ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925801 | Cc1n[nH]c(C)c1NC(=O)COc1cccc(C(F)(F)F)n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2] | Cc1n[nH]c(C)c15.c14cccc6n1.C2(=O)C3.C6(F)(F)F.N25.O34 |
1925802 | Cc1cc(C)n2cc(COc3cccc(C(F)(F)F)n3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2cc6nc2n1.c15cccc7n1.C7(F)(F)F.C46.O45 |
1925803 | CC(C)n1ncc2c(=O)n(Cc3ncc(Cl)cc3Cl)cnc21 | [C][C][Branch1][C][C][N][N][=C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][C][=Ring1][S][Ring2][Ring1][Ring1] | n14ncc2c(=O)n5cnc21.c16ncc(Cl)cc1Cl.CC4C.C56 |
1925805 | Fc1ccc(-c2noc(COCc3ncc[nH]3)n2)cc1F | [F][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][O][C][Branch1][O][C][O][C][C][=N][C][=C][NH1][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][F] | Fc1ccc8cc1F.c18noc6n1.c17ncc[nH]1.C46.O45.C57 |
1925806 | Cc1nnc(CSc2nc(C)c(C)c(=O)[nH]2)o1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][Ring1][=Branch2][O][Ring1][S] | c15nc(C)c(C)c(=O)[nH]1.Cc1nnc4o1.C34.S35 |
1925808 | CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)n1)c1ccncc1 | [C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cc(C)n7n1.c17ccc(F)cc1.c15ccncc1.N345.C36=O.CC4 |
1925809 | Cc1cnc(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)s1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][S][Ring2][Ring1][Branch1] | c18cc(F)c(F)c(F)c1.Cc1cnc7s1.C34=O.N46C.C57.N35.C68 |
1925810 | Cc1nn(C)c(C)c1CC(=O)N(c1cccc(F)c1)C1CCOCC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][O][C][C][Ring1][=Branch1] | Cc1nn(C)c(C)c15.c13cccc(F)c1.C14CCOCC1.C5C2=O.N234 |
1925811 | Cc1ncc(CNCC2COC3(CCC(C)CC3)O2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][O][C][Branch1][O][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][O][Ring1][O][S][Ring2][Ring1][Ring1] | C16COC2(CCC(C)CC2)O1.Cc1ncc7s1.C47.N45.C56 |
1925812 | Cc1nn(C)c(=O)c(C(=O)Nc2ccc([S+](C)[O-])c(F)c2)c1C | [C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][Branch1][C][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C] | Cc1nn(C)c(=O)c5c1C.c14ccc([S+](C)[O-])c(F)c1.C35=O.N34 |
1925813 | Cc1ncc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | Cc1ncc6c(C)n1.c18ccc(Cl)cc1.c17cn8nn1.C46=O.O45.C57 |
1925814 | CC1CCC2(CC1)OCC(CNC(=O)C1CC1C)O2 | [C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][O][Ring1][#C] | CC1CCC2(CC1)OCC6O2.C15CC1C.C35=O.C46.N34 |
1925815 | Cc1occc1C(=O)NCC1COC2(CCC(C)CC2)O1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][O][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][O][Ring1][O] | C16COC2(CCC(C)CC2)O1.Cc1occc15.C35=O.N34.C46 |
1925816 | CCC(=O)N(C)c1ccccc1C(=O)Nc1c(CC)noc1C | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][C][=N][O][C][=Ring1][#Branch1][C] | c14ccccc16.c15c7noc1C.CCC2=O.N24C.C36=O.N35.C7C |
1925817 | Cc1cc(C(=O)NC2CCOC2C)nn1-c1cccc(Cl)c1 | [C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][C][=N][N][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1cc5nn16.c16cccc(Cl)c1.C14CCOC1C.C35=O.N34 |
