ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16081 | COC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n18cnc2ccccc21.c17ccc6cc1.C5C(O)C8.C47=O.CO4.O56 |
16082 | COC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1 | [C][O][C][=Branch1][C][=O][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][=C][Ring2][Ring1][Branch1] | n18c(C)nc2ccccc21.c17ccc6cc1.C5C(O)C8.C47=O.CO4.O56 |
16083 | COC(=O)c1cccc(OCC(O)Cn2c(C)nc3ccccc32)c1 | [C][O][C][=Branch1][C][=O][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] | n18c(C)nc2ccccc21.c17cccc6c1.C5C(O)C8.C47=O.CO4.O56 |
16087 | CCC(=O)OC1CSc2nc3ccccc3n2C1 | [C][C][C][=Branch1][C][=O][O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=N] | C15CSc2nc3ccccc3n2C1.CCC4=O.O45 |
16088 | O=C(OC1CSc2nc3ccccc3n2C1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | C15CSc2nc3ccccc3n2C1.c16ccco1.O=C46.O45 |
16089 | O=C(OC1CSc2nnnn2C1)c1ccccc1Cl | [O][=C][Branch1][#C][O][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C14CSc2nnnn2C1.c15ccccc1Cl.O=C35.O34 |
16091 | COc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 | [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] | c14ccc6cc1.c15ccc(Br)cn1.C36=O.CO4.N35 |
16092 | Cc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc1.C3C(N)=O.N345.C46 |
16093 | COc1ccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc(S6(=O)=O)cc1.c17ccccc1.C4C(N)=O.N456.CO3.C57 |
16094 | Cn1c(SCc2nc3ccccc3[nH]2)nc(=O)c2ccccc21 | [C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c6nc(=O)c2ccccc21.c15nc2ccccc2[nH]1.S46.C45 |
16096 | [O-][S+](C[S+]([O-])c1ccccc1)c1ccccc1 | [O-1][S+1][Branch1][=C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | [O-][S+](C[S+]([O-])c1ccccc1)c1ccccc1 |
16098 | Cn1c(=O)c2[nH]c(N3CCOCC3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2[nH]c4nc2n(C)c1=O.N14CCOCC1 |
16099 | Cc1ccc(NC2OC(CO)C(O)C(O)C2O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C] | C14OC5C(O)C(O)C1O.Cc1ccc3cc1C.N34.C5O |
16100 | COc1cc(CNc2ccccc2)cc2c1OCO2 | [C][O][C][=C][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][O][Ring1][Branch1] | c13cc6cc2c1OCO2.c15ccccc1.CO3.C46.N45 |
16101 | COc1ccc(C(=O)Nc2cccc(O)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16cccc(O)c1.C37=O.CO4.N36.O5C |
16102 | Cc1ccnc(NC(=O)CSc2nc3ccccc3s2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2s1.Cc1ccnc6c1.C4(=O)C5.N46.S57 |
16103 | Cc1ccnc(NC(=O)CSc2nc3ccccc3[nH]2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2[nH]1.Cc1ccnc6c1.C4(=O)C5.N46.S57 |
16104 | Cc1cc(C)nc(SCC(=O)NCc2ccco2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc7n1.c16ccco1.C5C3=O.S57.N34.C46 |
16105 | O=C(c1cccc(F)c1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c13cccc(F)c1.O=C34 |
16106 | O=C(CCc1ccccc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c13ccc2c(c1)OCCO2.c14ccccc1.O=C3CC4 |
16107 | Cc1cc(C)c(S(=O)(=O)Nc2cccnc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c(S3(=O)=O)c(C)c1.c14cccnc1.N34 |
16108 | COc1ccc(C(=O)CCNc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc6cc1.c15ccccc1.C6(=O)CC4.CO3.N45 |
16109 | Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=O][C][Branch1][C][C][=C][Ring1][P] | Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1 |
16110 | Cc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c17cccc5c1.Cc1nc7cs1.c16ccccc1.C46=O.N45 |
16115 | CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C4(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1.CC5.O45 |
