ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
17697 | COc1ccc(C(=O)Nc2cccc(C)n2)c(OC)c1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14ccc8c5c16.c17cccc(C)n1.C38=O.CO4.N37.O5C.O6C |
17698 | CCOC(=O)c1cnn(Cc2ccc(Cl)cc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][=N][N] | c15cnn6c1N.c17ccc(Cl)cc1.C35=O.CC4.O34.C67 |
17700 | O=C(c1ccccc1SCc1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc16.c15ccccc1.N12CCOCC1.O=C24.S36.C35 |
17701 | COc1cc(OC)cc(C(=O)Nc2ccccc2F)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][C] | c14cc5cc7c1.c16ccccc1F.C37=O.CO4.O5C.N36 |
17702 | COc1cc(C(=O)NCC(C)c2ccccc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c19ccccc1.C7C9C.C38=O.CO4.N37.O5C.O6C |
17703 | O=C(COc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc2c(c1)OCO2.c16ccc(F)cc1.O=C3C4.O45.N36 |
17704 | Cc1ccccc1CNC(=O)COc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc16.c14ccccc1.C2(=O)C3.C56.N25.O34 |
17708 | Cc1nc2cccc(C(=O)Oc3ccccc3)c2o1 | [C][C][=N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][O][Ring2][Ring1][C] | Cc1nc2cccc6c2o1.c15ccccc1.C46=O.O45 |
17709 | CC(=O)c1ccccc1OC(=O)c1cccc2nc(C)oc12 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][Branch1][C][C][O][C][Ring1][#Branch2][=Ring1][=Branch1] | c16cccc2nc(C)oc12.c15ccccc14.CC5=O.C36=O.O34 |
17710 | CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15nn8cc17.c18ccccc1.c16ccco1.C35=O.C67=O.CC4.O34 |
17711 | c1ccc(CSc2nncn2-c2ccccc2)cc1 | [C][=C][C][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c1ccc4cc1.c16nncn15.c15ccccc1.C34.S36 |
17712 | CC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][=Branch1][C][=O][N][C][C][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] | c16ccc(S5(=O)=O)cc1.N15CCOCC1.CC3=O.C4C6.N34 |
17713 | CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c14ccc5cc1.c16ccncc1.CCS3(=O)=O.N34.C56 |
17714 | Cc1occc1C(=O)Nc1ccc(Cc2ccncc2)cc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c14ccc6cc1.Cc1occc15.c17ccncc1.C35=O.N34.C67 |
17716 | O=C(c1ccccc1SCc1ccc(F)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc16.c15ccc(F)cc1.N12CCOCC1.O=C24.S36.C35 |
17717 | CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | CN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc2c(c1)OCCO2 |
17718 | CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | CC1(C)CC2CC(C)(CN23)C1.S3(=O)(=O)c1ccc(N)cc1 |
17719 | CN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P] | N15CCN6CC1.c16nc7cs1.c17ccccc1.CN4C.C45=O |
17720 | CN(Cc1ccccc1)C(=O)c1n[nH]c(=O)c2ccccc12 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c16ccccc1.CN34.C35=O.C46 |
17721 | CN(C)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | CN(C)S(=O)(=O)N3.c13ccc4cc1.c15ccncc1.C45 |
17722 | CCC1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c14n[nH]c(=O)c2ccccc12.C15CCCCN13.C34=O.CC5 |
17723 | CC1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c15n[nH]c(=O)c2ccccc12.CC1CCN4CC1.C45=O |
17725 | NC(=O)C1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c15n[nH]c(=O)c2ccccc12.C16CCN4CC1.NC6=O.C45=O |
17726 | CC1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc12 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c14n[nH]c(=O)c2ccccc12.CC1CCCCN13.C34=O |
17727 | CC1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 | [C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | c15n[nH]c(=O)c2ccccc12.CC1CCCN4C1.C45=O |
17728 | Cn1ccnc1SCC(=O)Nc1cccc(O)c1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14cccc(O)c1.Cn1ccnc15.C3C2=O.S35.N24 |
17729 | O=C(CCc1c[nH]c2ccccc12)NCc1ccco1 | [O][=C][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16c[nH]c2ccccc12.O=C3CC6.c15ccco1.N34.C45 |
17730 | NC(=O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][S][Ring1][#C][C][C][Ring2][Ring1][Branch1] | c17cccc2ccccc12.C16CCN5CC1.c15nc7cs1.NC6=O |
17731 | Cn1cnnc1SCC(=O)N1CCc2ccccc21 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cn1cnnc15.C4C3=O.S45 |
17732 | CS(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][Ring2][Ring1][C] | N14CCN5CC1.c16ccc(F)cc1.c15nc6cs1.CS4(=O)=O |
17733 | CS(=O)(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P] | N14CCN5CC1.c15nc6cs1.c16ccccc1.CS4(=O)=O |
17734 | CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | c15ccc2c(c1)N3c1ccccc1CC2.CCS4(=O)=O.C3(C)=O.N45 |
