ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
22915 | CCc1cc(C(N)=O)c(NC(=O)c2ccc(OC)cc2)s1 | [C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][Ring1] | c18cc6c5s1.c17ccc4cc1.C6(N)=O.C37=O.CC8.N35.O4C |
22916 | CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][O][Ring1][P] | c15cc2c(cc14)OCO2.c16ccc(C)cc1.CC5=O.C36=O.N34 |
22917 | Cc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1onc6c15.c16ccccc1.c14cccnc1.C35=O.O34 |
22918 | CCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring2][Ring1][Ring1] | c15sc(C)c(C)c17.n18cc6cn1.C46=O.C37=O.CC8.N45.O3C |
22919 | CCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][=N][Ring2][Ring1][Ring2] | c15sc(C)c(C)c17.n18cc6c(C)n1.C46=O.C37=O.CC8.N45.O3C |
22921 | COc1cc(SC)ccc1C(=O)Nc1ccncc1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13cc6ccc15.c14ccncc1.C25=O.CO3.S6C.N24 |
22922 | COc1cc(SC)ccc1C(=O)NCc1ccccc1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc7ccc15.c16ccccc1.C25=O.CO3.S7C.N24.C46 |
22923 | O=C(Cc1cccs1)Nc1ccc(F)c(F)c1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.c14cccs1.O=C2C4.N23 |
22924 | CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c18c6sc2c1CCCC2.c17cccs1.C38=O.C47=O.CC5.N35.N46 |
22925 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S7(=O)(=O)c1ccc8cc1.c19ccccc1.N567.C34=O.CC5.C6C.N38.N49 |
22926 | COc1cccc(C(=O)c2nc3ccccc3n2C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c16nc2ccccc2n1C.c14cccc7c15.C67=O.CO4.O5C |
22927 | CC(C)n1c(C(O)c2nc3ccccc3n2C)nc2ccccc21 | [C][C][Branch1][C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n14c5nc2ccccc21.c16nc2ccccc2n1C.CC4C.C56O |
22928 | CCn1ccnc1C(O)c1ccc(OCc2ccccc2)c(OC)c1 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S] | c18ccc4c5c1.n16ccnc17.c19ccccc1.C78O.CC6.O34.C39.O5C |
22929 | CCn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc4cc1.n15ccnc16.c18ccccc1.C67O.CC5.O34.C38 |
22930 | Cc1cccc(C(=O)Nc2ccc3c(c2)ncn3C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc2c(c1)ncn2C.Cc1cccc6c1.C46=O.N45 |
22931 | Cc1cccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc2c(c1)nc(C)n2C.Cc1cccc6c1.C46=O.N45 |
22932 | CC(C)NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][#C] | c16ccc7cc1.C4C(F)(F)C(F)F.CC5C.C26=O.N25.C37.O34 |
22933 | CCC(C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c15cc6ccc17.CCC(C)C4=O.C26=O.C37=O.N45.O2C.O3C |
22934 | O=C(Cc1ccc(Br)cc1)NCc1ccccn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Br)cc1.c14ccccn1.O=C2C5.N23.C34 |
22935 | CNC(=O)C(Sc1ccccc1)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.C2(=O)C34.CN2.S35 |
22937 | COc1cc(SC)ccc1C(=O)N1CCCC(C)C1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c13cc5ccc14.N12CCCC(C)C1.C24=O.CO3.S5C |
22938 | Cc1ccc(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2] | C2(=O)CC(O)(C(F)(F)F)C(F)(F)F.Cc1ccc3cc1.N23 |
22939 | COC(=O)c1cc(NC(=O)CC(C)(C)C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C] | c16cc5cc7c1.C4(=O)CC(C)(C)C.C26=O.C37=O.CO2.N45.O3C |
22940 | CCC(C)(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15cc6cc7c1.CCC(C)(C)C4=O.C26=O.C37=O.N45.O2C.O3C |
22941 | CCC(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15cc6cc7c1.CCC(C)C4=O.C26=O.C37=O.N45.O2C.O3C |
22942 | CCOC(=O)N1CCN(C(=O)c2c(Cl)cnn2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][C][Ring1][#C] | N14CCN5CC1.c17c(Cl)cnn1C.C34=O.C57=O.CC6.O36 |
22943 | Cc1ccnc(NC(=O)Cc2ccc(Br)cc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P] | Cc1ccnc4c1.c15ccc(Br)cc1.C3(=O)C5.N34 |
