ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
5979 | CCc1nc2ccccc2c(=O)n1-c1cccc(O)c1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c13nc2ccccc2c(=O)n14.c14cccc(O)c1.CC3 |
5980 | CCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13nc2ccccc2c(=O)n14.c14ccc(O)cc1.CC3 |
5981 | COC(=O)Cc1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][=N] | c14cc(=O)c2c(Cl)cc(Cl)cc2[nH]1.C3(=O)C4.CO3 |
5982 | CCOC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c17cc8ccc19.C25=O.C38=O.C49=O.CC6.O26.N57.O3C.O4C |
5983 | CCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | CCCN1C(=O)C(C4)c2ccccc21.c14nc2ccccc2c(=O)n1C |
5985 | CC(=O)N1CCc2cc(S(=O)(=O)N(C)c3ccccc3)ccc21 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | N14CCc2cc(S5(=O)=O)ccc21.c16ccccc1.CC4=O.N56C |
5988 | CCCN1C(=O)c2cccc3c(NC(C)=O)ccc1c23 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][Ring1][S][=C][Ring1][=C][Ring1][#Branch2] | CCCN1C(=O)c2cccc3c5ccc1c23.C4(C)=O.N45 |
5989 | Cn1c(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2cnc5nc2n(C)c1=O.c15ccc4cc1.C4(F)(F)F |
5990 | Cn1c(=O)c2cnc(-c3ccccc3Cl)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2cnc4nc2n(C)c1=O.c14ccccc1Cl |
5992 | COc1ccc(Nc2ncnc3c2cnn3C)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][P] | c15ncnc2c1cnn2C.c14ccc6cc1.CO4.N56 |
5994 | Cn1ncc2c(Nc3ccc4ccccc4c3)ncnc21 | [C][N][N][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2] | Cn1ncc2c5ncnc21.c16ccc2ccccc2c1.N56 |
5996 | CCOC(=O)C1(O)CSc2nc3sc(C)c(C)c3c(=O)n21 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][S][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][Ring1][S] | C4(=O)C1(O)CSc2nc3sc(C)c(C)c3c(=O)n21.CC5.O45 |
5998 | COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2ccccc2c(=O)n15.c15ccccc1.C3(=O)C4.CO3.S46 |
5999 | CC(=O)Oc1ccccc1C1NC(=O)c2c(sc3c2CCCC3)N1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C] | C16NC(=O)c2c(sc3c2CCCC3)N1.c15ccccc16.CC4=O.O45 |
6000 | NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c14ccc(Cl)c(S3(=O)=O)c1.N13CCOCC1.NC4=O |
6001 | COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c16ccc4c(S5(=O)=O)c1.N15CCOCC1.C36=O.CO3.O4C |
6002 | CC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][Branch1][C][O][=C][Ring1][P] | c16nc2cc(C)ccc2o1.c15ccc6c(O)c1.CC4=O.N45 |
6003 | COc1ccc(C(N)=O)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12ccc4cc1S3(=O)=O.N13CCOCC1.C4(N)=O.CO2 |
6004 | CC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][C] | c16nc2cc(C)cc(C)c2o1.c15ccc6c(O)c1.CC4=O.N45 |
6005 | CCOC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c17ccc5c(S6(=O)=O)c1.N16CCOCC1.C37=O.CC4.O34.O5C |
6008 | COc1ccc(-c2nnc(NC(C)=O)s2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=N][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c17nnc6s1.C3(C)=O.CO4.N36.O5C |
6009 | O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][=C][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13c[nH]c(=O)[nH]c1=O.c14ccc(Cl)c(Cl)c1.O=C24.N23 |
6010 | O=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc5ncn1.N15CCOCC1.c16ccccc1.O=C36.N34 |
6011 | COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][Ring1][=Branch2] | c17nc2c(cc1C#N)CCC2.c14ccccc16.C3(=O)C5.CO4.N36.S57 |
6013 | N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring1] | N#Cc1cc2c(nc16)CCC2.c15ccc(F)cc1.C4C3=O.S46.N35 |
6014 | COC(=O)CNC(=O)C1COc2ccccc2O1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.C3(=O)C5.C46=O.CO3.N45 |
6015 | Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)OCO2 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.Cc1cc6nn15.C6(F)(F)F.C5C3=O.N34 |
