ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
35710 | Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4 | [C][C][=N][N][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][Ring1][=Branch2][=N][C][Ring1][=N][=O][C][C][C][C][Ring1][O] | Cc1nn2cnc3sc4c(c3c2nc1=O)CCCC4 |
35711 | COc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | n17c(C)cc(=O)c2cccc(C)c21.c15ccc6cc1.C4(=O)C7.CO5.N46 |
35712 | CCOC(=O)c1c(NC(=O)CC(C)C)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][S][C][Branch1][C][C][=C][Ring1][=N][C] | c16c5sc(C)c1C.C3(=O)CC(C)C.C26=O.CC4.O24.N35 |
35713 | O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14ccc(F)cc1.O=C2CC34.N12CCCCC1.c13ccco1 |
35714 | CCC1CCc2nc3sc(C(=O)NC4CC4)c(N)c3cc2C1 | [C][C][C][C][C][C][=N][C][S][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Branch1][C][N][C][=Ring1][N][C][=C][Ring1][S][C][Ring2][Ring1][Ring2] | C18CCc2nc3sc7c(N)c3cc2C1.C57=O.C16CC1.CC8.N56 |
35715 | COC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.C17CCCO1.C45=O.CO4.C67 |
35716 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cc(C)sc15.c17ccccc1.C26=O.C37=O.CC4.O24.N35 |
35717 | Cc1nn2c(C)nc3sc4c(c3c2nc1=O)CC(C)(C)OC4 | [C][C][=N][N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][Ring1][#Branch2][=N][C][Ring1][=C][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=N] | Cc1nn2c(C)nc3sc4c(c3c2nc1=O)CC(C)(C)OC4 |
35718 | COc1ccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][Ring2][Ring1][=Branch1] | c15nc2c(c(=O)n(C)c(=O)n2C)n1C.c16ccc7cc1.CO6.C47.O45 |
35720 | CC(C)On1c(SCC(=O)N(C)C)nc2ccccc2c1=O | [C][C][Branch1][C][C][O][N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | O4n1c6nc2ccccc2c1=O.C5C3=O.CC4C.N3(C)C.S56 |
35721 | COC(=O)C(CC(C)C)NC(=O)Nc1ccc(C(C)=O)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | C2(=O)C5CC(C)C.c16ccc7cc1.C34=O.C7(C)=O.CO2.N35.N46 |
35722 | COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N] | C16(C)Cc2ccccc2C(=O)O1.c14ccccc15.C36=O.CO4.N35 |
35723 | CCOC(=O)c1cnc(-n2cc(C)cn2)nc1NCc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17cnc9nc16.n19cc(C)cn1.c18ccco1.C37=O.CC4.O34.N56.C58 |
35724 | CN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N] | c14oc6nc1C#N.c15ccccc1.c16ccco1.CN34.C35 |
35727 | Cc1cccc(C)c1NC(=O)COc1ccc(F)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cccc(C)c15.c14ccc(F)cc1.C2(=O)C3.N25.O34 |
35728 | Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=C][Ring2][Ring1][C][C] | Cc1ccc6cc1C.c15nnc7s1.C34=O.C7(C)C.N36.N45 |
35729 | COC(=O)Cc1cccc2c(CC(=O)OC)cccc12 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Ring1][#C][Ring1][O] | c15cccc2c6cccc12.C3(=O)C5.C6C4=O.CO3.O4C |
35730 | O=C(Nc1ccccc1)c1cc(=O)[nH]c2ccccc12 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15cc(=O)[nH]c2ccccc12.c14ccccc1.O=C35.N34 |
35731 | COc1ccc(Cn2c(C)nc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P][O][C] | n16c(C)nc2ccccc21.c14ccc7cc15.CO4.C67.O5C |
35732 | Cc1nc2nc(-c3ccc(Cl)cc3)cn2nc1C | [C][C][=N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][N][Ring1][N][N][=C][Ring1][S][C] | Cc1nc2nc4cn2nc1C.c14ccc(Cl)cc1 |
35733 | Cc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1 | [C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][NH1][Ring1][S] | Cc1cc3c(C#N)c(=O)[nH]1.c13ccc(Br)cc1 |
35734 | COC(=O)CSc1nnc2sc3ccccc3n12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][Ring1][=Branch2] | c16nnc2sc3ccccc3n12.C4(=O)C5.CO4.S56 |
35737 | O=C(Oc1cc(=O)oc2ccccc12)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14cc(=O)oc2ccccc12.c15ccco1.O=C35.O34 |
35738 | Cc1ccccc1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O] | c14ncc2c(n1)CC(C)(C)CC2=O.Cc1ccccc15.C35=O.N34 |
35740 | Cc1cc(C)n(-c2nc3ccccc3c(=O)n2O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][O][N][=Ring2][Ring1][C] | c14nc2ccccc2c(=O)n1O.Cc1cc(C)n4n1 |
35742 | CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(C)c1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c17[nH]c2ccc(F)cc2c16.c18cccc(C)c1.C37=O.C48=O.CC5.O35.N46 |
35744 | O=C(Nc1ccc(Cl)cn1)c1coc(=O)c(Br)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][Branch2] | c14coc(=O)c(Br)c1.c13ccc(Cl)cn1.O=C24.N23 |
