ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
13884 | O=C(NCCC1=CCCCC1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.C4CC1=CCCCC1.O=C35.N34 |
13885 | O=C(CSc1nc2ccccc2s1)NCC(=O)c1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccc2s1.c16ccccc1.O=C3C5.C4C6=O.S57.N34 |
13886 | O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1F | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2[nH]1.c15ccccc1F.O=C3C4.S46.N35 |
13887 | O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O | [O][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | S3(=O)(=O)c1ccc(Cl)cc1.c14ccccc1O.O=C24.N23 |
13888 | COc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | C6(=O)n1nc(C)c(C)c1C.c13cc6cc4c15.CO3.O4C.O5C |
13889 | COc1ccc(C(=O)n2nc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C][O][C] | C5(=O)n1nc(C)cc1C.c13ccc5cc14.CO3.O4C |
13890 | COc1ccc(C2NC(=O)c3ccccc3O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | C15NC(=O)c2ccccc2O1.c14ccc5cc1.CO4 |
13891 | COc1ccccc1C1(CC#N)CCOC(C)(C)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][C][#N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O] | C134CCOC(C)(C)C1.c12ccccc14.C3C#N.CO2 |
13893 | CCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N | [C][C][O][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] | c16sc2nc7ccc2c1N.c17cccnc1.C46=O.CC5.O45 |
13894 | COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(C(C)=O)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C(c1ccc(Cl)cc1)N3CC2.C3(C)=O.CO4.O5C |
13896 | COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21 | [C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][=N] | C5CCC1(C)C(=O)N(C)c2ccc(O)cc21.C34=O.N45C.CO3 |
13897 | O=S(=O)(c1ccc2ocnc2c1)c1ccc2ocnc2c1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][O][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][O][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | O=S(=O)(c1ccc2ocnc2c1)c1ccc2ocnc2c1 |
13898 | CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc6cc1.c15ccccc1.N345.C2(C)=O.CC3.N26 |
13899 | COc1ccc(C2(CNC(C)=O)CCOCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][C][O][C][C][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc8cc15.C178CCOCC1.C3(C)=O.CO4.C67.N36.O5C |
13900 | COc1cc2c(cc1OC)C(c1ccccn1)N(C(C)=O)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)C(c1ccccn1)N3CC2.C3(C)=O.CO4.O5C |
13901 | CCOC(=O)c1sc2nc3c(cc2c1N)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][C][Ring1][=Branch2] | c16sc2nc3c(cc2c1N)CCC3.C46=O.CC5.O45 |
13904 | CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | S6(=O)(=O)c1cccs1.c15ccc7cc1.CC3=O.N467.C4(C)=O.O35 |
13905 | CNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C14CC(=O)N5C1.c15ccc(Br)cc1.C34=O.CN3 |
13906 | O=C(NCc1ccccc1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][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.c16ccccc1.O=C35.N34.C46 |
13907 | CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][P] | c16c(C)oc2ccc5cc12.S4(=O)(=O)c1ccc(F)cc1.CC6=O.N45 |
13908 | CCc1nc2ccccc2c(=O)n1-c1ccccc1OC | [C][C][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][O][C] | c14nc2ccccc2c(=O)n15.c15ccccc13.CC4.O3C |
13909 | COc1cc(OC)cc(C(=O)n2nc(C)cc2C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | C5(=O)n1nc(C)cc1C.c13cc4cc5c1.CO3.O4C |
13910 | COC(=O)c1cc2ccc(Br)cc2[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c14cc2ccc(Br)cc2[nH]1.C34=O.CO3 |
13911 | CC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n16c(C)nc(=O)c7c1C.c15ccc6cc1.c17ccccc1.CC4=O.N45 |
13912 | N#Cc1ccc(-c2cccs2)nc1SCC(=O)NC1CC1 | [N][#C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | N#Cc1ccc7nc16.c17cccs1.C4C3=O.C15CC1.S46.N35 |