6016 | COc1ccc2oc(C(=O)c3ccccc3)c(NC(C)=O)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc7c6c2c1.c18ccccc1.C78=O.C4(C)=O.CO5.N46 |
6017 | O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccc2c(c1)OCO2.N13CCN4CC1.c14ccc(F)cc1.O=C35 |
6018 | Cc1cc(C)c(C#N)c(SCc2cc(O)n[nH]2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=N][S][C][C][=C][C][Branch1][C][O][=N][NH1][Ring1][=Branch1][=N][Ring1][P] | Cc1cc(C)c(C#N)c5n1.c14cc(O)n[nH]1.S35.C34 |
6020 | Cc1ccc2c(c1)C(=O)OC1(O)c3ccccc3C(=O)N21 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][Ring1][O] | Cc1ccc2c(c1)C(=O)OC1(O)c3ccccc3C(=O)N21 |
6021 | COc1cc2c(cc1OC)N1C(=O)c3ccccc3C1(O)OC2=O | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][O][O][C][Ring2][Ring1][Ring1][=O] | c14cc2c(cc15)N1C(=O)c3ccccc3C1(O)OC2=O.CO4.O5C |
6022 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1 | [C][C][C][Branch1][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][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15cccc4c1.CCC3C.O23.O4C |
6023 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccccc1F | [C][C][C][Branch1][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][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc1F.CCC3C.O23 |
6024 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccccc1 | [C][C][C][Branch1][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][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc1.CCC3C.O23 |
6028 | Cn1c(=O)c2c(nc(SCc3ccc(F)cc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(nc6n2C)n(C)c1=O.c15ccc(F)cc1.S46.C45 |
6029 | COc1ccc(C(=O)c2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C][O][C] | c16nc2ccccc2n1C.c14ccc7cc15.C67=O.CO4.O5C |
6030 | COc1ccccc1C(=O)c1nc2ccccc2n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.c13ccccc15.C45=O.CO3 |
6032 | O=c1[nH]c2cc(S(=O)(=O)N3CCCCC3)ccc2o1 | [O][=C][NH1][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][Ring2][Ring1][C] | O=c1[nH]c2cc(S4(=O)=O)ccc2o1.N14CCCCC1 |
6033 | Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | c15ccc2c(c1)nc(C)n2C.Cc1ccc6cc1.C46=O.N45 |
6035 | Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c16c[nH]c(=O)[nH]c1=O.Cc1ccc5cc1.C4C3=O.O45.N36 |
6036 | Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1 | [C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring2][Ring1][C] | Cc1cc(S4(=O)=O)c(C)s1.c15ccccc1.C3C5.N34 |
6037 | COc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=C][Ring1][P] | S4(=O)(=O)c1cc(C)sc1C.c13ccc5cc1.CO3.N45 |
6038 | CS(=O)(=O)N(CC(=O)N1CCCCCC1)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] | N12CCCCCC1.c15ccccc1Cl.CS4(=O)=O.C3C2=O.N345 |
6039 | COc1ccc(C2NC(=O)c3ccccc3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P] | C15NC(=O)c2ccccc2N1.c14ccc5cc1.CO4 |
6046 | CC(=O)c1c(C(F)(F)F)nn(C(=O)c2ccccc2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C] | c13c5nn(C4=O)c1C.c14ccccc1.C5(F)(F)F.CC3=O |
6047 | O=C1CC(n2nnnc2-c2ccccc2)C2COC1O2 | [O][=C][C][C][Branch1][S][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][Ring2][Ring1][C][O][Ring1][Branch1] | O=C1CC3C2COC1O2.n13nnnc14.c14ccccc1 |
6048 | COC(=O)c1cc(=O)nc2sc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][=Branch2] | c15cc(=O)nc2sc3ccccc3n12.C45=O.CO4 |
6049 | Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1oc(=O)c4cc16.c15ccccc1.c17ccccc1.C35=O.C67=O.N34 |
6050 | COc1cc2c(cc1OC)-c1nncn1C(C)(C)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C] | c13cc2c(cc14)-c1nncn1C(C)(C)C2.CO3.O4C |
