ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15959 | O=C(NCC1CCCO1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.c17ccccc1.C16CCCO1.O=C35.N34.C46 |
15960 | CC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1Cl.CC3=O.C47=O.N35.N46 |
15963 | O=C(NCc1ccco1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(Cl)cc1.c16ccco1.O=C35.N34.C46 |
15964 | CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 | [C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | CN3C1=NS(=O)(=O)c2ccccc21.c13ccc(O)cc1 |
15965 | Cc1cccc(C)c1NC(=O)C1CCCN1C(=O)c1cccs1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1cccc(C)c14.C15CCCN13.c16cccs1.C25=O.C36=O.N24 |
15966 | Cc1cc(C)cc(NC(=O)C2CCCN2C(=O)c2cccs2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cc5cc(C)c1.C16CCCN14.c17cccs1.C36=O.C47=O.N35 |
15968 | O=C(Oc1ccccc1)Oc1ccc2sc(=O)oc2c1 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][S][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2sc(=O)oc2c1.c15ccccc1.O=C34.O35.O46 |
15970 | O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nc2ccccc21.c17ccccc1.O=C3C5.C6(F)(F)F.N34.C47 |
15971 | N#CCC(=O)NS(=O)(=O)c1ccc(Br)cc1 | [N][#C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Br)cc1.N#CCC2=O.N23 |
15972 | N#CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | [N][#C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.N#CCC2=O.N23 |
15973 | O=C(COc1cccc2ccccc12)NS(=O)(=O)c1ccccc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc2ccccc12.S6(=O)(=O)c1ccccc1.O=C3C4.O45.N36 |
15974 | CC1CCCC(C)N1C(=O)c1ccc(Br)cc1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | CC1CCCC(C)N12.c13ccc(Br)cc1.C23=O |
15977 | CCSc1nnc(NC(=O)c2cccc(C(=O)OC)n2)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][S][Ring2][Ring1][C] | c17cccc8n1.c19nnc6s1.C47=O.C38=O.CC5.S59.N46.O3C |
15978 | O=C(Nc1ccccc1)C1CCCN1C(=O)c1cccs1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc1.C15CCCN13.c16cccs1.O=C25.C36=O.N24 |
15980 | O=C(Nc1ccc(OC(=O)c2cccnc2)cc1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc5cc1.c18cccnc1.c17cccnc1.O=C47.C38=O.N46.O35 |
15981 | O=C(Nc1cccc(OC(=O)c2cccnc2)c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16cccc5c1.c18cccnc1.c17cccnc1.O=C47.C38=O.N46.O35 |
15982 | Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.C16CCCN14.c17cccs1.C36=O.C47=O.N35 |
15983 | O=C(Oc1cccc(OC(=O)c2cccnc2)c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cccc6c1.c18cccnc1.c17cccnc1.O=C37.C48=O.O35.O46 |
15984 | O=C(Oc1cccc(Br)c1)c1cccnc1 | [O][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cccc(Br)c1.c14cccnc1.O=C24.O23 |
15985 | COC(=O)c1cc(Br)ccc1OC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc(Br)ccc14.c16cccnc1.C25=O.C36=O.CO2.O34 |
15986 | Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.C16CCCN14.c17cccs1.C36=O.C47=O.N35 |
15987 | COc1cc(C(=O)N2CCCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c14cc7cc5c16.N13CCCCC1.C37=O.CO4.O5C.O6C |
15988 | Brc1ccc(NCc2ccncc2)cc1 | [Br][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | Brc1ccc4cc1.c15ccncc1.N34.C35 |
15989 | CCC(C)NS(=O)(=O)c1ccc(OC)c(Br)c1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | S4(=O)(=O)c1ccc2c(Br)c1.CCC3C.N34.O2C |
15990 | COc1ccc(S(=O)(=O)NCC(C)C)cc1Br | [C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C][Br] | c12ccc(S4(=O)=O)cc1Br.C3C(C)C.CO2.N34 |
15991 | COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][Br] | c13ccc(S4(=O)=O)cc1Br.C15CCCC1.CO3.N45 |
15992 | CCN(CC)S(=O)(=O)c1ccc(OC)c(Br)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc2c(Br)c1.N345.CC3.C4C.O2C |
15993 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1Br | [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][Br] | c13ccc(S4(=O)=O)cc1Br.N14CCOCC1.CO3 |
15994 | COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Br | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Br] | c13ccc(S4(=O)=O)cc1Br.c15ccccc1.CO3.N45 |
15995 | Cc1cc(Br)ccc1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc(Br)ccc13.c14ccco1.C24=O.N23 |
15997 | O=S(=O)(NCc1ccccc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccccc1.N23.C24 |
15998 | O=S(=O)(NCCc1ccccc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccccc1.C2C4.N23 |
15999 | Cc1ccc(C)c(NS(=O)(=O)c2cccs2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S] | Cc1ccc(C)c4c1.S3(=O)(=O)c1cccs1.N34 |