22945 | CCn1cc(Br)c(C(=O)Nc2c(C)cc(C)cc2C)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][C] | c14c(C)cc(C)cc1C.n16cc(Br)c5n1.C35=O.CC6.N34 |
22946 | CC(Oc1ccccc1)C(=O)Nc1cccc(F)c1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c14ccccc1.CC3C2=O.O34.N25 |
22947 | CCN(CC)C(=O)c1ccc(SC)cc1OC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C] | c16ccc7cc13.N245.C26=O.CC4.C5C.S7C.O3C |
22948 | COc1cc(SC)ccc1C(=O)NCc1cccnc1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc7ccc15.c16cccnc1.C25=O.CO3.S7C.N24.C46 |
22949 | COC(=O)c1ccc(COc2ccc(F)cc2F)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][Ring1][#C] | c15ccc(F)cc1F.c16ccc7o1.C36=O.CO3.C47.O45 |
22950 | COc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c17ccc5cc1.O5C(F)F.C37=O.CO4.N36 |
22951 | CCNc1nnc(-c2nn(C)c(C)c2Cl)s1 | [C][C][N][C][=N][N][=C][Branch1][#C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][S][Ring1][=N] | c15nn(C)c(C)c1Cl.c14nnc5s1.CC3.N34 |
22952 | CCc1noc(C)c1C(=O)Nc1ncc(C)s1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15noc(C)c14.c13ncc(C)s1.C24=O.CC5.N23 |
22953 | NC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc5cc1.c17ccc4cc1.O4C(F)F.NC6=O.C37=O.N35 |
22954 | Cn1cc(Br)c(C(=O)NCc2cc3ccccc3[nH]2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c17cc2ccccc2[nH]1.Cn1cc(Br)c6n1.C46=O.N45.C57 |
22955 | COc1cc(NC(=O)c2ccc(OC(F)F)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14cc6cc7c1.c18ccc5cc1.O5C(F)F.C38=O.CO4.N37.O6C |
22956 | CCOc1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.c18cnn7c1C.N56C.CC3.O34.C58.C7C |
22957 | CC(C)CNC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=N][N][=Ring1][S] | c16cc2nc8cc7n2n1.CC(C)C5.C7(F)(F)F.C46=O.C18CC1.N45 |
22958 | CCc1c(C(=O)Nc2nnc(-c3cccnc3)s2)csc1C | [C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][=C][S][C][=Ring2][Ring1][Ring1][C] | c17c6csc1C.c15nnc8s1.c18cccnc1.C46=O.CC7.N45 |
22959 | Cc1ccccc1OCC(=O)Nc1ccc(Cl)cn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | Cc1ccccc14.c15ccc(Cl)cn1.C3C2=O.O34.N25 |
22960 | Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccnc2)c1C | [C][C][=C][C][Branch1][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][Ring2][Ring1][C][C] | Cc1cc(C)c(C)c(S3(=O)=O)c1C.c14cccnc1.N34 |
22962 | COc1cc(NC(C)=O)ccc1NC(=O)c1cc2ccccc2o1 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c18cc2ccccc2o1.c15cc6ccc17.C3(C)=O.C48=O.CO5.N36.N47 |
22963 | CCOC(=O)Nc1snc(C)c1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][N][C][S][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][C] | c17snc(C)c18.C24=O.C38=O.CC5.O25.N47.O36.C6C |
22964 | COc1cccc(CNn2cnnc2)c1OCc1ccccc1F | [C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14cccc6c15.C6Nn1cnnc1.c17ccccc1F.CO4.O35.C37 |
22965 | CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)nn1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=N][N][Ring1][S][C] | c16ccc(C)c(F)c1.c17cc8nn1C.C37=O.C48=O.CC5.O35.N46 |
22966 | CCOC(=O)c1cc(C(=O)Nc2ccc(F)cc2)nn1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][C] | c17cc8nn1C.c16ccc(F)cc1.C37=O.C48=O.CC5.O35.N46 |
22967 | CCOC(=O)c1cc(C(=O)Nc2ccccc2F)nn1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][Ring1][#C][C] | c17cc8nn1C.c16ccccc1F.C37=O.C48=O.CC5.O35.N46 |
22968 | CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c19cc2ccccc2o1.c17ccc8c6c1.CCC4=O.C59=O.N47.N58.O6C |
22969 | CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)nn1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][C] | c17cc8nn1C.c16cccc(C)c1.C37=O.C48=O.CC5.O35.N46 |