13913 | CC(C)c1nnc(NC(=O)CCc2ccccc2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c15nnc4s1.c16ccccc1.C3(=O)CC6.CC5C.N34 |
13914 | CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2ccc(Br)cc2c1=O.C3(=O)C5.CC4C.O34 |
13915 | CC(C)COC(=O)Cn1cnc2ccc(Br)cc2c1=O | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2ccc(Br)cc2c1=O.CC(C)C4.C3(=O)C5.O34 |
13916 | CCOc1ccc(C=c2sc3ncnn3c2=O)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S][O][C][C] | c16ccc(C=c2sc3ncnn3c2=O)cc17.CC4.O46.O57.C5C |
13921 | C=CCN(CC=C)S(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc6cc1.C=CC3.N345.C4C=C.C2(C)=O.N26 |
13922 | COC(=O)C1C2C=CC3(CN(c4ccc(C)cc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c17ccc(C)cc1.C56=O.CO5 |
13923 | COC(=O)C1C2C=CC3(CN(c4ccccc4C)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c17ccccc1C.C56=O.CO5 |
13924 | CCOC(=O)C1C2C=CC3(CN(c4ccccc4C)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccccc1C.C57=O.CC6.O56 |
13925 | Cc1ccccc1N1CC23C=CC(O2)C(C(=O)OC(C)C)C3C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][=O] | N17CC23C=CC(O2)C6C3C1=O.Cc1ccccc17.C46=O.C5(C)C.O45 |
13926 | COc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | N19CC23C=CC(O2)C8C3C1=O.c17ccc9cc1.C58=O.C6(C)C.CO7.O56 |
13927 | COC(=O)C1C2C=CC3(CN(c4ccc(OC)cc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccc6cc1.C57=O.CO5.O6C |
13928 | CCOC(=O)C1C2C=CC3(CN(c4ccccc4OC)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C18C2C=CC3(CN9C(=O)C13)O2.c19ccccc17.C58=O.CC6.O56.O7C |
13929 | COC(=O)C1C2C=CC3(CN(c4ccccc4OC)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccccc16.C57=O.CO5.O6C |
13930 | CCOC(=O)C1C2C=CC3(CN(c4ccccc4Cl)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c18ccccc1Cl.C57=O.CC6.O56 |
13931 | Cc1cc(C)n(CC(O)COc2c(C)cccc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][=Ring2][Ring1][Ring1] | c14c(C)cccc1C.Cc1cc(C)n5n1.C5C(O)C3.O34 |
13932 | COC(=O)C1C2C=CC3(CN(c4ccccc4Cl)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c17ccccc1Cl.C56=O.CO5 |
13933 | COC(=O)C1C2C=CC3(CN(c4ccc(Cl)cc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c17ccc(Cl)cc1.C56=O.CO5 |
13935 | CC(C)OC(=O)C1C2C=CC3(CN(C4CCCCC4)C(=O)C13)O2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S] | C17C2C=CC3(CN8C(=O)C13)O2.C18CCCCC1.CC6C.C57=O.O56 |
13938 | COc1cccc(NC(=O)CC2CC(C)(C)OC2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C] | C16CC(C)(C)OC1=O.c14cccc5c1.C3(=O)C6.CO4.N35 |
13940 | CCc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 | [C][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.c17ccccc15.C26=O.CC7.N25.O3C.O4C |
13941 | O=C(Nc1ccc(Cl)c(Cl)c1)c1cc[nH]n1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1] | c13ccc(Cl)c(Cl)c1.c14cc[nH]n1.O=C24.N23 |
13942 | O=C(c1ccn(C(=O)NC2CCCCC2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][=C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c16ccn(C4=O)n1.C15CCCCC1.N13CCOCC1.O=C36.N45 |
13943 | CC(=O)n1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | CC(=O)n1ccc5n1.c14ccc(Cl)c(Cl)c1.C35=O.N34 |
13944 | CCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1 | [C][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)n1ccc7n1.c16ccccc1F.C47=O.CC5.O35.N46 |
13945 | CCOc1ccc(NC(=O)CC2CC(C)(C)OC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | C17CC(C)(C)OC1=O.c15ccc6cc1.C3(=O)C7.CC4.O45.N36 |
13946 | Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.N14CCN5CC1.c17ccc(C)cc1.C46=O.C57=O |
13947 | Cc1nnc(NC(=O)CSc2nccn2C)s1 | [C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][S][Ring1][S] | Cc1nnc5s1.c16nccn1C.C3(=O)C4.N35.S46 |
