | COc1ccc(C(=O)Nc2nccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][O][C] | c14ccc7cc15.c16nccs1.C37=O.CO4.N36.O5C |
7989 | O=C(Nc1cccnc1)c1ccccc1Br | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c13cccnc1.O=C24.N23 |
7990 | CS(=O)(=O)c1scc(-c2ccccc2Cl)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][#N] | CS(=O)(=O)c1scc3c1C#N.c13ccccc1Cl |
7992 | CC(C)S(=O)(=O)c1cnc(N2CCOCC2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)S(=O)(=O)c1cnc3nc1N.N13CCOCC1 |
7993 | CC(C)S(=O)(=O)c1cnc(N2CCCC2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O][N] | CC(C)S(=O)(=O)c1cnc3nc1N.N13CCCC1 |
7995 | CC(C)S(=O)(=O)c1cnc(-c2cccnc2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)S(=O)(=O)c1cnc3nc1N.c13cccnc1 |
7996 | COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1N | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][=N][N] | c13sc4c(S(=O)(=O)C(C)C)c1N.C23=O.CO2.S4C |
7998 | CC(C)S(=O)(=O)c1cnc(-c2ccc(Cl)cc2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N] | CC(C)S(=O)(=O)c1cnc3nc1N.c13ccc(Cl)cc1 |
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