ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933815 | Cc1ccc(C)n1-c1sccc1C(=O)NCCOC(N)=O | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][N][=O] | Cc1ccc(C)n17.c17sccc16.C36=O.C5C4.C2(N)=O.N35.O24 |
1933816 | Cc1ccc2c(n1)OCCN2C(=O)c1cc2ccccc2c(=O)[nH]1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O] | Cc1ccc2c(n1)OCCN23.c14cc2ccccc2c(=O)[nH]1.C34=O |
1933818 | CC(C)Cc1cc(C(=O)N2CCCCC2C(C)O)[nH]n1 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][O][NH1][N][=Ring1][S] | N13CCCCC15.c16cc4[nH]n1.CC(C)C6.C34=O.C5(C)O |
1933819 | CCOC(=O)c1cc(NC(=O)c2oc(CC)cc2C)[nH]n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][C][NH1][N][=Ring1][S] | c18oc9cc1C.c17cc6[nH]n1.C37=O.C48=O.CC5.O35.N46.C9C |
1933820 | CCc1nnc(-c2ccc(NC(=O)c3ccc(O)cc3F)cc2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][O][Ring2][Ring1][=Branch1] | c16ccc(O)cc1F.c18ccc5cc1.c17nnc8o1.C46=O.CC7.N45 |
1933821 | O=C(NCC1CN(C2CC2)CCO1)c1ccc(O)cc1F | [O][=C][Branch2][Ring1][C][N][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][O][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F] | c16ccc(O)cc1F.C17CN5CCO1.O=C36.C15CC1.N34.C47 |
1933822 | O=C(NC(CO)c1ccccc1)c1csc(C2CCCO2)n1 | [O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2] | c16ccccc1.c15csc7n1.C17CCCO1.C46CO.O=C35.N34 |
1933823 | Cc1[nH]c2ccccc2c1C(=O)NC(C)c1ncon1 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=C][O][N][=Ring1][Branch1] | Cc1[nH]c2ccccc2c15.c16ncon1.C35=O.C46C.N34 |
1933824 | CN(C(=O)c1cc2c([nH]c1=O)CCCC2)C1(C(N)=O)CCCC1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2] | c16cc2c([nH]c1=O)CCCC2.C145CCCC1.CN34.C36=O.C5(N)=O |
1933826 | O=C(NCc1nc[nH]n1)c1cccc(Oc2ccc(Cl)cc2)c1 | [O][=C][Branch1][#Branch2][N][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=C] | c17cccc4c1.c15ccc(Cl)cc1.c18nc[nH]n1.O=C37.N36.C68.O45 |
1933829 | CC1CCOCCN1Cc1ccc(C#N)cc1Br | [C][C][C][C][O][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Br] | c13ccc(C#N)cc1Br.CC1CCOCCN12.C23 |
1933830 | CC1CCCCN1C(=O)COc1ccc(C(C)(C)O)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2] | CC1CCCCN12.c14ccc5cc1.C2(=O)C3.C5(C)(C)O.O34 |
1933831 | O=C(NCc1ccccc1N1CCCCC1)c1ccon1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][O][N][=Ring1][Branch1] | c16ccccc14.N14CCCCC1.c15ccon1.O=C25.N23.C36 |
1933832 | CC(=O)N1CCC(CN(C)c2nc(-c3ccc(C)cc3)no2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][Ring2][Ring1][Ring2] | c18ccc(C)cc1.N14CCC7C1.c16nc8no1.CC4=O.N56C.C57 |
1933833 | O=C(Cc1cccc(O)c1)NC(CO)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14cccc(O)c1.c15ccc6cc1.O=C2C4.C35CO.C6(F)(F)F.N23 |
1933835 | O=C(NC1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cn[nH]c1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][=N][NH1][C][=Ring1][Branch1] | c16ccc(Cl)c(Cl)c1.C14CCN6C1=O.c15cn[nH]c1.O=C35.N34 |