1925818 | CCC(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S] | c16ccc7cc1.N15CCN4CC1.CCC3=O.C4(C)=O.N36.C57 |
1925819 | CC1CCC2(CC1)OCC(CNC(=O)Cc1ccon1)O2 | [C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1][O][Ring1][P] | CC1CCC2(CC1)OCC5O2.c16ccon1.C3(=O)C6.C45.N34 |
1925820 | CCC(C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1 | [C][C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=C][C][=N][Ring1][P] | N14CCc2[nH]ncc2C1.c16cc7ccn1.CCC5C.C47=O.O56 |
1925821 | CC(C)Cc1cc(C(=O)N2CCC(n3cccn3)CC2)cc(=O)[nH]1 | [C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][O][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] | c16cc5cc(=O)[nH]1.N14CCC7CC1.n17cccn1.CC(C)C6.C45=O |
1925822 | CCC(C)Oc1cc(C(=O)NCc2ncc[nH]2)ccn1 | [C][C][C][Branch1][C][C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][C][=C][NH1][Ring1][Branch1][=C][C][=N][Ring1][#C] | c15cc7ccn1.c18ncc[nH]1.CCC4C.C37=O.O45.N36.C68 |
1925823 | COCC1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CC1 | [C][O][C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][=N][C][C][Ring2][Ring1][Branch1] | C17CCN4CC1.c16cc(C)n8n1.c18cccc(Cl)c1.C46=O.CO5.C57 |
1925824 | COCC1CCN(C(=O)c2cc(CC(C)C)[nH]c(=O)c2)CC1 | [C][O][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][O][C][C][Ring2][Ring1][Ring1] | c15cc6[nH]c(=O)c1.C17CCN3CC1.C6C(C)C.C35=O.CO4.C47 |
1925825 | CCN(CC)c1ccc(C(=O)N2CC(=O)Nc3cnccc32)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | N14CC(=O)Nc2cnccc21.c17ccc8cc1.N567.C48=O.CC5.C6C |
1925826 | Cc1cc(C(=O)NC(C)c2ccc(-c3cncnc3)cc2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] | Cc1cc6cc(=O)[nH]1.c17ccc8cc1.c18cncnc1.C46=O.C57C.N45 |
1925827 | Cc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] | Cc1cc6cc(=O)[nH]1.N13CCC5CC1.C4(C)(C)C.C36=O.O45 |
1925828 | CN(C)C(=O)NCCNC(=O)c1ccc2ncccc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c18ccc2ncccc2c1.CN3C.C34=O.C6C7.C58=O.N46.N57 |
1925829 | O=C(Nc1ccc2nncn2c1)C1CCC(F)(F)CC1 | [O][=C][Branch1][#C][N][C][C][=C][C][=N][N][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | c14ccc2nncn2c1.C15CCC(F)(F)CC1.O=C35.N34 |
1925830 | CCS(=O)(=O)c1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | CCS(=O)(=O)c1ccc7cc1.c16[nH]nc2c1CCCC2.C46=O.C57.N45 |
1925831 | CCS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]2)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][#C] | CCS(=O)(=O)c1ccc6cc1.c15ccc[nH]1.C35=O.C46.N34 |
1925832 | Cc1cc(C(=O)N2CCCC(C)(CO)C2)nn1-c1cccc(Cl)c1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][=N][N][Ring1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | N13CCCC5(C)C1.Cc1cc4nn16.c16cccc(Cl)c1.C34=O.C5O |
1925833 | Cc1cc(CC(=O)NCC2COC3(CCC(C)CC3)O2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][O][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][O][Ring1][O][=N][NH1][Ring2][Ring1][Branch1] | C16COC2(CCC(C)CC2)O1.Cc1cc7n[nH]1.C7C4=O.N45.C56 |