22970 | COC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][O][Ring1][P] | c15c(F)c(F)cc(F)c1F.c16ccc7o1.C36=O.CO3.C47.O45 |
22971 | Cc1cc(C)c2c(N)c(C(=O)N3CCCC3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][Ring1][=N][=N][Ring2][Ring1][C] | Cc1cc(C)c2c(N)c5sc2n1.N14CCCC1.C45=O |
22972 | COC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][P][C] | c17sc6c9c1C.c18ccco1.C37=O.C58=O.C49=O.CO3.N56.O4C |
22974 | COC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 | [C][O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][S][Ring1][#Branch1] | c15c6nc2ccc(Cl)cn12.c16ccccc1.C34=O.CO3.N45 |
22975 | Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | Cc1cc(=O)oc2cc4ccc12.C3C(=O)C(C)(C)C.O34 |
22976 | Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N][O][C][Ring2][Ring1][C][=O] | Cc1c(C)c2ccc5cc2oc1=O.C4C3=O.N3(C)C.O45 |
22977 | Cc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | Cc1c(C)c2ccc5c(C)c2oc1=O.C4C3=O.N3(C)C.O45 |
22978 | O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C18CCN4CC1.c17ccccc1.c16ccccc1.O=C36.C47=O.N35.C58 |
22980 | CCS(=O)(=O)NCc1ccc(Cl)c(Cl)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.CCS3(=O)=O.N23.C24 |
22981 | COC(NC(=O)c1ccco1)C(Cl)(Cl)Cl | [C][O][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C34C(Cl)(Cl)Cl.c15ccco1.C25=O.CO3.N24 |
22982 | COc1cc(C(=O)Nc2cc(F)ccc2F)ccc1OC(F)F | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][C][=C][Ring1][P][O][C][Branch1][C][F][F] | c14cc7ccc15.c16cc(F)ccc1F.O5C(F)F.C37=O.CO4.N36 |
22983 | O=C(Nc1ccccc1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][N][N][=Ring1][#C] | c15cc2nc6cc7n2n1.c14ccccc1.O=C35.C6(F)F.C7(F)F.N34 |
22984 | O=C(NCc1ccccc1)NC(O)C(Cl)(Cl)Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c16ccccc1.C5(O)C(Cl)(Cl)Cl.O=C23.N24.C46.N35 |
22985 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1F | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.n14nc5cc16.O=C2C4.C5(F)(F)F.C16CC1.N23 |
22987 | Cc1c(C(N)=O)c(-c2ccccc2)nn1-c1ccccc1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c3c5nn14.c15ccccc1.c14ccccc1.C3(N)=O |
22988 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cc(F)ccc1F | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c13cc(F)ccc1F.n14nc5cc16.O=C2C4.C5(F)(F)F.C16CC1.N23 |
22989 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.n14nc5cc16.O=C3C4.C5(F)(F)F.C16CC1 |
22990 | COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | c13ccccc14.n15nc6cc17.C2(=O)C5.C6(F)(F)F.C17CC1.CO3.N24 |
22991 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | n14nc5cc16.c13cccc(F)c1.O=C2C4.C5(F)(F)F.C16CC1.N23 |
22992 | Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.n15nc6cc17.C3(=O)C5.C6(F)(F)F.C17CC1.N34 |
22993 | COc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC(F)F | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][Branch1][C][F][F] | c14cc7ccc15.c16ccc(F)c(F)c1.O5C(F)F.C37=O.CO4.N36 |
22994 | COc1ccccc1NC(NC(=O)N(C)C)C(Cl)(Cl)Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c14ccccc17.C56C(Cl)(Cl)Cl.C23=O.N3(C)C.CO4.N57.N26 |
22995 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=N][C][=C][S][Ring1][Branch1] | n14nc5cc16.c13nccs1.O=C2C4.C5(F)(F)F.C16CC1.N23 |
22996 | COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OC(F)F | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C][Branch1][C][F][F] | c17ccc2c(c1)CCC2.c15cc8ccc16.O6C(F)F.C48=O.CO5.N47 |
22997 | COC(NC(=O)c1ccccc1)C(Cl)(Cl)Cl | [C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C34C(Cl)(Cl)Cl.c15ccccc1.C25=O.CO3.N24 |