1933836 | CN(Cc1cccnc1)C(=O)NC1CC(C)(C)OC1(C)C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][Branch1][C][C][C] | C15CC(C)(C)OC1(C)C.c16cccnc1.CN24.C23=O.C46.N35 |
1933837 | Cn1cnn(CC(=O)N(Cc2ccncc2)CC2CCCCC2)c1=O | [C][N][C][=N][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] | Cn1cnn6c1=O.c18ccncc1.C17CCCCC1.C6C3=O.N345.C48.C57 |
1933838 | Cn1cccc(NC(=O)c2ccnc(SC(C)(C)C)c2)c1=O | [C][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][#Branch2][S][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O][C][Ring2][Ring1][Ring2][=O] | Cn1cccc5c1=O.c16ccnc7c1.C4(C)(C)C.C36=O.N35.S47 |
1933840 | Cc1ncc(C(=O)Nc2c(C)cccc2O)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][=N][Ring2][Ring1][C] | Cc1ncc5c(C)n1.c14c(C)cccc1O.C35=O.N34 |
1933841 | O=C(Cc1c[nH]c2ncccc12)N1CCCc2cccc(O)c21 | [O][=C][Branch1][#C][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.c14c[nH]c2ncccc12.O=C3C4 |
1933842 | CCNc1ccc(Cl)cc1NC(=O)c1cnc(C)nc1C | [C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C] | c14ccc(Cl)cc15.c16cnc(C)nc1C.C26=O.CC3.N34.N25 |
1933843 | CC(C)(C)Sc1cc(C(=O)N2CCOC(c3ccco3)C2)ccn1 | [C][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][O][=C][C][=N][Ring2][Ring1][Ring1] | c17cc6ccn1.N14CCOC8C1.c18ccco1.CC5(C)C.C46=O.S57 |
1933844 | O=C1CCCN1c1ccc(NC(c2ccccc2)c2ccccn2)nc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2] | c17ccc4nc1.O=C1CCCN17.c16ccccc1.c15ccccn1.C356.N34 |
1933845 | O=C(CCn1cncn1)Nc1ccccc1Nc1ccc(F)cc1F | [O][=C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c13ccccc14.O=C2CC6.n16cncn1.N23.N45 |
1933846 | O=C(NCCNc1cccc(Br)c1)c1ccon1 | [O][=C][Branch1][S][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][=C][O][N][=Ring1][Branch1] | c15cccc(Br)c1.c16ccon1.O=C26.C3C4.N23.N45 |
1933847 | COC(=O)c1cccc(NCc2nc3c(s2)CCC3)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][S] | c18nc2c(s1)CCC2.c17cccc6c1.C47=O.CO4.N56.C58 |
1933849 | COC(=O)c1cc(NCc2ccc(CO)o2)ccc1C | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][C][=C][Ring1][#C][C] | c16cc5ccc1C.c17ccc8o1.C36=O.CO3.N45.C47.C8O |
1933850 | CC(C)Oc1cccc(CN(C)C(=O)C(N)c2ccccc2)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c15cccc7c1.c18ccccc1.C3(=O)C8N.CC4C.N36C.O45.C67 |
1933851 | CCC(NC(=O)N1CCCCC1c1cn[nH]c1)c1nccs1 | [C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][C][=C][S][Ring1][Branch1] | N13CCCCC16.c16cn[nH]c1.c15nccs1.CCC45.C23=O.N24 |
1933852 | CN(CC1CCCCC1O)C(=O)NCc1ccnc2ccccc12 | [C][N][Branch1][O][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18ccnc2ccccc12.C17CCCCC1O.CN35.C34=O.C57.N46.C68 |
1933853 | O=C(NC1CCc2ccccc21)N1CCCCC1c1cn[nH]c1 | [O][=C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | N3C1CCc2ccccc21.N14CCCCC15.c15cn[nH]c1.O=C34 |
1933854 | Cn1cc(CN2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 | [C][N][C][=C][Branch1][#C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] | N14CCc2ccccc21.c16ccc(C#N)cc1.Cn1cc5c6n1.C45 |