13948 | CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2o1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c18nc2ccccc2o1.c16[nH]c(=O)[nH]c17.C36=O.CC4.O34.C57.S58 |
13949 | COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][N][=C][N][Branch1][O][C][=Branch1][C][=O][C][=Ring1][#Branch1][S][Ring1][#Branch2][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16cc2nc3n(c(=O)c2s1)CCC3.c15ccc6cc1.CO5 |
13951 | COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c17ccc2c(c1)OCCO2.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
13954 | Cc1ccc2ccc(S(=O)(=O)n3ccnc3)cc2c1 | [C][C][=C][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2ccc(S(=O)(=O)n3ccnc3)cc2c1 |
13955 | Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][N][=Ring2][Ring1][Ring1] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.Cc1cc(C)n4n1 |
13956 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15nccc(C)n1.CCC3=O.N36.N45 |
13957 | CC(=O)Nc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1.CC4=O.N45 |
13958 | CN1CCCc2c1n(Cc1ccccc1)c1ccccc1c2=O | [C][N][C][C][C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | CN1CCCc2c1n3c1ccccc1c2=O.c14ccccc1.C34 |
13959 | COc1ccccc1C(=O)Nc1ccc2ncccc2c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ncccc2c1.c14ccccc16.C36=O.CO4.N35 |
13960 | CC(C)c1ccc(C=c2sc3ncnn3c2=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S] | c14ccc(C=c2sc3ncnn3c2=O)cc1.CC4C |
13961 | CC(C)(C)c1ccc(C=c2sc3ncnn3c2=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S] | c14ccc(C=c2sc3ncnn3c2=O)cc1.CC4(C)C |
13962 | COc1ccccc1C=c1sc2ncnn2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O] | c13ccccc1C=c1sc2ncnn2c1=O.CO3 |
13963 | COc1cccc(C=c2sc3ncnn3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][=C][Ring1][S] | c14cccc(C=c2sc3ncnn3c2=O)c1.CO4 |
13964 | CCOc1ccccc1C=c1sc2ncnn2c1=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O] | c14ccccc1C=c1sc2ncnn2c1=O.CC3.O34 |
13965 | c1ccn(-c2ncnc3sc4c(c23)CCCC4)c1 | [C][C][=C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=Ring2][Ring1][C] | c15ncnc2sc3c(c12)CCCC3.c1ccn5c1 |
13966 | O=c1c(=Cc2ccccc2Cl)sc2ncnn12 | [O][=C][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=N][C][=N][N][Ring1][S][Ring1][Branch1] | O=c1c(=Cc2ccccc2Cl)sc2ncnn12 |
13967 | O=c1c(=Cc2cccc(Cl)c2)sc2ncnn12 | [O][=C][C][=Branch1][=N][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][=N][C][=N][N][Ring1][S][Ring1][Branch1] | O=c1c(=Cc2cccc(Cl)c2)sc2ncnn12 |
13968 | O=c1c(=Cc2ccc(Cl)cc2)sc2ncnn12 | [O][=C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=N][C][=N][N][Ring1][S][Ring1][Branch1] | O=c1c(=Cc2ccc(Cl)cc2)sc2ncnn12 |
13969 | O=c1c(=Cc2ccc(Br)cc2)sc2ncnn12 | [O][=C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][C][=N][C][=N][N][Ring1][S][Ring1][Branch1] | O=c1c(=Cc2ccc(Br)cc2)sc2ncnn12 |
13970 | COc1ccc(C=c2sc3ncnn3c2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc(C=c2sc3ncnn3c2=O)c5c1.CO4.O5C |
13971 | CC(=O)Oc1cccc(C=c2sc3ncnn3c2=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][=C][Ring1][S] | c15cccc(C=c2sc3ncnn3c2=O)c1.CC4=O.O45 |
13972 | COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c16ccccc1.C2(=O)C3.N345.CO2.C46 |
13973 | CCOc1ccc(C=c2sc3ncnn3c2=O)cc1OC | [C][C][O][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S][O][C] | c15ccc(C=c2sc3ncnn3c2=O)cc16.CC4.O45.O6C |
13974 | COc1ccc(OC)c(C=c2sc3ncnn3c2=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][=C][Ring2][Ring1][C] | c14ccc5c(C=c2sc3ncnn3c2=O)c1.CO4.O5C |
13976 | COc1ccc(Br)cc1C=c1sc2ncnn2c1=O | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O] | c13ccc(Br)cc1C=c1sc2ncnn2c1=O.CO3 |
