ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934852 | COCc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][O][Ring2][Ring1][Ring2] | c19ccc7o1.c16ccn8n1.c1%10ccccc1.C47=O.CO5.C59.N46.C8%10 |
1934853 | CCNC(=O)C1CCN(C(=O)NCCC2CCCC2)CC1 | [C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S] | C18CCN4CC1.C19CCCC1.C38=O.C45=O.C7C9.CC6.N36.N57 |
1934854 | CS(=O)(=O)N1CCCN(C(=O)NC2CCCc3occc32)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | N5C1CCCc2occc21.N16CCCN4CC1.CS6(=O)=O.C45=O |
1934855 | O=C(NC1CCCc2occc21)N1CCOC(c2ccccc2)C1 | [O][=C][Branch1][#C][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | N3C1CCCc2occc21.N14CCOC5C1.c15ccccc1.O=C34 |
1934856 | Cn1cnnc1CNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 | [C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring1][=Branch2][=C][Ring1][=N] | c16ccc2oc8nc2c1.Cn1cnnc17.C8(C)(C)C.C34=O.C57.N35.N46 |
1934857 | O=C(Nc1ccc(-c2cnco2)cc1)c1ccoc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][C][C][=C][O][C][=Ring1][Branch1] | c14ccc6cc1.c16cnco1.c15ccoc1.O=C35.N34 |
1934859 | O=S(=O)(NCc1ccn(-c2ccccc2)n1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | O=S(=O)(N3)N1CCOCC1.c14ccn5n1.c15ccccc1.C34 |
1934860 | Cn1cc(CCCSc2nnc(N3CCCC3)n2C2CC2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][C][C][S][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch1] | c18nnc5n17.Cn1cc6cn1.N15CCCC1.C6CC4.C17CC1.S48 |
1934861 | O=C(CCc1ccncc1)N1CCN(CC=Cc2ccccc2)CC1 | [O][=C][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN4CC1.C=5c1ccccc1.c16ccncc1.O=C3CC6.C4C=5 |
1934862 | c1ccc2c(c1)Cc1c(ncnc1NCC1COCCO1)CO2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][Branch1][P][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][O][C][C][O][Ring1][=Branch1][C][O][Ring2][Ring1][Ring2] | c1ccc2c(c1)Cc1c4ncnc1CO2.C15COCCO1.N34.C35 |
1934863 | CCOCC1CCCN1C(=O)c1cnc(-c2cccnc2)nc1C | [C][C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C] | c16cnc8nc1C.C17CCCN13.c18cccnc1.C36=O.CC4.O45.C57 |
1934864 | O=C(c1ccn2nnnc2c1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=C][C][C][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccn2nnnc2c1.N13CCN4CC1.c14ncccn1.O=C35 |
1934865 | Cc1ccnc(C(NC(=O)c2cn3ccccc3n2)C2CC2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1] | c16cn2ccccc2n1.Cc1ccnc7c1.C578.C46=O.C18CC1.N45 |
1934866 | CCc1cc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][O][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][NH1][N][=Ring2][Ring1][Branch1] | N14CCN5C(=O)C1.c18ccc(F)cc1.c16cc7[nH]n1.CC6.C47.C58 |
1934868 | Cc1cccc(CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N][=N][Ring2][Ring1][Branch2] | Cc1cccc9n1.c17ccc%10cc1.N18CCCC1=O.C45=O.C69.N46.N57.C8%10 |
1934869 | COCCn1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)cn1 | [C][O][C][C][N][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][Branch1] | N15CCN8CC1.c18cccc(O)c1.n19cc7cn1.C6C9.C45=O.CO6.N47 |
1934870 | COc1cccc(CNc2c(C#N)cnc3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c16c(C#N)cnc2ccccc12.c14cccc7c1.CO4.C57.N56 |
1934871 | CC(C)(C)OC(=O)N1CCC2(CC1)CCC(F)(F)CN2 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch2] | N14CCC2(CC1)CCC(F)(F)CN2.CC5(C)C.C34=O.O35 |
1934872 | Cc1cccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch1] | Cc1cccc6n1.N14CCN5CC1.c15nnc7s1.C7(F)(F)F.C46 |