1933855 | CN(C)C(=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | N15CCN6CC1.c16ccnc7n1.c18ccccc1.CN4C.C45=O.C78 |
1933856 | Cn1ccnc(NC(=O)N2CCC(c3ccccc3)C2)c1=O | [C][N][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][Ring2][=O] | Cn1ccnc6c1=O.N15CCC7C1.c17ccccc1.C45=O.N46 |
1933858 | Cc1ocnc1C(=O)Nc1ccc(Oc2nncc3ccccc23)cc1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P] | c15nncc2ccccc12.c17ccc6cc1.Cc1ocnc18.C48=O.N47.O56 |
1933859 | CCn1ccc2cc(NC(=O)c3cnc4c(c3)ncn4C)ccc21 | [C][C][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n18ccc2cc6ccc21.c17cnc2c(c1)ncn2C.C57=O.CC8.N56 |
1933860 | Cc1cc[nH]c(=O)c1C(=O)N1CCC(C2CCOCC2)CC1 | [C][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N] | N13CCC(C2CCOCC2)CC1.Cc1cc[nH]c(=O)c14.C34=O |
1933861 | CC(CCn1cccn1)OC(=O)c1ccsc1 | [C][C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1] | CC3CC5.n15cccn1.c14ccsc1.C24=O.O23 |
1933863 | CC(C)(C)n1ncn(CCOc2cccc(C#N)c2)c1=O | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][N][Branch1][S][C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring1][S][=O] | c14cccc(C#N)c1.n15ncn6c1=O.CC5(C)C.C6C3.O34 |
1933864 | Cn1ccnc1SCCOC(=O)Nc1ccccc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1ccnc17.c16ccccc1.C5C4.C23=O.S57.O24.N36 |
1933865 | Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N1CC(C)OC(C)C1 | [C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | Cc1nn3c(=O)n14.N12CC(C)OC(C)C1.C3(C)(C)C.C4C2=O |
1933866 | N#Cc1ncn(Cc2csc(-c3ccoc3)n2)c1C#N | [N][#C][C][N][=C][N][Branch2][Ring1][C][C][C][=C][S][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][=Ring1][S][C][#N] | N#Cc1ncn4c1C#N.c15csc6n1.c16ccoc1.C45 |
1933867 | CN(C(=O)c1cccc(NCc2ccc(CO)o2)c1)c1ccccc1 | [C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cccc6c1.c18ccc9o1.c15ccccc1.CN35.C37=O.N46.C48.C9O |
1933868 | c1ccc(Oc2cccc(NCc3cc[nH]n3)c2)nc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][=N][N][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c1ccc4nc1.c18cc[nH]n1.O45.N67.C68 |
1933869 | CCn1nccc1CNc1cc(C#N)ccc1OC(C)C | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][C] | c15cc(C#N)ccc13.n16nccc17.C2(C)C.CC6.C47.N45.O23 |
1933870 | Cc1cc(NCc2ccc(CO)o2)ccc1C(=O)NC(C)C | [C][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | Cc1cc6ccc17.c18ccc9o1.C37=O.C5(C)C.N46.C48.C9O.N35 |
1933872 | CCCn1cc(CN2CCC(S(=O)(=O)NCC)C2)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][C][C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][O][C][=N][Ring1][P] | N13CCC(S5(=O)=O)C1.n16cc7cn1.CCC6.C37.N45.C4C |
1933873 | COCCN1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1=O | [C][O][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][C][Ring2][Ring1][C][=O] | N16CCN5CC1=O.c17cc8[nH]n1.c18ccccc1.C4C6.CO4.C57 |