1925834 | CCC1(C(=O)NCc2ccc(C(C)=O)c(C)n2)CCCC1 | [C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=N][Ring1][#Branch2][C][C][C][C][Ring2][Ring1][Ring1] | c17ccc6c(C)n1.C158CCCC1.C35=O.C6(C)=O.CC8.N34.C47 |
1925835 | Cc1cscc1C(=O)Nc1ccc(C(=O)N2CCC(O)CC2)cc1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc7cc1.N14CCC(O)CC1.Cc1cscc16.C36=O.C47=O.N35 |
1925836 | CCc1ccsc1C(=O)Nc1cnccc1CO | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][O] | c13cnccc16.c15ccsc14.C24=O.CC5.N23.C6O |
1925838 | CCCCc1nnc(NCc2c(C)nn(C)c2C)s1 | [C][C][C][C][C][=N][N][=C][Branch1][P][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][S][Ring1][#C] | c16c(C)nn(C)c1C.c15nnc4s1.CCCC5.N34.C36 |
1925839 | CCCn1cc(CNc2nnc(C(C)(C)C)s2)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][C][=N][Ring1][S] | n15cc7cn1.c14nnc6s1.C6(C)(C)C.CCC5.C37.N34 |
1925840 | COCc1ccc(CNc2nnc(C(C)(C)C)s2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][O][Ring1][S] | c16ccc7o1.c15nnc8s1.C8(C)(C)C.CO3.C36.C47.N45 |
1925841 | O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][NH1][Ring1][Branch1] | c15ccc2nc7oc2c1.c17ccccn1.c16ccc[nH]1.O=C46.N45 |
1925842 | Cc1cc(NCc2cscn2)ncc1Br | [C][C][=C][C][Branch1][#Branch2][N][C][C][=C][S][C][=N][Ring1][Branch1][=N][C][=C][Ring1][=N][Br] | Cc1cc4ncc1Br.c15cscn1.N34.C35 |
1925843 | COc1ncc(NCc2cccc(-c3cccnc3)c2)cc1C(N)=O | [C][O][C][=N][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][N][=O] | c14ncc6cc17.c18cccc9c1.c19cccnc1.C7(N)=O.CO4.N56.C58 |
1925844 | COc1ncc(NCc2ccncc2)cc1C(N)=O | [C][O][C][=N][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][N][=O] | c13ncc5cc16.c17ccncc1.C6(N)=O.CO3.N45.C47 |
1925845 | Cc1cc(C)cc(CCC(=O)NCc2nccc(N)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc6cc(C)c1.c15nccc(N)n1.C6CC3=O.N34.C45 |
1925846 | O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC2OCCO2)CC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][C][O][C][C][O][Ring1][Branch1][C][C][Ring1][N] | c15ccc7cc1.N13CCN4CC1.C16OCCO1.C7(F)(F)F.O=C35.C46 |
1925847 | Cc1n[nH]c2ncc(NC(=O)NC3(C)CCOCC3)cc12 | [C][C][=N][NH1][C][=N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][P] | Cc1n[nH]c2ncc7cc12.C16(C)CCOCC1.C45=O.N47.N56 |
1925848 | CC(=O)N1CCN(Cc2ccc(NC(=O)NCC(C)C)cc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][C][Ring2][Ring1][Branch1] | N13CCN6CC1.c19ccc8cc1.C7C(C)C.CC3=O.C45=O.C69.N48.N57 |
1925849 | CCc1nnc(Cn2c(C)nn(C(C)(C)C)c2=O)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][N][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=O][O][Ring1][P] | n13c(C)nn4c1=O.c15nnc6o1.C4(C)(C)C.CC5.C36 |
1925850 | CC1(C)CCC(CSc2nnc(N)n2C2CC2)CC1 | [C][C][Branch1][C][C][C][C][C][Branch2][Ring1][C][C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C] | CC1(C)CCC4CC1.c16nnc(N)n15.C15CC1.C34.S36 |
1925851 | CN(Cc1ncon1)C(=O)c1ccn(-c2ccccc2)n1 | [C][N][Branch1][=Branch2][C][C][N][=C][O][N][=Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c15ccn7n1.c17ccccc1.c16ncon1.CN34.C35=O.C46 |