13977 | O=c1c(=Cc2cccc(Oc3ccccc3)c2)sc2ncnn12 | [O][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][S][C][=N][C][=N][N][Ring2][Ring1][=Branch1][Ring1][Branch1] | O=c1c(=Cc2cccc4c2)sc2ncnn12.c15ccccc1.O45 |
13978 | CCc1ccc(C=c2sc3ncnn3c2=O)cc1 | [C][C][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S] | c14ccc(C=c2sc3ncnn3c2=O)cc1.CC4 |
13979 | O=c1c(=Cc2ccccc2Br)sc2ncnn12 | [O][=C][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][S][C][=N][C][=N][N][Ring1][S][Ring1][Branch1] | O=c1c(=Cc2ccccc2Br)sc2ncnn12 |
13980 | COc1ccccc1C=CC=c1sc2ncnn2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O] | C=4C=c1sc2ncnn2c1=O.c13ccccc1C=4.CO3 |
13981 | CSc1ccc(C=c2sc3ncnn3c2=O)cc1 | [C][S][C][=C][C][=C][Branch1][#C][C][=C][S][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][Branch2][=O][C][=C][Ring1][S] | c14ccc(C=c2sc3ncnn3c2=O)cc1.CS4 |
13983 | O=S1(=O)N=C(N2CCOCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)N=C(N2CCOCC2)c2ccccc21 |
13984 | CC(C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccccc16.CC4C.C35=O.N34 |
13985 | Cc1nn2c(=O)c(=CC=Cc3ccccc3)sc2nc1=O | [C][C][=N][N][C][=Branch1][C][=O][C][=Branch1][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=N][C][Ring2][Ring1][Ring1][=O] | Cc1nn2c(=O)c(=CC=4)sc2nc1=O.C=4c1ccccc1 |
13986 | Cc1cc(C)nc(NC(=O)OCc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc6n1.c17ccccc1.C34=O.N46.O35.C57 |
13987 | O=S1(=O)N=C(Nc2ccccc2Cl)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccc1Cl |
13988 | O=C(Nc1ccccn1)c1cc2cc(Br)ccc2oc1=O | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.c14ccccn1.O=C35.N34 |
13989 | CC(=O)Nc1ccc(C(=O)Nc2ccccc2Br)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][Br][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1Br.CC3=O.C47=O.N35.N46 |
13990 | COc1cc2nc(C(C)Oc3ccccc3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][=C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C] | c15cc2nc8oc(=O)c2cc17.c16ccccc1.C48C.CO5.O46.O7C |
13991 | NC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1 | [N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Branch1] | C16CC(=O)N8C1.c18ccc5cc1.c17ccc(F)cc1.NC6=O.O45.C47 |
13993 | Cc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1C#N | [C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring1][C][#N] | Cc1nn2c4cc5nc2c1C#N.c15ccccc1.C4(F)(F)F |
13994 | Cc1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3 | [C][C][C][=C][N][=C][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][C][C][C][C][Ring1][=N] | Cc1cc2nc3c(c4n2n1)CCCC3.C4(F)(F)F |
13995 | COc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring1][P] | c15cc2nc(C)cc(C)n2n1.c14ccc5cc1.CO4 |
13996 | CCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][S][C] | c16c(C)nc2cc7nn2c1C.c17ccccc1.C4(=O)C6.CC5.O45 |
13997 | CCOC(=O)Cc1c(C)nc2cc(-c3ccc(OC)cc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][Ring1][=N][C][=Ring2][Ring1][C][C] | c17c(C)nc2cc8nn2c1C.c18ccc6cc1.C4(=O)C7.CC5.O45.O6C |
13999 | CCOC(=O)c1cnc2cc(C)nn2c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnc2cc(C)nn2c16.c16ccccc1.C35=O.CC4.O34 |
14001 | COc1ccc(-c2cc3ncc(C(C)=O)c(C)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16cc2ncc5c(C)n2n1.c14ccc6cc1.C5(C)=O.CO4 |
14002 | Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1O2 | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][=C] | Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1O2 |
14003 | Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1C#N | [C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][C][C][#N] | Cc1nn2c4cc5nc2c1C#N.c15cccs1.C4(F)(F)F |
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