1933874 | CCn1nccc1CNc1ccc(C)c(S(C)(=O)=O)c1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O] | c13ccc(C)c(S(C)(=O)=O)c1.n14nccc15.CC4.C25.N23 |
1933875 | O=C1NCCN1Cc1ccccc1NCc1csnn1 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][S][N][=N][Ring1][Branch1] | c16ccccc13.O=C1NCCN14.c15csnn1.C46.N23.C25 |
1933876 | CCNS(=O)(=O)C1CCN(Cc2csnn2)C1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][O] | S5(=O)(=O)C1CCN4C1.c16csnn1.CC3.N35.C46 |
1933877 | CCNS(=O)(=O)C1CCN(Cc2cn(C)nc2CC)C1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C] | S5(=O)(=O)C1CCN4C1.c17cn(C)nc16.CC3.N35.C47.C6C |
1933880 | COCCN1CCN(Cc2cnc3cc(C)ccn23)CC1=O | [C][O][C][C][N][C][C][N][Branch2][Ring1][C][C][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][P][=O] | c17cnc2cc(C)ccn12.N16CCN5CC1=O.C4C6.CO4.C57 |
1933881 | CCNS(=O)(=O)C1CCN(Cc2c(CC)nn(C)c2CC)C1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][C][C][Branch1][Ring1][C][C][=N][N][Branch1][C][C][C][=Ring1][Branch2][C][C][C][Ring1][S] | S5(=O)(=O)C1CCN4C1.c18c6nn(C)c17.CC3.N35.C48.C6C.C7C |
1933882 | CCNS(=O)(=O)C1CCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][P] | S5(=O)(=O)C1CCN4C1.c16c[nH]nc17.c17ccc(C)o1.CC3.N35.C46 |
1933884 | CCCCCN1CC(=O)NC1c1nc(C)cs1 | [C][C][C][C][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | N12CC(=O)NC13.c13nc(C)cs1.CCCCC2 |
1933885 | CCC(NC(=O)NCC1(OC)CCC1)c1nccs1 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | C148CCC1.c17nccs1.CCC57.C23=O.N25.N36.C68.O4C |
1933886 | Cc1cnc(COC(=O)c2ccccc2-c2nnc(C)o2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | Cc1cnc6cn1.c15ccccc17.c17nnc(C)o1.C35=O.C46.O34 |
1933888 | Cn1cc(CCNC(=O)c2cccc(Br)c2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Cl][C][=N][Ring2][Ring1][C] | c15cccc(Br)c1Cl.Cn1cc6cn1.C6C4.C35=O.N34 |
1933889 | Cc1ocnc1CNC(=O)c1cccc(Br)c1Cl | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Cl] | c14cccc(Br)c1Cl.Cc1ocnc15.C24=O.C35.N23 |
1933890 | O=C(NCC1CC(=O)N(C2CC2)C1)NC1CCc2ccccc21 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N4C1CCc2ccccc21.C16CC(=O)N7C1.O=C34.C17CC1.N35.C56 |
1933891 | O=C(N=c1[nH]nc2n1CCCC2)C1OCCc2ccccc21 | [O][=C][Branch1][#C][N][=C][NH1][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C(N=c1[nH]nc2n1CCCC2)C1OCCc2ccccc21 |
1933892 | Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1=O | [C][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring1][=O] | Cn1nc5ccc1=O.c14cc6ccn1.C6(F)(F)F.C35=O.N34 |
1933893 | CCN1CCN(Cc2cncnc2)c2ccccc21 | [C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | N13CCN4c2ccccc21.c15cncnc1.CC3.C45 |
1933894 | COC1(CNC(=O)C(O)c2ccc(Br)cc2)CCC1 | [C][O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][Ring1][P] | c17ccc(Br)cc1.C146CCC1.C3(=O)C7O.CO4.C56.N35 |
1933895 | Cc1occc1CN(C)C(=O)c1ccc(O)cc1O | [C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.Cc1occc15.N23C.C24=O.C35 |