1925852 | O=C(NCCNC(=O)C1(N2CCOCC2)CCC1)c1ccccc1O | [O][=C][Branch2][Ring1][=Branch2][N][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c19ccccc1O.N17CCOCC1.C178CCC1.O=C39.C5C6.C48=O.N35.N46 |
1925853 | O=C(NCc1cc(=O)[nH]c2ccccc12)c1c[nH]c2cc(F)ccc12 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c16cc(=O)[nH]c2ccccc12.c15c[nH]c2cc(F)ccc12.O=C35.N34.C46 |
1925854 | CNC(=O)C1CCCN(C(=O)C2CCC=CO2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][=C][O][Ring1][=Branch1][C][Ring1][=C] | C16CCCN4C1.C15CCC=CO1.C36=O.C45=O.CN3 |
1925855 | COc1cc2ccncc2cc1OCC(O)c1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cc2ccncc2cc15.c16ccc(F)cc1.C3C6O.CO4.O35 |
1925857 | Cn1c(COc2nnc(-c3ccccc3)o2)nc2ccccc2c1=O | [C][N][C][Branch2][Ring1][Ring2][C][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] | Cn1c6nc2ccccc2c1=O.c15nnc7o1.c17ccccc1.C46.O45 |
1925858 | Cc1cccc(-c2nnc(COc3nnc(-c4ccccc4)o3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Ring2][C][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | Cc1cccc8c1.c18nnc7o1.c16nnc9o1.c19ccccc1.C57.O56 |
1925859 | COc1ccc(-c2noc(=O)n2Cc2ccc(Cl)cn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c13ccc7cc14.c17noc(=O)n15.c16ccc(Cl)cn1.CO3.C56.O4C |
1925860 | CN(C1CCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 | [C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][N] | S4(=O)(=O)c1ccc3nc1.C2C(F)(F)F.C15CCC1.CN45.O23 |
1925861 | Cc1ccc(=O)n(CCc2ccc(F)c(F)c2)n1 | [C][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=Ring1][P] | Cc1ccc(=O)n3n1.c14ccc(F)c(F)c1.C3C4 |
1925862 | OCc1ccc(OCCc2ccc(F)c(F)c2)cn1 | [O][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][Ring1][P] | c16ccc(F)c(F)c1.c15ccc4cn1.C3C6.OC5.O34 |
1925863 | CC(C)n1cnc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][=C][Ring2][Ring1][Ring1] | n15cnc(S4(=O)=O)c1.N14CCC6CC1.n16ccnn1.CC5C |
1925864 | COCc1cc(NC(=O)c2c(Cl)cccc2Cl)ncn1 | [C][O][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][=N][Ring1][P] | c16c(Cl)cccc1Cl.c17cc5ncn1.C36=O.CO4.C47.N35 |
1925865 | Cc1nc(NC(=O)NCC(=O)NCC2CC2)sc1-c1ccccc1 | [C][C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][S][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc8sc1%10.c1%10ccccc1.C6C5=O.C34=O.C19CC1.N38.N46.N57.C79 |
1925866 | Cc1c(NCc2ccnn2C)cnn1-c1ccccc1F | [C][C][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1c4cnn16.c16ccccc1F.c15ccnn1C.N34.C35 |
1925868 | CCC(CO)NC(=O)c1cc(F)cc2cccnc12 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(F)cc2cccnc12.CCC4CO.C35=O.N34 |
1925870 | O=C(Nc1cccc2[nH]cnc12)c1cc(OCC(F)F)ccn1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][C][=N][Ring1][O] | c16cccc2[nH]cnc12.c17cc5ccn1.C4C(F)F.O=C37.N36.O45 |
1925871 | CC(C)(CO)NC(=O)c1cc(F)cc2cccnc12 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(F)cc2cccnc12.CC4(C)CO.C35=O.N34 |