6051 | COc1cc(OC)cc(C(=O)n2nc(C)c(-c3ccccc3)c2N)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][N][=C][Ring2][Ring1][#Branch1] | C6(=O)n1nc(C)c7c1N.c14cc5cc6c1.c17ccccc1.CO4.O5C |
6053 | Cc1ccc(N2CNC(=O)c3c(C)cc(C)nc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | N14CNC(=O)c2c(C)cc(C)nc21.Cc1ccc4cc1 |
6054 | O=C(COc1ccccc1Br)Nc1nccs1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccccc1Br.c15nccs1.O=C2C3.O34.N25 |
6055 | CCCN1C(=O)c2ccccc2NC1c1ccc(C)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | N13C(=O)c2ccccc2NC14.c14ccc(C)cc1.CCC3 |
6056 | CCCN1C(=O)c2ccccc2NC1c1ccc(O)c(OCC)c1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][C][=C][Ring1][#Branch2] | N15C(=O)c2ccccc2NC16.c16ccc(O)c4c1.CCC5.O34.C3C |
6057 | COC(=O)c1ccc(NC2OC(=O)c3c2ccc(OC)c3OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | N7C1OC(=O)c2c1ccc5c26.c18ccc7cc1.C48=O.CO4.O5C.O6C |
6058 | Cc1nnc(SCc2ccon2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][=C][O][N][=Ring1][Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n15.c15ccccc1.c14ccon1.S36.C34 |
6059 | Cn1c(SCc2ccon2)nc2ccccc2c1=O | [C][N][C][Branch1][#Branch2][S][C][C][C][=C][O][N][=Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | Cn1c5nc2ccccc2c1=O.c14ccon1.S35.C34 |
6061 | Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)s1 | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][S] | Cc1cc(S3(=O)=O)c(C)s1.C14CCCCC1.N34 |
6062 | CCOc1cc(C#N)c(-n2cccc2)cc1OCC | [C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][=N][O][C][C] | c15cc(C#N)c7cc16.n17cccc1.CC3.O35.O46.C4C |
6063 | COC(=O)c1ccn(C2CC(=O)C3OCC2O3)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][S][C][C][C][=Branch1][C][=O][C][O][C][C][Ring1][Branch2][O][Ring1][Branch1][N][=Ring1][=C] | C16CC(=O)C2OCC1O2.c15ccn6n1.C45=O.CO4 |
6064 | O=C1CC(c2ccc(F)cc2)Sc2ccccc2N1 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | O=C1CC3Sc2ccccc2N1.c13ccc(F)cc1 |
6065 | O=C(Nc1ccc(F)cc1)c1ccc(Cn2cnnn2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][N] | c14ccc(F)cc1.c15ccc7cc1.n16cnnn1.O=C35.N34.C67 |
6066 | O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cn2cnnn2)cc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][N] | c14ccccc17.c15ccc8cc1.n16cnnn1.C7(F)(F)F.O=C35.N34.C68 |
6067 | COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][O][C] | c15nc(C)cc(C)c17.c13ccc6cc14.C7(N)=O.CO3.N56.O4C |
6068 | Cc1cc(C)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c(C#N)c4n1.c15ccc2c(c1)OCCO2.N45 |
6069 | Cc1cc(C)c(C(N)=O)c(Nc2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)OCCO2.Cc1cc(C)c6c4n1.C6(N)=O.N45 |
6070 | CCOc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(=O)Nc3cc6c7cc32)cc1.CC4.O45.O6C.O7C |
6071 | COC(=O)n1c(=O)oc2ccc(S(=O)(=O)N3CCCCC3)cc21 | [C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][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][Ring2][Ring1][Ring1] | C4(=O)n1c(=O)oc2ccc(S5(=O)=O)cc21.N15CCCCC1.CO4 |
6073 | CC(C)COC(=O)n1ccc(C(=O)N2CCCCC2)n1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=N] | C3(=O)n1ccc6n1.N14CCCCC1.CC(C)C5.C46=O.O35 |
6074 | CCOC(=O)n1ccc(C(=O)Nc2ccc(C(C)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][N][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][=N][Ring1][P] | C3(=O)n1ccc7n1.c16ccc8cc1.C47=O.C8(C)=O.CC5.O35.N46 |
6075 | COc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2] | c14ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3.CO4 |
6076 | COC(=O)n1ccc(C(=O)Nc2ccccc2F)n1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][#C] | C3(=O)n1ccc6n1.c15ccccc1F.C46=O.CO3.N45 |
6078 | O=C1CC(c2ccc(Cl)cc2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][O][Ring1][Branch2] | O=C1CC(c2ccc(Cl)cc2)c2cc3c(cc2N1)OCO3 |