1933897 | Cc1ocnc1CNC(=O)c1ccc(F)c(Cl)c1F | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F] | c14ccc(F)c(Cl)c1F.Cc1ocnc15.C24=O.C35.N23 |
1933898 | CN(CC(C)(CO)CO)C(=O)c1ccc2ccc(Cl)cc2n1 | [C][N][Branch1][N][C][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2ccc(Cl)cc2n1.C4C(C)(CO)CO.CN34.C35=O |
1933899 | CC(C)(NC(=O)Cc1cccc(O)c1)c1nccs1 | [C][C][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][C][=C][S][Ring1][Branch1] | c15cccc(O)c1.c14nccs1.CC34C.C2(=O)C5.N23 |
1933900 | Cc1nc(C(C)(C)NC(=O)Cc2cccc(O)c2)sc1C | [C][C][N][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][S][C][=Ring2][Ring1][Ring1][C] | Cc1nc5sc1C.c16cccc(O)c1.C45(C)C.C3(=O)C6.N34 |
1933901 | CCc1nn(C)cc1CN1CCN(C(C)=O)CC1(C)C | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C] | N13CCN2CC1(C)C.c14nn(C)cc15.C2(C)=O.CC4.C35 |
1933902 | CC(=O)N1CCN(Cc2cc(F)cc(F)c2)C(C)(C)C1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring1][P] | N13CCN4C(C)(C)C1.c15cc(F)cc(F)c1.CC3=O.C45 |
1933903 | O=C(CC(O)c1ccc(OCc2ccccc2)cc1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][C][C][C][Ring1][Branch1] | c16ccc5cc1.O=C3CC6O.c17ccccc1.N13CCCC1.O45.C47 |
1933904 | CCC(C)(C)NC(=O)c1ccc(NCc2ccnn2C)cc1Cl | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][Cl] | c17ccc6cc1Cl.c18ccnn1C.CCC4(C)C.C37=O.N34.N56.C58 |
1933905 | CC(C)N(C)S(=O)(=O)c1ccc(NCc2ccnn2C)cc1 | [C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.c17ccnn1C.CC3C.N35C.N46.C47 |
1933906 | Cn1nccc1CNc1cc(NC(=O)OC(C)(C)C)ccc1F | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][F] | c16cc7ccc1F.Cn1nccc18.C4(C)(C)C.C23=O.C58.N56.N37.O24 |
1933907 | Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NCc1ccnn1C | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][Ring1][=C][N][C][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1ccc(S4(=O)=O)cc15.c16ccnn1C.N24C.C2(C)C.N35.C36 |
1933908 | Cn1c(CNc2cc(F)c(F)cc2F)nnc1-c1ccccc1 | [C][N][C][Branch2][Ring1][C][C][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc(F)c(F)cc1F.Cn1c5nnc16.c16ccccc1.C35.N34 |
1933909 | CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2(C)CCC2)cc1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S] | CC(C)S(=O)(=O)c1ccc6cc1.C15(C)CCC1.C6C3=O.N34.C45 |
1933910 | CN(C)c1nc(CS(=O)(=O)c2ccccn2)ns1 | [C][N][Branch1][C][C][C][=N][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][S][Ring1][#C] | C4S(=O)(=O)c1ccccn1.c13nc4ns1.CN3C |
1933911 | Cc1nnc(SCCn2cccn2)c(C#N)c1C | [C][C][=N][N][=C][Branch1][O][S][C][C][N][C][=C][C][=N][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][S][C] | Cc1nnc5c(C#N)c1C.n14cccn1.C3C4.S35 |
1933912 | COCc1ccc(SCN2CCCCC2=O)cc1 | [C][O][C][C][=C][C][=C][Branch1][N][S][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][#C] | c15ccc6cc1.N14CCCCC1=O.S6C4.CO3.C35 |
1933913 | CCC(=O)N1CCN(Cc2cc(C(=O)OC)ccc2Cl)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring1][C] | c17cc6ccc1Cl.N14CCN5CC1.CCC4=O.C36=O.C57.O3C |