1934873 | CC(CN(Cc1ccncc1)C1CC1)c1ccccc1 | [C][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccncc1.c15ccccc1.CC5C2.N234.C14CC1.C36 |
1934874 | CN(CCNC(=O)c1ccc2cccc(F)c2n1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc2cccc(F)c2n1.S6(C)(=O)=O.CN46.C4C5.C37=O.N35 |
1934875 | Cc1ccc(C)c(CNC(=O)C(c2cccnc2)N2CCOCC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1ccc(C)c6c1.c17cccnc1.N15CCOCC1.C3(=O)C57.C46.N34 |
1934876 | O=C(c1cn[nH]n1)N(Cc1ccccn1)C1CCCCC1 | [O][=C][Branch1][Branch2][C][C][=N][NH1][N][=Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c16ccccn1.C14CCCCC1.c15cn[nH]n1.O=C25.N234.C36 |
1934877 | Cn1cnnc1SCCNC(=O)Nc1ccc2c(c1)nnn2C | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C] | c17ccc2c(c1)nnn2C.Cn1cnnc18.C6C5.C34=O.S68.N35.N47 |
1934878 | Cc1ccc(C(CCO)NC(=O)c2cc(=O)nc3sccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][#Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | c16cc(=O)nc2sccn12.Cc1ccc7cc1.C57CCO.C46=O.N45 |
1934879 | Cc1cc(-c2c[nH]nc2C)nc(N2CCCCC2)n1 | [C][C][=C][C][Branch1][=Branch2][C][=C][NH1][N][=C][Ring1][Branch1][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc4nc3n1.c14c[nH]nc1C.N13CCCCC1 |
1934880 | O=C1COc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1COc2cc8ccc2N1.C129CC3CC(CC(C3)C1)C2.C67=O.N68.N79 |
1934881 | Cn1cc(CCNC(=O)Nc2ccc3c(c2)OCC(=O)N3)cn1 | [C][N][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=N][Ring2][Ring1][=Branch1] | c17ccc2c(c1)OCC(=O)N2.Cn1cc8cn1.C8C6.C45=O.N46.N57 |
1934882 | Cc1occc1C(=O)NCC(=O)Nc1ccc2ccccc2c1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ccccc2c1.Cc1occc17.C5C4=O.C37=O.N35.N46 |
1934883 | CC(NC(=O)c1ccoc1)C(=O)Nc1ccc2ccccc2c1 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ccccc2c1.CC5C4=O.c17ccoc1.C37=O.N35.N46 |
1934884 | CN(Cc1cccnc1)C(=O)c1cc(C(C)(C)C)nn1C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C] | c14cc5nn1C.c16cccnc1.C5(C)(C)C.CN23.C24=O.C36 |
1934885 | O=C(COc1ccc(Cl)c2cccnc12)NCCO | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][C][O] | c15ccc(Cl)c2cccnc12.O=C3C4.C6CO.O45.N36 |
1934886 | COc1cc(-c2ccccc2)sc1C(=O)NCCO | [C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][O] | c14cc7sc16.c17ccccc1.C36=O.C5CO.CO4.N35 |
1934887 | O=C(NCCO)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 | [O][=C][Branch1][Branch1][N][C][C][O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccc(Cl)cc1.O=C35.C4CO.N34 |
1934888 | Cc1cc(C(=O)NCCO)c2ccc(Br)cc2n1 | [C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=N][Ring1][P] | Cc1cc5c2ccc(Br)cc2n1.C35=O.C4CO.N34 |
1934889 | Cc1nc(-c2cccc(NC(=O)c3cnn(C)c3)c2)n[nH]1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][#C][=N][NH1][Ring2][Ring1][Ring2] | c17cccc5c1.Cc1nc7n[nH]1.c16cnn(C)c1.C46=O.N45 |
1934890 | CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S5(=O)(=O)c1ccc(Cl)c2ncccc12.C3(=O)C4.N45C.CN3 |
1934891 | CCOCc1ccccc1CNc1c(C#N)cnc2ccccc12 | [C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c16c(C#N)cnc2ccccc12.c17ccccc18.CC3.O34.C47.C58.N56 |
1934892 | COCc1ccccc1CNc1c(C#N)cnc2ccccc12 | [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c15c(C#N)cnc2ccccc12.c16ccccc17.CO3.C36.C47.N45 |
1934894 | Cc1ccc(C(=O)NCCn2c(C)nc3ccccc32)c(O)c1C | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][O][=C][Ring2][Ring1][=Branch1][C] | n17c(C)nc2ccccc21.Cc1ccc6c(O)c1C.C46=O.C5C7.N45 |
