ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
19914 | COc1ccccc1C(=O)Nc1c(C)cccc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c14c(C)cccc1C.c13ccccc15.C25=O.CO3.N24 |
19916 | Cc1cc(Br)ccc1OCCn1ccnc1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][N][C][=C][N][=C][Ring1][Branch1] | Cc1cc(Br)ccc13.n14ccnc1.C2C4.O23 |
19918 | COc1ccccc1CC(=O)Nc1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccccc16.C6C3=O.CO4.N35 |
19920 | CC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][=Ring1][P][C] | c17ccc2c(c1)OCO2.c16sc5nc1C.CC6=O.C47=O.N45 |
19921 | CCC(c1ccccc1)c1nc(-c2cccnc2)no1 | [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc1.c13nc5no1.c15cccnc1.CCC34 |
19922 | COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.N15CCN8CC1.c18ccccc1F.C45=O.CO6.N47 |
19924 | COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1OC | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14cc(Cl)c(C)cc17.c15ccccc16.C2(=O)C3.CO4.N27.O35.O6C |
19925 | CNC(=O)CSc1nc2ccccc2c(=O)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c15nc2ccccc2c(=O)n1C.C3(=O)C4.CN3.S45 |
19927 | CC1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 | [C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S] | c14ccc(Cl)c(Cl)c1.CC1CCCN3C1.C34=O |
19928 | CC1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.CC1CCCCN12.C23=O |
19929 | Cc1cc(Br)ccc1OCC(=O)N1CCCC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1cc(Br)ccc14.N12CCCC1.C3C2=O.O34 |
19931 | CN(C)C(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ccccc1.C4(=O)CC7.CN3C.C36=O.N45 |
19932 | COC(=O)c1ccc(C)c(N(CCO)CCO)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][Ring1][=C] | c16ccc(C)c5c1.C26=O.N345.C3CO.C4CO.CO2 |
19935 | O=C(NCc1ccco1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.c15ccco1.O=C24.N23.C35 |
19936 | Clc1ccc(OCCn2ccnc2)cc1Cl | [Cl][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C][Cl] | Clc1ccc4cc1Cl.n15ccnc1.C3C5.O34 |
19937 | COc1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c15ccccc16.N14CCN7CC1.c17ccccc1F.C34=O.CO5.N36 |
19938 | Cc1cc(OCC(=O)NCc2ccco2)cc(C)c1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Br] | Cc1cc5cc(C)c1Br.c17ccco1.C4C3=O.O45.N36.C67 |
19939 | NC(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc4cc1.C16CCCCC1.C3(=O)CC6.NC5=O.N34 |
19940 | Cc1cc(OCC(=O)N2CCCC2)cc(C)c1Br | [C][C][=C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring1][S][Br] | Cc1cc5cc(C)c1Br.N13CCCC1.C4C3=O.O45 |
19941 | Clc1ccc(OCCn2ccnc2)c(Br)c1 | [Cl][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][#C] | Clc1ccc4c(Br)c1.n15ccnc1.C3C5.O34 |
19944 | CCOc1cccc(OCCn2cnc3ccccc3c2=O)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring2] | n18cnc2ccccc2c1=O.c16cccc7c1.C5C8.CC4.O46.O57 |
19945 | Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 | [C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cn1c6nnc18.c17ccccc1.C15CCCCC1.C4C3=O.C67.S48.N35 |
19947 | Nc1nc(N)c2sc3nc4c(cc3c2n1)CCC4 | [N][C][=N][C][Branch1][C][N][=C][S][C][=N][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring1][=C][C][C][C][Ring1][=Branch2] | Nc1nc(N)c2sc3nc4c(cc3c2n1)CCC4 |
19949 | COc1ccccc1CC(=O)Nc1ccc(OC)c(OC)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc4c5c1.c13ccccc17.C7C2=O.CO3.N26.O4C.O5C |
19950 | Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring1] | c15ccc(Br)cc1C.Cc1cccc6n1.C3(=O)C4.N36.O45 |