16000 | Cc1cccc(C)c1NS(=O)(=O)c1cccs1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1cccc(C)c13.S2(=O)(=O)c1cccs1.N23 |
16001 | O=S(=O)(Nc1ccccc1Cl)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccccc1Cl.N23 |
16002 | Nc1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.Nc1ccc6cc1.C46=O.O45.C57 |
16003 | O=S(=O)(Nc1ccc(Cl)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccc(Cl)cc1.N23 |
16004 | O=S(=O)(Nc1cccc(Br)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13cccc(Br)c1.N23 |
16005 | O=C1OCCN1S(=O)(=O)c1ccc(Cl)cc1 | [O][=C][O][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C1OCCN1S(=O)(=O)c1ccc(Cl)cc1 |
16006 | COc1cccc(NS(=O)(=O)c2cccs2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | S4(=O)(=O)c1cccs1.c13cccc5c1.CO3.N45 |
16007 | CCOc1ccc(NS(=O)(=O)c2cccs2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1cccs1.c14ccc6cc1.CC3.O34.N56 |
16008 | O=C(Nc1nonc1NC(=O)c1ccccc1F)c1ccccc1F | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.c16ccccc1F.c14nonc15.O=C26.C37=O.N24.N35 |
16009 | CCOC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1cccs1.c17ccc6cc1.C37=O.CC4.O34.N56 |
16010 | COC(=O)c1ccccc1NS(=O)(=O)c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)c1cccs1.c15ccccc14.C25=O.CO2.N34 |
16012 | CCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.c16ccccc15.C26=O.CC3.O23.N45 |
16013 | COc1ccc(NS(=O)(=O)c2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][O][C] | c13ccc6cc14.S5(=O)(=O)c1cccs1.CO3.N56.O4C |
16014 | CCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c13ccccc16.C4C(N)=O.N456.CC2.O23 |
16016 | CCC(=O)CC1OC(=O)c2c1ccc(OC)c2OC | [C][C][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | CCC(=O)CC1OC(=O)c2c1ccc3c24.O3C.O4C |
16017 | Cc1nc(CC(=O)c2cc(C)c(O)cc2O)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][=C][S][Ring1][P] | c13cc(C)c(O)cc1O.Cc1nc4cs1.C4C3=O |
16018 | CN(C)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1Cl.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
16019 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
16020 | CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring1][P] | c15ccc(O)cc1O.c14ccc6cc1.C6C5=O.CC3C.O34 |
16021 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
16022 | Cc1c(O)ccc(C(=O)COc2ccc(F)cc2)c1O | [C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][O] | Cc1c(O)ccc5c1O.c14ccc(F)cc1.C5(=O)C3.O34 |
16023 | CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.N12CCOCC1.CS4(=O)=O.C3C2=O.N345 |
16024 | CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
16025 | CS(=O)(=O)N(CC(N)=O)c1ccccc1Br | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.CS3(=O)=O.C2C(N)=O.N234 |
16026 | CN(C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1Br.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
16027 | O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c12ccc(Cl)cc1Cl.n13ccnc1.O=C2C3 |
16028 | CNc1ccc(S(=O)(=O)c2ccc(NC)cc2)cc1 | [C][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][N][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c13ccc(S(=O)(=O)c2ccc4cc2)cc1.CN3.N4C |
16031 | CC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc4cc1.c16cncc(Br)c1.CC5=O.C36=O.N34 |
16032 | O=C(Oc1ccc(F)cc1)c1cncc(Br)c1 | [O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(F)cc1.c14cncc(Br)c1.O=C24.O23 |
16034 | CC(=O)Nc1ccc(NC(=O)c2cncc(Br)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17cncc(Br)c1.CC3=O.C47=O.N35.N46 |
16035 | COC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc5cc1.c17cncc(Br)c1.C36=O.C47=O.CO3.O45 |
16036 | O=C(Oc1ccc(Br)cc1)c1cccnc1 | [O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Br)cc1.c14cccnc1.O=C24.O23 |
16038 | Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14cc(N)ccc1C.N34 |
16039 | COC(=O)c1ccc(NC(=O)c2cccnc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.c17cccnc1.C36=O.C47=O.CO3.N45 |
16040 | CC(=O)c1ccc2ccccc2c1OC(=O)c1cccnc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc2ccccc2c14.c16cccnc1.CC5=O.C36=O.O34 |
16044 | COc1ccc(C(=O)N2C(C)CCCC2C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring1][S][O][C] | c14ccc6cc15.N13C(C)CCCC1C.C36=O.CO4.O5C |
16047 | COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc5c6c1.c14ccc7cc1.C38=O.CO4.N37.O5C.O6C |
16048 | COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc16.c17cccc8c1.C39=O.C4(C)=O.CO5.N37.N48.O6C |