17736 | O=C(C1c2ccccc2C(=O)N2CCCCC12)N1CCCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][#C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | O=C3C1c2ccccc2C(=O)N2CCCCC12.N13CCCCCC1 |
17737 | CCOC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][Ring1][=C] | c16cc2c(=O)[nH]c3ccccc3c2s1.C46=O.CC5.O45 |
17738 | CCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][=N][Ring1][#Branch1] | c16cc(=O)n(C)c2cc(Cl)ccc12.C3(=O)C5.CC4.O34.S56 |
17739 | CCC(C)NC(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][S][Ring1][#C] | c16cc2c(=O)[nH]c3ccc(C)cc3c2s1.CCC5C.C46=O.N45 |
17740 | CCOC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][S][Ring1][#C] | c16cc2c(=O)n(C)c3ccccc3c2s1.C46=O.CC5.O45 |
17741 | Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCCC4)sc3c2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2[nH]c(=O)c3cc6sc3c2c1.N15CCCC1.C56=O |
17742 | O=S(=O)(c1ccc(F)cc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S2(=O)c1ccc(F)cc1.N12CCCCCC1 |
17743 | O=S(=O)(Nc1ccc(Br)cn1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(F)cc1.c13ccc(Br)cn1.N23 |
17745 | CC(C)Cc1ccc(S(=O)(=O)Nc2ccccn2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.c14ccccn1.CC(C)C5.N34 |
17746 | CC(C)Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.c14cccnc1.CC(C)C5.N34 |
17747 | COc1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.N15CC(C)CC(C)C1.CO3.O4C |
17748 | COc1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S5(=O)=O)c1.N15CCCC(C)C1.CO3.O4C |
17749 | COc1ccc(OC)c(S(=O)(=O)N2CC(C)OC(C)C2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.N15CC(C)OC(C)C1.CO3.O4C |
17752 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S5(=O)=O)c1.c16ccccn1.CO3.O4C.N56 |
17753 | COc1ccc(S(=O)(=O)N2CC(C)CC(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.N15CC(C)CC(C)C1.CO3.O4C |
17754 | COc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.N15CCCC(C)C1.CO3.O4C |
17755 | COc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.N15CC(C)OC(C)C1.CO3.O4C |
17757 | NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S3(=O)(=O)c1ccc(F)cc1.C14CCCN3C1.NC4=O |
17758 | COc1ccc(S(=O)(=O)Nc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccn1.CO3.N56.O4C |
17759 | COc1ccc(S(=O)(=O)Nc2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.c16cccnc1.CO3.N56.O4C |
17760 | Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1oc6cc15.C6(C)(C)C.C35=O.N34 |
17761 | CCOC(=O)C1CCN(C(=O)c2ccc3snnc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring1][P] | c18ccc2snnc2c1.C17CCN5CC1.C47=O.C58=O.CC6.O46 |
17762 | CC1CC(C)CN(S(=O)(=O)c2cccs2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][#C] | CC1CC(C)CN3C1.S3(=O)(=O)c1cccs1 |
17763 | CC1Cc2ccccc2N1S(=O)(=O)c1cccs1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | CC1Cc2ccccc2N13.S3(=O)(=O)c1cccs1 |
17764 | O=C(NCc1ccc2c(c1)OCO2)c1ccc2snnc2c1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2c(c1)OCO2.c15ccc2snnc2c1.O=C35.N34.C46 |
17765 | Cc1cc[nH]c(=NS(=O)(=O)c2cccs2)c1 | [C][C][C][=C][NH1][C][=Branch1][S][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#C] | Cc1cc[nH]c(=NS(=O)(=O)c2cccs2)c1 |
17766 | O=C(NC1CCCCC1)c1ccc2snnc2c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2snnc2c1.C14CCCCC1.O=C35.N34 |
17768 | COc1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc2snnc2c1.c16ccc7cc1.C45=O.CO6.N47.N58 |
17769 | CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc(S4(=O)=O)cc1.N14CCCC(C)C1.CCC3=O.N35 |
17770 | CCC(=O)Nc1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.N14CC(C)OC(C)C1.CCC3=O.N35 |
17771 | C=CCN(CC=C)C(=O)Nc1ccc2snnc2c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17ccc2snnc2c1.C=CC5.N356.C6C=C.C34=O.N47 |
17772 | Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][#C][=N][Ring2][Ring1][Branch2] | Cc1cccc5n1.C16CC(=O)N8C1.c18ccc7cc1.C46=O.C7(C)C.N45 |
17773 | Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | S3(=O)(=O)c1ccc5cc1.Cc1ccnc4n1.C5C(C)C.N34 |
17774 | CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c16ccc(S3(=O)=O)cc1.c14ccccc15.CC(C)C6.C5(N)=O.N34 |
17775 | CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc(S3(=O)=O)cc1.c14ccc5cc1.CC(C)C6.C5(N)=O.N34 |
17777 | COc1cccc(NS(=O)(=O)Cc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c13cccc5c1.c16ccccc1.S4(=O)(=O)C6.CO3.N45 |
17778 | COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c13ccc6cc14.c17ccccc1.S5(=O)(=O)C7.CO3.N56.O4C |