19951 | Cc1cc(Cl)c(OCCn2ccnc2)c(Br)c1 | [C][C][=C][C][Branch1][C][Cl][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][S] | Cc1cc(Cl)c4c(Br)c1.n15ccnc1.C3C5.O34 |
19952 | COc1c(C(=O)N2CCCC2)ccc2ccccc12 | [C][O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14c5ccc2ccccc12.N13CCCC1.C35=O.CO4 |
19953 | CC(=O)Nc1cccc(NC(=O)C2CC3CCC2C3)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring1][S] | c16cccc7c1.C18CC2CCC1C2.CC4=O.C58=O.N46.N57 |
19954 | NC(=O)c1ccccc1NC(=O)C1CC2CCC1C2 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | c16ccccc14.C15CC2CCC1C2.NC6=O.C35=O.N34 |
19956 | COc1ccc(CNC(=O)CCc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccccc1.C3(=O)CC8.CO4.C67.N36.O5C |
19957 | CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc(S4(=O)=O)cc1.c17ccc5cc1.C36=O.N4(C)C.CC7.N35 |
19959 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1C | [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][C] | C2(=O)C1=C(C)NC(=O)NC13.c13ccccc1C.CO2 |
19961 | COc1ccccc1CC(=O)Nc1ccc2c(c1)OCCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccccc16.C6C3=O.CO4.N35 |
19962 | CCC(c1ccccc1)c1nc(-c2ccccn2)no1 | [C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc1.c13nc5no1.c15ccccn1.CCC34 |
19963 | Cc1cc(Br)ccc1OCC(=O)NCc1ccco1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc(Br)ccc14.c16ccco1.C3C2=O.O34.N25.C56 |
19964 | CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C15CCCCC1.C3C2=O.CN34.N25 |
19965 | Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCC4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ncnc2sc3c(c12)CCC3.Cc1ccc7cc1.C57=O.N56 |
19967 | COc1cc(C(=O)Nc2nccs2)ccc1OC(C)=O | [C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][Branch1][C][C][=O] | c15cc8ccc16.c17nccs1.C48=O.C3(C)=O.CO5.N47.O36 |
19968 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C] | c15ccc(Cl)cc1Cl.Cc1nnc6s1.C4C3=O.S46.N35 |
19969 | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC3=O.c13ccccc1 |
19971 | Cc1ccnc(NC(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c17ccc(C)c(C)c1.Cc1ccnc5c1.C16CC(=O)N7C1.C46=O.N45 |
19972 | CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P] | c16ccc8cc1.c17ccccc15.CCC3=O.C48=O.N36.N47.O5C |
19973 | CCSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1 | [C][C][S][C][=N][C][Branch1][C][O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][NH1][Ring1][S] | c16nc(O)c4c(=O)[nH]1.c15ccccc1F.CC3.S36.C45 |
19974 | O=C(COc1ccc2ccccc2c1)Nc1ccc(O)cc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc2ccccc2c1.c16ccc(O)cc1.O=C3C4.O45.N36 |
19976 | COC(=O)c1ccccc1S(=O)(=O)C(C)(C)C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c13ccccc1S(=O)(=O)C(C)(C)C.C23=O.CO2 |
19977 | CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.N12CCCCC1.C3C2=O.CN34 |
19978 | COc1ccc(CC(=O)NC2CCCCC2C)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][P] | c14ccc6cc1.C15CCCCC1C.C6C3=O.CO4.N35 |
19979 | O=C(Nc1ccccc1F)C1CCN(C(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | c15ccccc1F.C16CCN4CC1.c17ccccc1.C4(=O)C7.O=C36.N35 |
19980 | COc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c18ccc2nc(C)c(C)nc2c1.c16ccc7cc1.C45=O.CO6.N47.N58 |
19981 | Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.Cc1nn(C)c(C)c13.N23 |
19982 | CCc1ccc(OCC(=O)Nc2ncc(C)s2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16ncc(C)s1.C4C3=O.CC7.O45.N36 |
19983 | CC(C)CNC(=O)c1ccc(NC(=O)Cc2cccs2)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc6cc1.c18cccs1.CC(C)C5.C4(=O)C8.C37=O.N35.N46 |