16116 | CNC(=O)CCC(=O)Nc1cc(Cl)ccc1C | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C] | c14cc(Cl)ccc1C.C2(=O)CCC3=O.CN2.N34 |
16118 | CC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.C4C7=O.CC2=O.C36=O.O25.O34 |
16119 | CCn1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][=N][N][=C][Ring1][#Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][C][C][Ring1][=Branch1] | n14c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1.CC4 |
16120 | CCOc1ccccc1N1C(=O)CN=C1Nc1nc(C)cc(C)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | N15C(=O)CN=C1N4.c14nc(C)cc(C)n1.c13ccccc15.CC2.O23 |
16121 | COc1ccc(N2Cc3ccc(OC)c(OC)c3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | N17Cc2ccc5c6c2C1=O.c14ccc7cc1.CO4.O5C.O6C |
16122 | CCOc1ccc(N2Cc3ccc(OC)c(OC)c3C2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | N18Cc2ccc6c7c2C1=O.c15ccc8cc1.CC4.O45.O6C.O7C |
16123 | COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc2c(c14)C(=O)OC2CC5=O.c15ccccc1.CO3.O4C |
16124 | Cc1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccn1.c17ccco1.N345.C36.C47 |
16125 | COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13ccc2c(c14)C(=O)OC2CC5=O.c15ccc(C)cc1.CO3.O4C |
16126 | CCOc1ccc(NC(=O)CSc2ccccn2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc7cc1.c18ccccn1.C3(=O)C6.CC4.O45.N37.S68 |
16127 | CCOc1ccccc1NC(=O)CSc1ccccn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc16.c17ccccn1.C2(=O)C5.CC3.O34.N26.S57 |
16128 | COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)CC14.c14ccc3cc1.C3(F)(F)F.CO2 |
16129 | COc1ccc(-c2cnn(-c3ccccc3)c2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c17cnn6c1N.c16ccccc1.CO4.O5C |
16130 | O=C(CSc1nc2ccccc2s1)N1CCCCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2s1.N13CCCCC1.O=C3C4.S45 |
16131 | CCOC(=O)c1sc(C)c(C(=O)NC2CCCCC2)c1N | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][#C][N] | c17sc(C)c8c1N.C16CCCCC1.C37=O.C48=O.CC5.O35.N46 |
16132 | COc1cccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | n16c(C)c4c5c1C.c13cccc6c1.C4(C)=O.C5(C)=O.CO3 |
16133 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(C)c2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][P][C] | c13c4c(C)n5c1C.c15ccc(C)c(C)c1.CC3=O.C4(C)=O |
16134 | CCn1c(SCC(=O)OC)nnc1-c1ccc(Cl)cc1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n14c5nnc16.c16ccc(Cl)cc1.C3C2=O.CC4.S35.O2C |
16137 | Nc1ccc(-c2nc3cc(N)cc(Cl)c3o2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][N][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][O][C][=C][Ring1][P] | c14nc2cc(N)cc(Cl)c2o1.Nc1ccc4cc1 |
16139 | COc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1][=Ring1][P] | c15cccc2cc6c(=O)oc12.c16cn2cccc(C)c2n1.CO5 |
16140 | Nc1ccc2[nH]c(-c3ccccc3-c3nc4cc(N)ccc4[nH]3)nc2c1 | [N][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Nc1ccc2[nH]c5nc2c1.c16nc2cc(N)ccc2[nH]1.c15ccccc16 |
16142 | COc1cccc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch1][P][C][=C][N][C][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1][=Ring1][P] | c15cccc2cc6c(=O)oc12.c16cn2ccc(C)cc2n1.CO5 |
16146 | O=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | O=S4(=O)c1ccc2ccccc2c1.c15cccnc1.N34.C35 |
16150 | COc1cc(OC)c(NC(=O)c2cccs2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][Cl] | c14cc5c6cc1Cl.c17cccs1.C37=O.CO4.O5C.N36 |
16152 | COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c18cc2cc5c6cc2c(C)n1.c14ccc8cc17.CO4.O5C.O6C.O7C |