17779 | COc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1cc4ccc15.c13cccc7c1.CO3.N67.O4C.O5C |
17780 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring2] | c13ccc4c(S6(=O)=O)c1.c17ccccc15.CO3.O4C.N67.O5C |
17781 | CCC(C)NS(=O)(=O)c1cc(OC)ccc1OC | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | S5(=O)(=O)c1cc2ccc13.CCC4C.N45.O2C.O3C |
17782 | COc1ccc(OC)c(S(=O)(=O)n2cccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][S] | c13ccc4c(S(=O)(=O)n2cccn2)c1.CO3.O4C |
17783 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(N)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch1] | c13ccc4c(S5(=O)=O)c1.c16ccccc17.C7(N)=O.CO3.O4C.N56 |
17784 | CCOc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c15ccc6c(S7(=O)=O)c1.N17CCOCC1.CC3.O35.O46.C4C |
17785 | COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4c5c1.c13ccc7cc1.CO3.N67.O4C.O5C |
17786 | COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4c5c1.c13cccc7c1.CO3.N67.O4C.O5C |
17787 | COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc3c4c1.c12ccccc16.CO2.N56.O3C.O4C |
17788 | CCC(C)NS(=O)(=O)c1ccc(OC)c(OC)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][Ring1][O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2c3c1.CCC4C.N45.O2C.O3C |
17789 | CCN(CC)S(=O)(=O)c1ccc(OC)c(OC)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][Ring1][O][C][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc2c3c1.N456.CC4.C5C.O2C.O3C |
17790 | COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1.N56C.CO3.C57.O4C |
17791 | COc1ccc(S(=O)(=O)n2cccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][=C][O][C] | c13ccc(S(=O)(=O)n2cccn2)cc14.CO3.O4C |
17792 | COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc17.C7(N)=O.CO3.N56.O4C |
17793 | O=C(Nc1ccccc1F)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c15ccccc1F.C17CCN4CC1.c16cccs1.O=C37.C46=O.N35 |
17794 | CCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(OC)cc1 | [C][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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc3cc1.N12CCCCC1.CCS5(=O)=O.C4C2=O.N456.O3C |
17795 | O=C(C1COc2ccccc2O1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | C15COc2ccccc2O1.N13CCN4CC1.c14ccc(F)cc1.O=C35 |
17796 | COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] | c14ccc(S6(=O)=O)cc1C.c17ccc2c(c1)OCO2.CO4.N56.C57 |
17798 | COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1 | [C][O][C][=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][S] | c13ccc(S4(=O)=O)c(C)c1.N14CCOCC1.CO3 |
17799 | COc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1 | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][S] | c13ccc(S4(=O)=O)c(C)c1.N14CCCCC1.CO3 |
17801 | COc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | c12cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C.CO2 |
17802 | COc1c(S(=O)(=O)N2CCOCC2)ccc(Cl)c1Cl | [C][O][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][S][Cl] | c13c(S4(=O)=O)ccc(Cl)c1Cl.N14CCOCC1.CO3 |
17803 | COc1c(S(=O)(=O)N2CCCCC2)ccc(Cl)c1Cl | [C][O][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][S][Cl] | c13c(S4(=O)=O)ccc(Cl)c1Cl.N14CCCCC1.CO3 |
17804 | COc1c(S(=O)(=O)NCc2ccco2)ccc(Cl)c1Cl | [C][O][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][P][Cl] | c13c(S5(=O)=O)ccc(Cl)c1Cl.c16ccco1.CO3.N45.C46 |
17805 | COc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c12cc(C)c(C)cc1S3(=O)=O.N13CCOCC1.CO2 |
17806 | COc1cc(C)c(C)cc1S(=O)(=O)N1CCCCCC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c12cc(C)c(C)cc1S3(=O)=O.N13CCCCCC1.CO2 |
17808 | COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl | [C][O][C][=Branch1][C][=O][C][N][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C2(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl.CO2 |
17809 | BrC1(Br)C2COCOCC21 | [Br][C][Branch1][C][Br][C][C][O][C][O][C][C][Ring1][#Branch1][Ring1][=Branch2] | BrC1(Br)C2COCOCC21 |
17811 | COc1ccc(C(=O)COC(=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17ccccc1.C6(=O)C4.C3(=O)C7.CO5.O34 |
17813 | CCC(Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1 | [C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc3c4c1.c17ccccc1.CCC5C7.C26=O.N25.O3C.O4C |
17814 | CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21 |
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