22998 | Cc1nn(-c2ccccc2)c(C)c1C(=O)n1ncnc1N | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][N][=C][N][=C][Ring1][Branch1][N] | Cc1nn4c(C)c13.C3(=O)n1ncnc1N.c14ccccc1 |
22999 | CCOc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Ring1][O][C][=C][Ring1][N] | c18ccc5c6c1.c14ccccc17.O5C(F)F.C28=O.CC3.O34.N27.O6C |
23000 | COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1] | c14ccc5cc1.n16nc7cc18.C3(=O)C6.C7(F)(F)F.C18CC1.CO4.N35 |
23002 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n14nc5cc16.c13ccc(F)cc1.O=C2C4.C5(F)(F)F.C16CC1.N23 |
23003 | CC(C)(C)c1ccc(S(=O)(=O)n2cccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][=C] | c13ccc(S(=O)(=O)n2cccn2)cc1.CC3(C)C |
23004 | O=C(Nc1nnc(C(F)(F)F)s1)C1CC1c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.c13nnc5s1.C5(F)(F)F.C14CC16.O=C24.N23 |
23005 | CCOC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=Ring1][#C][Ring1][N] | c16cnn2c7cc8nc12.C46=O.C7(F)F.C18CC1.CC5.O45 |
23006 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n14nc5cc17.c16ccc(F)cc1.O=C2C4.C5(F)(F)F.C17CC1.N23.C36 |
23007 | CC(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 | [C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14nc5cc17.c16ccccc1.C2(=O)C4.C5(F)(F)F.CC36.C17CC1.N23 |
23008 | N#Cc1cnn2c(C(F)(F)F)cc(C3CC3)nc12 | [N][#C][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=Ring1][S][Ring1][=N] | N#Cc1cnn2c4cc5nc12.C4(F)(F)F.C15CC1 |
23009 | O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14nc5cc17.c16ccccc1.O=C2C4.C5(F)(F)F.C17CC1.N23.C36 |
23010 | CC1=C(C(=O)Nc2ccccc2)C(c2cn(C)nc2C)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15cn(C)nc1C.c14ccccc1.N34 |
23011 | CCOC(=O)c1cc(C(=O)NCc2ccc(F)cc2)nn1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C] | c17cc8nn1C.c19ccc(F)cc1.C37=O.C48=O.CC5.O35.N46.C69 |
23012 | CCOC(=O)c1c(C)nsc1NCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c(C)nsc15.c17ccccc1.C26=O.CC3.O23.N45.C47 |
23013 | CCC(NC(=O)c1c(Cl)cnn1C)c1ccc(C(C)C)cc1 | [C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | c14c(Cl)cnn1C.c15ccc6cc1.CCC35.C24=O.C6(C)C.N23 |
23014 | COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc16.c18ccc5cc1.O5C(F)F.C38=O.CO4.N37.O6C |
23015 | CCOC(=O)c1cnn2c(C(F)F)cc(C(F)F)nc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][=Ring1][#C][Ring1][N] | c15cnn2c6cc7nc12.C35=O.C6(F)F.C7(F)F.CC4.O34 |
23016 | Cc1cc(C)c(C#N)c(NC(=O)c2ccn(C)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc4c(C#N)c(C)c1.c15ccn(C)n1.C35=O.N34 |
23017 | COc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16cc5n2ncc(C#N)c2n1.c14ccc6cc1.C5(F)(F)F.CO4 |
23018 | Cc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring1][Branch1] | n15nc6cc17.Cc1cc4no1.C3(=O)C5.C6(F)(F)F.C17CC1.N34 |
23019 | CCn1cc(Cl)c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c18cc2cc(Cl)ccc2[nH]1.n17cc(Cl)c6n1.C46=O.CC7.N45.C58 |
23020 | CCn1cc(Cl)c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Ring1][Branch2][C][Branch1][C][N][=O][=N][Ring2][Ring1][Ring2] | n17cc(Cl)c5n1.c14sc8cc16.C35=O.C8(C)C.C6(N)=O.CC7.N34 |
23021 | CCNc1nnc(CCn2nc(C)c(Br)c2C)s1 | [C][C][N][C][=N][N][=C][Branch1][P][C][C][N][N][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][S][Ring1][#C] | n15nc(C)c(Br)c1C.c14nnc6s1.C6C5.CC3.N34 |
23023 | Cc1c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cnn1C | [C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=N][N][Ring2][Ring1][Branch1][C] | Cc1c4cnn1C.n15nc6cc17.C3(=O)C5.C6(F)(F)F.C17CC1.N34 |
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