16049 | COc1cccc(OC)c1C(=O)N1CCCCCC1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c13cccc4c15.N12CCCCCC1.C25=O.CO3.O4C |
16050 | Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc4cc1.c13nnnn15.c15ccccc1.O34 |
16051 | CCOC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][#C][C] | c19sc7nc1C.c18ccccc1.C39=O.C45=O.CC6.O36.N47.N58 |
16052 | Cc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.c15ccc(Cl)cc1.C35=O.N34 |
16053 | NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N | [N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=Ring1][#C][N] | c14sc2nc5ccc2c1N.c15cccnc1.NC4=O |
16054 | Cc1ccc(C)c(C(=O)CN2Cc3ccccc3C2=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][Ring2][Ring1][Ring2] | N15Cc2ccccc2C1=O.Cc1ccc(C)c4c1.C4(=O)C5 |
16055 | CC(=O)NC1C(OC2CCCCC2)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][S][O] | C16C4OC7C(O)C1O.C15CCCCC1.CC3=O.N36.O45.C7O |
16056 | O=C(c1cccc(Br)c1)N1CCCC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1] | c13cccc(Br)c1.N12CCCC1.O=C23 |
16057 | C=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 | [C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C=C(c1ccc2c3c1)c1ccc4c5c1.O2C.O3C.O4C.O5C |
16058 | COc1ccc(CCc2ccc(OC)c(OC)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc7cc16.c18ccc4c5c1.C7C8.CO3.O4C.O5C.O6C |
16060 | O=C(c1ccc(Br)cc1)N1CCCCC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13ccc(Br)cc1.N12CCCCC1.O=C23 |
16061 | CC(C)c1nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3 | [C][C][Branch1][C][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=N] | c14nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3.CC4C |
16062 | Cc1cc(C)n(-c2c(F)c(F)c(CO)c(F)c2F)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][Ring1][C][O][C][Branch1][C][F][=C][Ring1][O][F][N][=Ring2][Ring1][C] | c14c(F)c(F)c3c(F)c1F.Cc1cc(C)n4n1.C3O |
16063 | COc1ccc(C(=O)Nc2ccc(Br)cn2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccc(Br)cn1.C37=O.CO4.N36.O5C |
16064 | COc1ccc(C(=O)Nc2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c16cccnc1.C37=O.CO4.N36.O5C |
16066 | Cc1cccc(OCC(O)Cn2c(C)nc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | n16c(C)nc2ccccc21.Cc1cccc5c1.C4C(O)C6.O45 |
16067 | Cc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [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][Ring2][Ring1][C] | N4C1=NS(=O)(=O)c2ccccc21.Cc1cccc4c1 |
16068 | Cc1cccc(C)c1OCC(O)Cn1c(C)nc2ccccc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(C)nc2ccccc21.Cc1cccc(C)c14.C3C(O)C5.O34 |
16070 | Cc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [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.Cc1ccc4cc1 |
16071 | COc1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [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] | N4C1=NS(=O)(=O)c2ccccc21.c13ccccc14.CO3 |
16072 | Cc1nc2ccccc2n1CC(O)COCC1CC=CCC1 | [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][C][Ring1][=Branch1] | Cc1nc2ccccc2n15.C16CC=CCC1.C5C(O)C3.O34.C46 |
16073 | O=C(c1ccncc1)c1ccc(Br)cc1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.c12ccncc1.O=C23 |
16074 | Cc1nc2ccccc2n1CC(O)COC1CCCCC1 | [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] | Cc1nc2ccccc2n15.C14CCCCC1.C5C(O)C3.O34 |
16075 | CCc1nc2ccccc2n1CC(O)COC1CCCCC1 | [C][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] | c16nc2ccccc2n15.C14CCCCC1.C5C(O)C3.CC6.O34 |
16076 | O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccco1 | [O][=C][Branch2][Ring1][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][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6c(Cl)c1.c18ccco1.c17ccco1.O=C37.C48=O.N35.N46 |
16077 | CCc1nc2ccccc2n1CC(O)COc1ccc(OC)cc1 | [C][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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17nc2ccccc2n16.c14ccc5cc1.C6C(O)C3.CC7.O34.O5C |
16078 | COC(=O)c1ccc(C(=O)Nc2ccccc2N)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S] | c16ccc7cc1.c15ccccc1N.C36=O.C47=O.CO3.N45 |
16079 | OC(COc1cccc(Cl)c1)Cn1cnc2ccccc21 | [O][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14cccc(Cl)c1.OC(C3)C5.O34 |
16080 | Cc1nc2ccccc2n1CC(O)COc1cccc(Cl)c1 | [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][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2ccccc2n15.c14cccc(Cl)c1.C5C(O)C3.O34 |
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