19984 | Cc1cnc(NC(=O)COc2ccc(Cl)cc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][P] | c15ccc(Cl)cc1.Cc1cnc6s1.C3(=O)C4.N36.O45 |
19985 | CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c17cccs1.CC5(C)C.C38=O.C47=O.N35.N46 |
19986 | CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16cc(Cl)c(O)c(Cl)c1.c15ccc7cc1.CC3=O.C47=O.O35.N46 |
19987 | COc1cccc(C(=O)Nc2cc3c(cc2C(C)=O)OCCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][C][O][Ring1][O][=C][Ring2][Ring1][=Branch1] | c16cc2c(cc18)OCCO2.c15cccc7c1.C47=O.C8(C)=O.CO5.N46 |
19988 | c1ccc(-c2nc3ccccc3nc2N2CCOCC2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15nc2ccccc2nc14.c1ccc5cc1.N14CCOCC1 |
19990 | Cn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1Cl | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.Cn1c3nnc14.C2C(N)=O.S23 |
19992 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc3ncccc3c2)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][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring2][Ring1][Ring1][C] | c16ccc2ncccc2c1.c14c5c(C)n6c1C.CC4=O.C5(C)=O |
19993 | COc1ccccc1-n1c(C)c(C(C)=O)c(C(C)=O)c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | n15c(C)c3c4c1C.c12ccccc15.C3(C)=O.C4(C)=O.CO2 |
19994 | O=C1CC(C(=O)Nc2ncccn2)C(c2ccccc2)O1 | [O][=C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | O=C1CC5C6O1.c14ncccn1.c16ccccc1.C35=O.N34 |
19995 | Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.C17CCN5CC1.c18ccccc1.C5(=O)C8.C47=O.N46 |
19996 | CC(C)C(=O)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16cccc(O)c1.CC(C)C3=O.C47=O.N35.N46 |
19997 | COc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c16cc(O)c2c(C)oc(C)c2c(=O)c1.c14ccc6cc15.CO4.O5C |
19998 | COc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C] | n14c(C)c2c(C)nnc(C)c2c1C.c13ccccc14.CO3 |
19999 | CC1=C(C(=O)N(C)C)C(c2ccccc2Cl)NC(=O)N1 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C4NC(=O)N1.c14ccccc1Cl.N3(C)C |
20000 | CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Br)cc1 | [C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Br)cc1.C3C2=O.CN34.C15CC1.N25 |
20001 | CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCCC1.C2(=O)C3.N345.CN2 |
20002 | Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cs2)n1 | [C][C][C][=C][Branch1][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][N][=Ring2][Ring1][C] | Cc1cc(C)n4n1.c15ccc(F)cc1.c14nc5cs1 |
20003 | Cc1cc(C)n(-c2nc(-c3ccc(C#N)cc3)cs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][S][Ring1][=N][N][=Ring2][Ring1][Ring1] | c15ccc(C#N)cc1.Cc1cc(C)n4n1.c14nc5cs1 |
20004 | CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.CC(C)(C)C3=O.c17ccco1.C47=O.N35.N46 |
20005 | O=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2 | [O][=C][C][Branch2][Ring1][Branch1][C][C][C][Ring1][Branch1][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring1][#Branch2][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring2][Ring1][=Branch1] | O=C1C2(CCC13COC1(CCCC1)OC3)COC1(CCCC1)OC2 |
20006 | O=C(CSc1nnnn1-c1ccccc1)OCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnnn16.c16ccccc1.c15ccccc1.O=C2C4.S47.O23.C35 |
20007 | COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1][O][C] | n16c(C)c2c(C)nnc(C)c2c1C.c14ccc6cc15.CO4.O5C |
20008 | COc1cccc(NS(=O)(=O)c2cccc3cccnc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1cccc2cccnc12.c14cccc6c1.CO4.N56 |
20009 | CC(=O)c1c(C(C)=O)c(C)n(C2CCCCC2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][#C][C] | c13c4c(C)n5c1C.C15CCCCC1.CC3=O.C4(C)=O |