1925873 | O=C(NC(CO)c1ccccc1)C(O)c1ccccc1 | [O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.O=C2C5O.C34CO.N23 |
1925874 | CC(C)C(CO)NC(=O)c1[nH]nc2c1CCCC2 | [C][C][Branch1][C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15[nH]nc2c1CCCC2.CC(C)C4CO.C35=O.N34 |
1925875 | CCC(C)(CCO)NC(=O)c1[nH]nc2c1CCCC2 | [C][C][C][Branch1][C][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15[nH]nc2c1CCCC2.CCC4(C)CCO.C35=O.N34 |
1925876 | COCC(C)(CCO)NC(=O)c1ccc2nc(C)ccc2c1 | [C][O][C][C][Branch1][C][C][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c16ccc2nc(C)ccc2c1.C4C5(C)CCO.C36=O.CO4.N35 |
1925877 | O=C(CCc1ccncc1)NC1CCN(c2ccc(F)c(Cl)c2)C1 | [O][=C][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N] | c14ccc(F)c(Cl)c1.c16ccncc1.C15CCN4C1.O=C3CC6.N35 |
1925878 | CC(C)Cn1ncnc1CSc1nc2ncccn2n1 | [C][C][Branch1][C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][S][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c16nc2ncccn2n1.n14ncnc15.CC(C)C4.C35.S36 |
1925879 | CCn1cc(C#N)c(=O)n(CCCc2cccc(F)c2)c1=O | [C][C][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | n13cc(C#N)c(=O)n4c1=O.c15cccc(F)c1.C4CC5.CC3 |
1925880 | COCCc1nsc(N2CCCC(c3nccs3)C2)n1 | [C][O][C][C][C][=N][S][C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][=N][Ring1][S] | N15CCCC7C1.c16nsc5n1.c17nccs1.C4C6.CO4 |
1925881 | Cc1ccn(-c2ccc(N3CCCC(c4nccs4)C3)nn2)n1 | [C][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][N][=N][Ring1][P][N][=Ring2][Ring1][=Branch1] | c16ccc5nn1.N15CCCC7C1.Cc1ccn6n1.c17nccs1 |
1925882 | Cc1ccc(-c2noc(N3CCC(CS(N)(=O)=O)CC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][O][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N14CCC5CC1.c16noc4n1.C5S(N)(=O)=O |
1925884 | Cc1cnc(N2CCC(c3nncn3C(C)C)CC2)nc1C | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][C] | Cc1cnc4nc1C.N14CCC6CC1.c16nncn15.C5(C)C |
1925885 | CCn1c(C)nnc1Cn1cnc2cc(C)c(C)cc21 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O] | n14cnc2cc(C)c(C)cc21.n13c5nnc1C.CC3.C45 |
1925886 | O=C(Cn1cc(CCO)c(C(F)(F)F)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][Ring2][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | n13cc5c4n1.N12CCOCC1.O=C2C3.C4(F)(F)F.C5CO |
1925887 | O=C(NCc1ccccc1-n1ccnc1)NC(CO)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc18.c17ccccc1.n18ccnc1.C57CO.O=C23.N24.C46.N35 |
1925888 | COC(=O)C1CCCC1C(=O)Nc1cccc(-c2nccs2)c1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][O] | c15cccc8c1.C16CCCC17.c18nccs1.C36=O.C47=O.CO3.N45 |
1925890 | O=C(Nc1cccc2ccccc12)N1CCCC(Cn2cncn2)C1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N] | c15cccc2ccccc12.N14CCCC7C1.n16cncn1.O=C34.N35.C67 |
1925891 | Cc1cc(C)n(CC2CCN(C(=O)NCC(F)(F)F)CC2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n6n1.C17CCN3CC1.C5C(F)(F)F.C34=O.C67.N45 |
1925892 | CC(C)(C)Sc1cc(C(=O)NCc2ncc[nH]2)ccn1 | [C][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][C][=C][NH1][Ring1][Branch1][=C][C][=N][Ring1][#C] | c18cc6ccn1.c17ncc[nH]1.CC5(C)C.C36=O.S58.N34.C47 |