16153 | O=C(Oc1cccccc1=O)c1cccc(Cl)c1 | [O][=C][Branch1][N][O][C][=C][C][=C][C][=C][C][Ring1][#Branch1][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13cccccc1=O.c14cccc(Cl)c1.O=C24.O23 |
16154 | CCS(=O)(=O)Nc1ccc(Br)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.CCS2(=O)=O.N23 |
16155 | COC(=O)Oc1cc2oc(=O)sc2cc1Cl | [C][O][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] | c15cc2oc(=O)sc2cc1Cl.C34=O.CO3.O45 |
16156 | O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15ccc7cc1.c16cccc(Cl)c1.N14CCOCC1.O=C36.C47=O.N35 |
16157 | CC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Ring1][#Branch1][Ring1][S][C][C][S][Ring1][Branch2] | CC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3 |
16158 | Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch2][Ring1][Ring1][N][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch2][C] | Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n4n1C.c14ccccc1 |
16159 | O=C1Cc2ccccc2C(c2ccccc2Br)N1 | [O][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][Ring1][P] | O=C1Cc2ccccc2C(c2ccccc2Br)N1 |
16162 | Clc1ccc(-c2cn3c(n2)CCC3)cc1Cl | [Cl][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Cl] | Clc1ccc4cc1Cl.c14cn2c(n1)CCC2 |
16163 | CNc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1 | [C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][S] | c14nc5nc6n1.C2(C)(C)C.C3(C)(C)C.CN4.N25.N36 |
16164 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c16ccc(F)cc1.n15nnc6n1.O=C3C5.N34 |
16165 | CCOC(=O)C(CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c16nc2c(c(=O)[nH]c(=O)n2C)n1C.C3(=O)C5CC.CC4.O34.S56 |
16168 | CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnc(C)o1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1] | c17nc2ccccc2n15.c14nonc17.c16nnc(C)o1.CC3=O.N34.C56 |
16170 | Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2 | [C][C][NH1][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c13ccc(O)cc1O.Cc1[nH]nc3c14 |
16172 | Cc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1cc(C)c(S3(=O)=O)c(C)c1.N13CCOCC1 |
16173 | Cc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | Cc1ccccc15.N13CCN4CC1.c14ccc(F)cc1.C35=O |
16174 | Brc1ccc(-c2nnc3n2CCC3)cc1 | [Br][C][=C][C][=C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] | c14nnc2n1CCC2.Brc1ccc4cc1 |
16176 | O=C(CCn1c(=O)oc2ccccc21)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | n14c(=O)oc2ccccc21.N13CCOCC1.O=C3CC4 |
16177 | N#Cc1c(SCC(N)=O)nc2c(c1-c1ccncc1)CCCC2 | [N][#C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][C][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=N] | N#Cc1c4nc2c(c15)CCCC2.c15ccncc1.C3C(N)=O.S34 |
16178 | Oc1ccccc1-c1noc(-c2ccccc2O)n1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][N] | Oc1ccccc13.c14ccccc1O.c13noc4n1 |
16180 | O=C(CCn1c(=O)oc2ccccc21)NCc1cccs1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1] | n15c(=O)oc2ccccc21.O=C3CC5.c16cccs1.N34.C46 |
16181 | O=C(CCn1c(=O)oc2ccccc21)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c16ccccc1.O=C3CC5.C4C6.N34 |
16182 | COc1ccccc1CCNC(=O)CCn1c(=O)oc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)oc2ccccc21.c14ccccc17.C3(=O)CC6.C7C5.CO4.N35 |
16183 | CN(C(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 | [C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c14ccccc1.C3(=O)CC5.CN34 |
16184 | CCN(C(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 | [C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c(=O)oc2ccccc21.c15ccccc1.C3(=O)CC6.N345.CC4 |