20010 | Cc1sc(NC(=O)c2cccnc2)nc1-c1ccccc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc4nc16.c15cccnc1.c16ccccc1.C35=O.N34 |
20011 | NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 | [N][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] | S4(=O)(=O)c1ccccc1.c15ccccc1.NC(=O)C2.N234.C35 |
20012 | CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.c16ccco1.C3C2=O.CN35.N24.C46 |
20014 | CC(C)(C)OC(=O)N1CCCC1C(=O)NC1CCCCC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | N13CCCC17.C16CCCCC1.CC5(C)C.C23=O.C47=O.O25.N46 |
20015 | NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [N][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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.c15ccccc1.NC(=O)C2.N234.C35 |
20016 | CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.N12CCOCC1.C3C2=O.CN34 |
20017 | CC(=O)Oc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][Ring2][Ring1][C] | c16cc(Cl)c(O)c(Cl)c1.c15cccc7c1.CC3=O.C47=O.O35.N46 |
20018 | COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OC(C)=O | [C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][Branch1][C][C][=O] | c15cc8ccc16.c17ccc(O)cc1.C48=O.C3(C)=O.CO5.N47.O36 |
20019 | O=C(Nc1ccc2snnc2c1)NC1CCCCC1 | [O][=C][Branch1][#C][N][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2snnc2c1.C16CCCCC1.O=C34.N35.N46 |
20022 | COc1ccc2oc(=O)c(C(=O)Nc3ccccc3O)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c16ccccc1O.C47=O.CO5.N46 |
20023 | O=S(=O)(NCc1ccccn1)c1cccc2ccccc12 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S4(=O)c1cccc2ccccc12.c15ccccn1.N34.C35 |
20024 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(Cl)c(N)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][Cl][C][Branch1][C][N][=C][Ring1][Branch2][C][=Ring1][P][C] | c13c4c(C)n5c1C.c15ccc(Cl)c(N)c1.CC3=O.C4(C)=O |
20026 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(N)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][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][P][C] | c13c4c(C)n5c1C.c15ccc(N)c(C)c1.CC3=O.C4(C)=O |
20027 | CCc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15ccccn1.CC6.N34.C35 |
20028 | CSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c14ccc(F)cc1.C5C3=O.CS6.N34 |
20029 | Cc1ccc(C)c(S(=O)(=O)NCc2ccncc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c(S4(=O)=O)c1.c15ccncc1.N34.C35 |
20030 | COC(=O)Cn1c(C)c(C(C)=O)c(C(C)=O)c1C | [C][O][C][=Branch1][C][=O][C][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] | n15c(C)c3c4c1C.C2(=O)C5.C3(C)=O.C4(C)=O.CO2 |
20031 | Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | Cc1ccccc15.N13CCN4CC1.c16ccccc1C.C35=O.C46=O |
20032 | COc1cccc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c19ccc6c7c1.c15cccc8c1.C49=O.C3(C)=O.CO5.N48.O36.O7C |
20033 | Cc1cc(C)n(S(=O)(=O)c2cccc(Cl)c2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2cccc(Cl)c2Cl)n1 |
20034 | Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2C)n1 |
20036 | CCc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 | [C][C][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] | c14ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1.CC4 |
20037 | Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1 |
20038 | Cc1nnc(C)c2c(C)n(-c3ccc4c(c3)OCO4)c(C)c12 | [C][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][S] | Cc1nnc(C)c2c(C)n5c(C)c12.c15ccc2c(c1)OCO2 |
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