35745 | CCc1nc2cc(C)nn2c2nc3ccccc3n12 | [C][C][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][Ring1][=Branch2] | c14nc2cc(C)nn2c2nc3ccccc3n12.CC4 |
35746 | CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCC1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1] | c17[nH]c2ccc(F)cc2c16.C4(=O)CC8.C18CCCC1.C37=O.CC5.O35.N46 |
35747 | CC(C)Cc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 | [C][C][Branch1][C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c14nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2.CC(C)C4 |
35748 | N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3 | [N][#C][C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][N][C][C][C][Ring1][#C] | N#Cc1sc2nc3c(c5c2c1N)CCC3.c15cccnc1 |
35749 | COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3)c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | c15cccc2c(=O)cc(C)n7c12.c16ccccc1.C7C4=O.CO5.N46 |
35751 | C=CCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc21 | [C][=C][C][N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring2][Ring1][C] | n16cc5c(=O)c2cc(F)c(F)cc21.C=CC6.C35=O.O34.C4C |
35752 | COc1ccc2c(c1OC)C(=O)OC2Nc1cccnc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc2c(c14)C(=O)OC2N5.c15cccnc1.CO3.O4C |
35753 | Cc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(C)c21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][=N] | n15c(C)cc(=O)c2cccc(C)c21.Cc1ccccc14.C3(=O)C5.N34 |
35754 | Cc1c(C#N)c2ncn(Cc3ccccn3)c(=O)c2n1-c1ccccc1 | [C][C][=C][Branch1][Ring1][C][#N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c(C#N)c2ncn4c(=O)c2n16.c15ccccn1.c16ccccc1.C45 |
35755 | COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16[nH]c2ccccc2c15.c17ccccc1F.C36=O.C47=O.CO3.N45 |
35756 | CCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc21 | [C][C][C][N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring2][Ring1][C] | n16cc5c(=O)c2cc(F)c(F)cc21.CCC6.C35=O.O34.C4C |
35757 | CSc1nc2sc3c(c2c2nncn12)CC(C(C)C)OC3 | [C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=C][N][Ring1][N][Ring1][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][Ring1][#C] | c15nc2sc3c(c2c2nncn12)CC4OC3.C4(C)C.CS5 |
35758 | CCOC(=O)C1CCCc2c1[nH]c1c(C(N)=O)cccc21 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][N][Ring1][=Branch2] | C3(=O)C1CCCc2c1[nH]c1c5cccc21.C5(N)=O.CC4.O34 |
35759 | COC(=O)Cn1c(C)nc2c(sc3nc(C)cc(C)c32)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=N][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][S][=O] | n15c(C)nc2c(sc3nc(C)cc(C)c32)c1=O.C4(=O)C5.CO4 |
35760 | Cc1cc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Ring1][N][N][=N][O][Ring2][Ring1][Branch1] | c16sc2nc(C)c(C)c(C)c2c1N.Cc1cc5no1.C46=O.N45 |
35762 | COc1cccc2c(=O)cc(C)n(Cc3ccccc3)c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=Ring1][#C] | c14cccc2c(=O)cc(C)n5c12.c16ccccc1.CO4.C56 |
35763 | COc1cccc2c(=O)cc(C)n(CC(=O)Nc3cccc(C)c3)c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c15cccc2c(=O)cc(C)n7c12.c16cccc(C)c1.C7C4=O.CO5.N46 |
35764 | CC1(C)Cc2c(sc3ncn4nc(-c5ccncc5)nc4c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][N][S][C][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][Ring2][Ring1][C][=Ring1][#C][C][O][Ring2][Ring1][#Branch1] | CC1(C)Cc2c(sc3ncn4nc6nc4c23)CO1.c16ccncc1 |
35765 | Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | n16c(C)cc(=O)c2ccccc21.Cc1ccc5cc1.C4(=O)C6.N45 |
35766 | Cc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3)c12 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | Cc1cccc2c(=O)cc(C)n6c12.c15ccccc1.C6C4=O.N45 |
35767 | COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16[nH]c2ccccc2c15.c17ccc(F)cc1.C36=O.C47=O.CO3.N45 |
35768 | N#Cc1ccc(-c2cccs2)nc1SCC(N)=O | [N][#C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][S][C][C][Branch1][C][N][=O] | N#Cc1ccc5nc14.c15cccs1.C3C(N)=O.S34 |
35769 | COc1cccc2c(=O)cc(C)n(CC(=O)NCc3ccccc3)c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c15cccc2c(=O)cc(C)n7c12.c18ccccc1.C7C4=O.CO5.N46.C68 |
35770 | COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1F | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16[nH]c2ccc(F)cc2c15.c17ccccc1F.C36=O.C47=O.CO3.N45 |