6079 | O=C1CC(c2ccc(F)cc2)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][O][C][O][Ring1][Branch2] | O=C1CC(c2ccc(F)cc2)c2cc3c(cc2N1)OCO3 |
6080 | CS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | CS(=O)(=O)c1nc2ccccc2n13.c14ccccc1F.C34 |
6081 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][N][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1ccc5nc1.N45 |
6082 | Cc1ccccc1OCc1nnc2n1CC(C)S2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][C][C][S][Ring1][=Branch1] | c15nnc2n1CC(C)S2.Cc1ccccc14.O34.C35 |
6084 | Cc1ncsc1CCSc1nc2ccccc2c(=O)n1C | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c15nc2ccccc2c(=O)n1C.Cc1ncsc14.C4C3.S35 |
6085 | O=c1[nH]c2ccccc2n1Cc1ccccc1Cl | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1[nH]c2ccccc2n13.c14ccccc1Cl.C34 |
6087 | O=C(Cn1cnc2ccccc2c1=O)NC1CCCCC1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | n15cnc2ccccc2c1=O.C14CCCCC1.O=C3C5.N34 |
6093 | CCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(C)n(C)n5c1=O.CCC(CC)C3=O.c15ccccc1.N34 |
6094 | COc1cc(OC)cc(C(=O)NC(C)(C)CO)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O][=C][Ring1][S] | c13cc4cc6c1.C5(C)(C)CO.C26=O.CO3.O4C.N25 |
6095 | COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O] | c16oc2ccc(Br)cc2c15.C36=O.C4(C)=O.CO3.N45 |
6096 | Cc1ccnc(SCC(=O)N2CCc3ccccc32)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | N14CCc2ccccc21.Cc1ccnc6n1.C5C4=O.S56 |
6097 | O=C(CSc1nc2ccccc2o1)N1CCc2ccccc21 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c15nc2ccccc2o1.N13CCc2ccccc21.O=C3C4.S45 |
6098 | CC(=O)Nc1nonc1NC(=O)CSc1ncccn1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | c15nonc16.c17ncccn1.C3(=O)C4.CC2=O.N25.N36.S47 |
6099 | CCC(CC)c1nc2cc(OC)c(OC)cc2c(=O)o1 | [C][C][C][Branch1][Ring1][C][C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C] | c15nc2cc3c4cc2c(=O)o1.CCC5CC.O3C.O4C |
6100 | CC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c18nc2ccccc2o1.c16nonc17.C4(=O)C5.CC3=O.N36.N47.S58 |
6101 | N#Cc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCC2 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][Ring1][=Branch2] | c16nc2c(cc1C#N)CCC2.N#Cc1ccccc15.C3(=O)C4.N35.S46 |
6103 | O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc2c(n1)[nH]c1ccccc12.c15ccccc1.O=C3C4.S46.N35 |
6104 | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(F)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(C)c(C#N)c6n1.c15ccc(F)cc1.C4C3=O.S46.N35 |
6105 | Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.Cc1cccc6c1.C5(C)O.C46 |
6106 | CC(=O)NC1C(Oc2ccccc2Cl)OC(CO)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][P][O] | C16C4OC7C(O)C1O.c15ccccc1Cl.CC3=O.N36.O45.C7O |
6107 | NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2nc5sc2c1.c17ccc(N)cc1.NC6=O.C47=O.N45 |
6109 | CCOc1nc(OCC)nc(-n2cc(-c3ccccc3)nn2)n1 | [C][C][O][C][=N][C][Branch1][Ring2][O][C][C][=N][C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=N][Ring2][Ring1][Ring2] | c16nc7nc8n1.n18cc9nn1.c19ccccc1.CC4.O46.O57.C5C |
6110 | O=S(=O)(c1cccc2nonc12)N1CCCC1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.N13CCCC1 |
6112 | COCc1cc(C)nc2sc(C(=O)Nc3ccc(F)cc3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc7c(N)c12.c16ccc(F)cc1.C47=O.CO5.C58.N46 |
6113 | CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15c(N)nn(C(=O)C(C)C)c16.c16ccc4cc1.C25=O.CC3.O23.O4C |
6114 | COCc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N] | c17cc(C)nc8c1C#N.c16ccc(F)cc1.C5C3=O.CO4.C47.S58.N36 |
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