1934895 | COc1cc(F)ccc1NCc1cnn(Cc2ccccc2)c1 | [C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N] | c13cc(F)ccc15.c17cnn6c1.c18ccccc1.CO3.N45.C47.C68 |
1934896 | CC(=O)Nc1cc(NCc2c[nH]nc2-c2ccc(C)cc2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring2][C] | c15cc6ccc1C.c18ccc(C)cc1.c17c[nH]nc18.CC3=O.N35.N46.C47 |
1934899 | Cc1cc(C(=O)Oc2cccc(N3CCCC3=O)c2)nn1C(C)(C)C | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=N][N][Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C] | Cc1cc6nn17.c15cccc8c1.N18CCCC1=O.C7(C)(C)C.C46=O.O45 |
1934900 | Cc1nn(C)c(C)c1CN(C(=O)c1cn2cccc(C)c2n1)C1CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c16cn2cccc(C)c2n1.Cc1nn(C)c(C)c17.N345.C36=O.C15CC1.C47 |
1934901 | CCCCN(Cc1ccco1)C(=O)c1[nH]nc(CC)c1C | [C][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][NH1][N][=C][Branch1][Ring1][C][C][C][=Ring1][#Branch1][C] | c15[nH]nc7c1C.c16ccco1.CCCC3.N234.C25=O.C46.C7C |
1934902 | Cc1ccc(CN(Cc2ccncc2)C(=O)c2cncnc2C)s1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][S][Ring2][Ring1][#Branch1] | c16cncnc1C.Cc1ccc7s1.c18ccncc1.N345.C36=O.C47.C58 |
1934903 | CCc1cc(C(=O)N2CCC(F)(F)CC2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=C][C][=Branch1][C][=O][NH1][Ring1][P] | c15cc4cc(=O)[nH]1.N13CCC(F)(F)CC1.C34=O.CC5 |
1934904 | CN(C)C(=O)c1cncc(-c2cnc3ccccc3c2)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring1][S] | c16cnc2ccccc2c1.c15cncc6n1.CN4C.C45=O |
1934906 | Cc1nc2ccccc2n1CCNC(=O)Nc1ccc(F)cc1C#N | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N] | Cc1nc2ccccc2n17.c16ccc(F)cc1C#N.C7C5.C34=O.N35.N46 |
1934907 | N#Cc1cc(F)ccc1NC(=O)NCCc1cccc(F)c1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | N#Cc1cc(F)ccc15.c16cccc(F)c1.C23=O.C4C6.N25.N34 |
1934908 | N#Cc1cc(F)ccc1NC(=O)NCC(=O)N1CCCC1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | N#Cc1cc(F)ccc16.N14CCCC1.C5C4=O.C23=O.N26.N35 |
1934909 | N#Cc1cc(F)ccc1NC(=O)N(Cc1ccccc1)C1CC1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | N#Cc1cc(F)ccc15.c17ccccc1.C23=O.N346.C16CC1.N25.C47 |
1934910 | COC(CNC(=O)Nc1ccc(F)cc1C#N)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1C#N.c17ccccc1.C47C5.C23=O.CO4.N25.N36 |
1934911 | COc1cccc(CCNC(=O)Nc2ccc(F)cc2C#N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][=C][Ring2][Ring1][Branch1] | c17ccc(F)cc1C#N.c15cccc8c1.C8C6.C34=O.CO5.N36.N47 |
1934913 | COc1cccc(OCCNC(=O)Nc2ccc(F)cc2C#N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][=C][Ring2][Ring1][=Branch1] | c19ccc(F)cc1C#N.c16cccc7c1.C5C8.C34=O.CO6.O57.N38.N49 |
1934914 | CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=C] | c18ccc(S7(=O)=O)cc1.CC5(C)C.C34=O.C19CC1.N35.N48.N67.C69 |
1934917 | N#Cc1cc(F)ccc1NC(=O)NCc1ccc(-n2cccn2)cc1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O] | N#Cc1cc(F)ccc16.c17ccc8cc1.n18cccn1.C34=O.N36.N45.C57 |
1934918 | Cc1cc(C(=O)N2CCN(CC(O)COC(C)C)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C][C][C][Ring1][=C][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | Cc1cc7c(C)o1.N13CCN6CC1.C6C(O)C4.C37=O.C5(C)C.O45 |
1934919 | CC(NC(=O)Nc1ccc(F)cc1C#N)C1CCCO1 | [C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][C][C][C][C][O][Ring1][Branch1] | c15ccc(F)cc1C#N.C16CCCO1.CC46.C23=O.N24.N35 |
1934920 | Cc1noc(C)c1CN(C)C(=O)Nc1ccc(F)cc1C#N | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N] | c15ccc(F)cc1C#N.Cc1noc(C)c16.N24C.C23=O.C46.N35 |