1933914 | CCc1nn(C)cc1C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=N] | c16nn(C)cc15.c18cccc(F)c1.c14n[nH]c7n1.C35=O.CC6.N34.C78 |
1933915 | CCOC(=O)c1cc(NC(=O)c2cc(C)c(CC)o2)[nH]n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][C][O][Ring1][Branch2][NH1][N][=Ring1][S] | c18cc(C)c9o1.c17cc6[nH]n1.C37=O.C48=O.CC5.O35.N46.C9C |
1933916 | CCc1cnccc1C(=O)OCc1cccc(C)n1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c16cnccc14.c15cccc(C)n1.C24=O.CC6.O23.C35 |
1933917 | COc1ccc(C(=O)N2CCCC2c2ccco2)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][N][C][=N][N][=N][Ring1][Branch1] | c14ccc5cc16.N13CCCC17.c17ccco1.n16cnnn1.C35=O.CO4 |
1933918 | Fc1cc(Cl)c(NCc2nnc(C3CCC3)o2)c(Cl)c1 | [F][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][C][N][C][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | Fc1cc(Cl)c5c(Cl)c1.c16nnc7o1.C17CCC1.N45.C46 |
1933919 | CCC1CCCCC1N(C)C(=O)c1ccc(OC)c(-n2cnnn2)c1 | [C][C][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][=N] | c16ccc4c8c1.C17CCCCC15.n18cnnn1.N35C.C36=O.CC7.O4C |
1933922 | CCC(C)(CO)NC(=O)c1ccnc(OC2CCC2)c1 | [C][C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O] | c17ccnc4c1.CCC6(C)CO.C15CCC1.C37=O.N36.O45 |
1933923 | Cc1ccc(-c2ccc(C(=O)NCC3(CO)CC3)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][S][Ring1][=C][O][Ring2][Ring1][Ring1] | Cc1ccc9o1.c19ccc6s1.C178CC1.C46=O.N45.C57.C8O |
1933924 | COc1ccc(CNc2ncnc(N)c2Cl)cn1 | [C][O][C][=C][C][=C][Branch1][#C][C][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Cl][C][=N][Ring1][S] | c15ncnc(N)c1Cl.c13ccc6cn1.CO3.C46.N45 |
1933925 | Nc1ncnc(N2CCCC(C(=O)N3CCOCC3)C2)c1Cl | [N][C][=N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][Ring2][Cl] | Nc1ncnc5c1Cl.N15CCCC6C1.N14CCOCC1.C46=O |
1933926 | Nc1ncnc(NCc2ccc(Oc3ccc(F)cc3)nc2)c1Cl | [N][C][=N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][=C][Ring2][Ring1][=Branch1][Cl] | Nc1ncnc7c1Cl.c18ccc4nc1.c15ccc(F)cc1.N67.C68.O45 |
1933927 | COC(C)CCC(=O)Nc1nc(-c2ccsc2)ns1 | [C][O][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][S][Ring1][#Branch2] | C4(C)CCC3=O.c15nc6ns1.c16ccsc1.CO4.N35 |
1933928 | CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2ccc(C)nc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15ccc(S(C)(=O)=O)c4c1.c16ccc(C)nc1.CC5=O.C3C6.N34 |
1933929 | COc1c(CNC(=O)Cc2cccc(O)c2)c(C)nn1C | [C][O][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring2][Ring1][C][C] | c14c6c(C)nn1C.c17cccc(O)c1.C3(=O)C7.CO4.C56.N35 |
1933930 | Cc1ncn(CC(O)COc2cccc(C(F)(F)F)c2)c(=O)c1C | [C][C][N][=C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C] | Cc1ncn5c(=O)c1C.c14cccc6c1.C5C(O)C3.C6(F)(F)F.O34 |
1933932 | CCc1ccc(OCC(O)Cn2cnc(C)c(C)c2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n15cnc(C)c(C)c1=O.c16ccc4cc1.C3C(O)C5.CC6.O34 |
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