1925893 | Cc1cc(Br)ccc1CC(=O)NC1CCN(C(N)=O)C1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2] | Cc1cc(Br)ccc15.C14CCN3C1.C5C2=O.C3(N)=O.N24 |
1925894 | CN(Cc1cccnc1)C(=O)NCc1ccnc(SC(C)(C)C)c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][#Branch2][S][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O] | c18ccnc9c1.c17cccnc1.C6(C)(C)C.CN24.C23=O.C47.N35.C58.S69 |
1925896 | CCOc1cc(Cl)ccc1C(=O)N1CCC(Cc2cnn(C)c2)C1 | [C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][N] | c15cc(Cl)ccc16.N13CCC7C1.c18cnn(C)c1.C36=O.CC4.O45.C78 |
1925897 | O=C(c1cccc(-c2ncn[nH]2)c1)N1CCCc2cccc(O)c21 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.c14cccc5c1.c15ncn[nH]1.O=C34 |
1925898 | O=C(c1ccn2ccnc2c1)N1CCCc2cccc(O)c21 | [O][=C][Branch1][=C][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O] | N13CCCc2cccc(O)c21.c14ccn2ccnc2c1.O=C34 |
1925899 | COc1nc(NC(=O)CCc2cnn(C)c2C)n[nH]1 | [C][O][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][NH1][Ring1][P] | c16cnn(C)c1C.c14nc5n[nH]1.C3(=O)CC6.CO4.N35 |
1925900 | Cc1cc(C(=O)NCc2ccc(OC(C)(C)C)nc2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][O][N][Branch1][C][C][N][=Ring2][Ring1][Branch1] | Cc1cc7n(C)n1.c18ccc5nc1.C4(C)(C)C.C37=O.N36.C68.O45 |
1925901 | O=C(Cc1cccnc1)NCCNc1cccc(Br)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cccc(Br)c1.c16cccnc1.O=C2C6.C3C4.N23.N45 |
1925902 | Cc1cc(C(=O)NCCNc2cccc(Br)c2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C] | c16cccc(Br)c1.Cc1cc7no1.C37=O.C4C5.N34.N56 |
1925903 | O=C(NCCNc1cccc(Br)c1)C1CC=CC1 | [O][=C][Branch1][S][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][=C][C][Ring1][Branch1] | c15cccc(Br)c1.C16CC=CC1.O=C26.C3C4.N23.N45 |
1925904 | Cc1n[nH]c2ncc(NC(=O)N3CCOC(C)C3C)cc12 | [C][C][=N][NH1][C][=N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][P] | Cc1n[nH]c2ncc6cc12.N15CCOC(C)C1C.C45=O.N46 |
1925905 | CN(C1(C#N)CCC1)S(=O)(=O)c1cccnc1 | [C][N][Branch1][O][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | S3(=O)(=O)c1cccnc1.C12(C#N)CCC1.CN23 |
1925907 | COC(=O)c1cc(NCc2ccnn2C)ccc1C | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][=C][C] | c16cc5ccc1C.c17ccnn1C.C36=O.CO3.N45.C47 |
1925908 | Cc1csc(Nc2ccc(NC(=O)CN3CCOCC3)cc2)n1 | [C][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=N][Ring2][Ring1][=Branch1] | c17ccc8cc1.Cc1csc6n1.N15CCOCC1.C4(=O)C5.N67.N48 |
1925909 | O=C(CN1CCOCC1)Nc1cc(Cc2ccccc2)ccc1O | [O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][O] | c15cc6ccc1O.N14CCOCC1.c17ccccc1.O=C3C4.N35.C67 |
1925910 | Cc1cccc(F)c1NC(=O)NCC(O)c1ccc(F)cc1 | [C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cccc(F)c15.c16ccc(F)cc1.C4C6O.C23=O.N25.N34 |
1925911 | NC(C(=O)N1CCN(c2ccc(F)cn2)CC1)c1ccccc1 | [N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN4CC1.c14ccc(F)cn1.c15ccccc1.NC5C3=O |
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