1934924 | Cc1cc(C)n(C2CN(Cc3cccc4nonc34)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring1][=C][N][=Ring2][Ring1][Ring2] | c16cccc2nonc12.Cc1cc(C)n7n1.C17CN5C1.C56 |
1934925 | Cc1cc(C)n2ncc(CN3CCCC(C#N)C3)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][=C][C][N][C][C][C][C][Branch1][Ring1][C][#N][C][Ring1][Branch2][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2ncc5c2n1.N14CCCC(C#N)C1.C45 |
1934926 | C=C(C)COc1ccc(NC(=O)N(C)C2(COC)CC2)cc1 | [C][=C][Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring2][C][O][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc9cc1.C=C(C)C5.C18%10CC1.C34=O.N48C.O57.N39.C6%10.O6C |
1934927 | CC1(C)CC(C(=O)NCCOCc2ccc(Cl)cc2)CCO1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1(C)CC7CCO1.c18ccc(Cl)cc1.C37=O.C6C4.N36.O45.C58 |
1934928 | CC(=O)c1cc(C(=O)N(Cc2ccccc2)CC2CCC2)[nH]n1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring2][NH1][N][=Ring2][Ring1][Ring2] | c16cc7[nH]n1.c19ccccc1.C18CCC1.CC6=O.C37=O.N345.C49.C58 |
1934929 | Cc1nn(C)c(C)c1CN(C(=O)CCc1nncn1C)C1CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1] | Cc1nn(C)c(C)c16.c15nncn1C.C2(=O)CC5.N234.C14CC1.C36 |
1934930 | COc1ccc(-n2cccn2)c(CN(C)Cc2c(C)noc2C)c1 | [C][O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc8c6c1.c17c(C)noc1C.n18cccn1.N45C.CO3.C46.C57 |
1934931 | CCc1cc(-c2cccc(N)c2)nc(N2CCCC2)n1 | [C][C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][C] | c14cc5nc3n1.c15cccc(N)c1.N13CCCC1.CC4 |
1934932 | O=C(NCc1cc(-c2ccco2)on1)C1CCCCn2nnnc21 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][C][C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][Ring1][#Branch2] | O=C3C1CCCCn2nnnc21.c15cc6on1.c16ccco1.N34.C45 |
1934933 | COCCN(Cc1cccs1)C(=O)c1cc(O)c(OC)cn1 | [C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=N][Ring1][=Branch2] | c17cc(O)c4cn1.c18cccs1.C3C5.N256.C27=O.CO3.C68.O4C |
1934934 | Cc1cc(C(=O)N(C)CC=Cc2ccccc2)on1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][C] | C=6c1ccccc1.Cc1cc5on1.C35=O.N34C.C4C=6 |
1934936 | Cc1ccc(CN(CCc2ccncc2)C(C)C)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][O][Ring2][Ring1][C] | Cc1ccc6o1.c17ccncc1.N345.C4C7.C5(C)C.C36 |
1934937 | COC(=O)c1cc(CN(C)c2ccccc2OC)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][S][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][C][=Ring1][S][C] | c17cc8oc1C.c16ccccc14.C37=O.N56C.CO3.C58.O4C |
1934938 | COC(=O)c1cc(CN(C)c2ccc(F)cc2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][#C][C] | c16cc7oc1C.c15ccc(F)cc1.C36=O.N45C.CO3.C47 |
1934939 | COC(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C] | c16ccc(F)c(F)c1.N14CCN5CC1.C34=O.CO3.C56 |
1934940 | CCOc1cc2c(cc1CN1CCN(C(=O)OC)CC1)OC(C)C2 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][O][C][Branch1][C][C][C][Ring2][Ring1][Ring1] | c16cc2c(cc18)OC(C)C2.N17CCN4CC1.C34=O.CC5.O56.C78.O3C |
1934941 | CCC(C)c1ccc(NC(=O)CN2CCN(C(=O)OC)CC2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.N16CCN5CC1.CCC8C.C4(=O)C6.C35=O.N47.O3C |
1934942 | COC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][P] | N14CCN6CC1.c17ccccc1F.C6C5=O.C34=O.CO3.N57 |
1934943 | c1nc(NCCCCN2CCOCC2)c2c3c(sc2n1)CCC3 | [C][=N][C][Branch1][=C][N][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Branch1][=Branch2][S][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][C][C][Ring1][Branch2] | c1nc6c2c3c(sc2n1)CCC3.N15CCOCC1.C4CCC5.N46 |