16185 | c1ccn2cc(-c3ccc4c(c3)OCCO4)cc2c1 | [C][C][=C][N][C][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][Ring1] | c15ccc2c(c1)OCCO2.c1ccn2cc5cc2c1 |
16186 | CCN(C(=O)CCn1c(=O)oc2ccccc21)c1ccccc1C | [C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | n16c(=O)oc2ccccc21.c15ccccc1C.C3(=O)CC6.N345.CC4 |
16187 | O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | n15c(=O)oc2ccccc21.c14ccccc1Cl.O=C3CC5.N34 |
16188 | CSc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)oc2ccccc21.c16ccccc14.C3(=O)CC5.CS6.N34 |
16189 | COC(=O)c1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n17c(=O)oc2ccccc21.c16ccccc15.C4(=O)CC7.C36=O.CO3.N45 |
16190 | COc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | n18c(=O)oc2ccccc21.c15ccc7c6c1.C4(=O)CC8.CO5.N47.O6C |
16191 | Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][Cl] | n16c(=O)oc2ccccc21.Cc1ccc5cc1Cl.C4(=O)CC6.N45 |
16192 | O=C(CCn1c(=O)oc2ccccc21)Nc1ccccn1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c14ccccn1.O=C3CC5.N34 |
16193 | CC(C)Oc1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n17c(=O)oc2ccccc21.c15ccccc16.C3(=O)CC7.CC4C.O45.N36 |
16194 | O=C(CCn1c(=O)sc2ccccc21)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | n15c(=O)sc2ccccc21.C14CCCCC1.O=C3CC5.N34 |
16195 | CC1CCCCC1NC(=O)CCn1c(=O)sc2ccccc21 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)sc2ccccc21.CC1CCCCC14.C3(=O)CC5.N34 |
16196 | O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)sc2ccccc21.c16ccccc1.O=C3CC5.N34.C46 |
16197 | O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1Cl | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | n15c(=O)sc2ccccc21.c16ccccc1Cl.O=C3CC5.N34.C46 |
16198 | O=C(CCn1c(=O)sc2ccccc21)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15c(=O)sc2ccccc21.c16ccc(F)cc1.O=C3CC5.N34.C46 |
16199 | COc1ccc(CNC(=O)CCn2c(=O)sc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | n17c(=O)sc2ccccc21.c15ccc8cc1.C4(=O)CC7.CO5.C68.N46 |
16200 | CC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c14c(Cl)cnn5c1=O.c15ccccc1.CC3=O.N34 |
16201 | CC(NC(=O)CCn1c(=O)sc2ccccc21)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)sc2ccccc21.c16ccccc1.C3(=O)CC5.CC46.N34 |
16203 | O=C(CCn1c(=O)sc2ccccc21)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15c(=O)sc2ccccc21.O=C3CC5.c16ccco1.N34.C46 |
16205 | c1ccc(-n2nnnc2SCc2nc3ccccc3[nH]2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c15nc2ccccc2[nH]1.c1ccc6cc1.n16nnnc17.S47.C45 |
16206 | COc1ccc(Cl)cc1NC(=O)c1cccnc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc14.c15cccnc1.C25=O.CO3.N24 |
16207 | O=c1c2ccccc2nc2n1S(=O)(=O)c1ccccc1-2 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | O=c1c2ccccc2nc2n1S(=O)(=O)c1ccccc1-2 |
16208 | COc1ccc(CNc2ccc(NC(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c14ccc8cc1.c16ccc7cc1.C3(C)=O.CO4.C58.N56.N37 |
16209 | CC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17ccc(Cl)cc1.CC3=O.N35.N46.C47 |
16210 | Cc1ccccc1C(=O)N(Cc1ccccc1)C(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | Cc1ccccc15.c16ccccc1.C25=O.N234.C4(C)C.C36 |
16212 | O=C(CCn1c(=O)sc2ccccc21)Nc1ccon1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][O][N][=Ring1][Branch1] | n15c(=O)sc2ccccc21.O=C3CC5.c14ccon1.N34 |
16213 | Cc1cc(NC(=O)CCn2c(=O)sc3ccccc32)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2] | n16c(=O)sc2ccccc21.Cc1cc5no1.C4(=O)CC6.N45 |
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