1934944 | CCCOCc1ccccc1CNc1nc(C)cc(C)n1 | [C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c15nc(C)cc(C)n1.c16ccccc17.CCC2.O23.C36.C47.N45 |
1934945 | CCOc1cc(CNc2nc(C)cc(C)n2)ccc1OC(F)F | [C][C][O][C][=C][C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][C][=C][Ring1][S][O][C][Branch1][C][F][F] | c14cc8ccc15.c17nc(C)cc(C)n1.O5C(F)F.CC3.O34.C68.N67 |
1934946 | CC(NC(=O)CNC(=O)c1cccc(F)c1)C1CCCO1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1] | c16cccc(F)c1.C17CCCO1.C2(=O)C5.CC47.C36=O.N24.N35 |
1934947 | COc1ccnc(N(C)C(C)c2ccccc2F)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][C][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][P] | c13ccnc5n1.c16ccccc1F.N45C.C46C.CO3 |
1934948 | COc1ccnc(N(C)C(C)c2cc(F)ccc2F)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C] | c16cc(F)ccc1F.c13ccnc5n1.N45C.C46C.CO3 |
1934949 | CCOc1ccccc1CN(C)c1nc(C)cc(C)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c15nc(C)cc(C)n1.c13ccccc16.N45C.CC2.O23.C46 |
1934950 | O=C(COc1ccc(Cl)c2cccnc12)NCCCO | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][O] | c15ccc(Cl)c2cccnc12.O=C3C4.C6CCO.O45.N36 |
1934951 | COc1cc(-c2ccccc2)sc1C(=O)NCCCO | [C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][O] | c14cc7sc16.c17ccccc1.C5CCO.C36=O.CO4.N35 |
1934953 | CCN(CCO)C(=O)COc1ccc(Cl)c2cccnc12 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.C3(=O)C4.N367.C7CO.CC6.O45 |
1934954 | CCN(CCO)C(=O)c1sc(-c2ccccc2)cc1OC | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][O][C] | c17sc8cc14.c18ccccc1.N356.C6CO.C37=O.CC5.O4C |
1934955 | CCN(CCO)C(=O)c1cc(C)nc2cc(Br)ccc12 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][N][Ring1][#Branch1] | c16cc(C)nc2cc(Br)ccc12.N345.C5CO.C36=O.CC4 |
1934956 | COc1cc(-c2ccccc2)sc1C(=O)NCC(C)O | [C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | c14cc7sc16.c17ccccc1.C5C(C)O.C36=O.CO4.N35 |
1934957 | CC(O)CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccc(Cl)cc1.CC(O)C4.C35=O.N34 |
1934958 | COc1cc(-c2ccccc2)sc1C(=O)NC(C)CO | [C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | c14cc7sc16.c17ccccc1.C5(C)CO.C36=O.CO4.N35 |
1934959 | CC(CO)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][C][C][C][Ring1][#Branch1] | c15nn6c2c1CCCCC2.c16ccc(Cl)cc1.CC4CO.C35=O.N34 |
1934960 | Cc1cccn2c(CC(=O)N3CCC(C)(O)C(O)C3)cnc12 | [C][C][=C][C][=C][N][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccn2c5cnc12.N14CCC(C)(O)C(O)C1.C5C4=O |
1934961 | O=C(NC1(c2cc(F)ccc2F)CC1)c1ccccc1-c1ncc[nH]1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][NH1][Ring1][Branch1] | c17cc(F)ccc1F.c15ccccc16.c16ncc[nH]1.C147CC1.O=C35.N34 |
1934962 | CCOC(=O)N1CCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][C][Ring1][P] | c17cc8[nH]c(=O)c1.N14CCN5CC1.C34=O.C57=O.CC6.O36.C8C |
1934963 | O=C(Nc1ccc(-n2cncn2)c(Cl)c1)N1CC2CC=CCC2C1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][N][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2] | N14CC2CC=CCC2C1.c15ccc6c(Cl)c1.n16cncn1.O=C34.N35 |
1934964 | Cc1ccc(C(=O)NCCc2c(C)nn(C)c2C)c(O)c1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5c(O)c1C.c16c(C)nn(C)c1C.C35=O.C4C6.N34 |
1934965 | Cc1noc(CCCC(=O)Nc2ccc(-n3cccn3)cc2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=Branch1] | c15ccc7cc1.Cc1noc6n1.C6CCC4=O.n17cccn1.N45 |
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