35771 | C=CCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n15c6nc2ccccc2c1=O.N13CCOCC1.C4C3=O.C=CC5.S46 |
35772 | COc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | n17c(C)cc(=O)c2ccccc21.c15ccc6cc1.C4(=O)C7.CO5.N46 |
35773 | COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)cc3)c12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c15cccc2c(=O)cc(C)n7c12.c16ccc(C)cc1.C7C4=O.CO5.N46 |
35774 | CC(C)Cc1nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3 | [C][C][Branch1][C][C][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=N] | c14nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3.CC(C)C4 |
35775 | NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2c(=O)n14.C15CCCCC1.NC(=O)C3.S36.C45 |
35776 | Cc1cccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | n16c(C)cc(=O)c2ccccc21.Cc1cccc5c1.C4(=O)C6.N45 |
35778 | O=C(CC(c1ccccc1)c1ccco1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=C2CC34.c14ccccc1.N12CCOCC1.c13ccco1 |
35779 | N#CC1(c2ccccc2)CCC(=O)N1c1ccccc1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#CC14CCC(=O)N13.c14ccccc1.c13ccccc1 |
35780 | Nn1c(CCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 | [N][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][P][=O][C][C][C][C][Ring1][=Branch2] | Nn1c4nc2sc3c(c2c1=O)CCCC3.c15ccccc1.C4C5 |
35781 | CC(C)(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccccc1.CC46C.C35=O.N34 |
35782 | NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | C14CCN3CC1.c15ccccc1Cl.NC4=O.C35=O |
35783 | CC(C)(NC(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c15ccc(F)cc1.CC46C.C35=O.N34 |
35784 | COc1ccc(CNC(=O)CSc2cccc3cccnc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c19cccc2cccnc12.c15ccc8cc1.C4(=O)C7.CO5.C68.N46.S79 |
35785 | CC(C)(O)c1nc(-c2ccccc2)nn1-c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc5nn14.c15ccccc1.c14ccccc1.CC3(C)O |
35786 | Cc1ccccc1C(=O)NCc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.Cc1ccccc15.C35=O.N34.C46 |
35787 | Cc1ccc2c(c1)C(O)(C(C)C(=O)c1ccccc1)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C] | Cc1ccc2c(c1)C(O)(C(C)C3=O)C(=O)N2.c13ccccc1 |
35788 | Cc1ccccc1NC(=O)Cn1c(C)cc(=O)c2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n15c(C)cc(=O)c2ccccc21.Cc1ccccc14.C3(=O)C5.N34 |
35790 | CCOc1nc2nonc2nc1Nc1ccccc1 | [C][C][O][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2nonc2nc15.c16ccccc1.CC3.O34.N56 |
35791 | COc1ccc(NC(=O)Nc2nc(C)cc(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc8c6c1.c17nc(C)cc(C)n1.C34=O.CO5.N38.N47.O6C |
35792 | COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)N1CCOCC1 | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c17[nH]c2ccc(C)cc2c16.N15CCOCC1.C37=O.C45=O.CO3.N46 |
35793 | CC1CCc2c(sc3c2c(=O)n(C)c2nnnn32)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=N][N][Ring1][O][Ring1][Branch1][C][Ring2][Ring1][C] | CC1CCc2c(sc3c2c(=O)n(C)c2nnnn32)C1 |
35794 | COC(=O)c1[nH]c2ccccc2c1NC(=O)N1CCOCC1 | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c17[nH]c2ccccc2c16.N15CCOCC1.C37=O.C45=O.CO3.N46 |
35795 | CCOc1ccc(C(O)c2cnc(C(C)C)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][=C][Ring1][P] | c14ccc7cc1.c15cnc6n1C.C57O.C6(C)C.CC3.O34 |
35796 | O=C(NCCc1ccc(Cl)cc1)c1cccnc1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(Cl)cc1.c14cccnc1.O=C24.C3C5.N23 |
35798 | COC(=O)c1sc2nc(-c3cccnc3)ccc2c1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=Ring1][#C][N] | c15sc2nc6ccc2c1N.c16cccnc1.C45=O.CO4 |
35799 | CCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC | [C][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c15sc6c(C)c17.CCCC4=O.C26=O.C37=O.N45.O2C.O3C |
35800 | N#CC1(Nc2ccc(Br)cc2)C(=O)Nc2ccccc21 | [N][#C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | N#CC13C(=O)Nc2ccccc21.c14ccc(Br)cc1.N34 |
35801 | CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c19[nH]c2ccc7cc2c18.N15CCOCC1.C39=O.C45=O.CC6.O36.O7C.N48 |
35802 | CCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][O] | c16sc2nc3c(cc2c1N)C(=O)CCC3.C46=O.CC5.O45 |
35803 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c18cc4c5cc16.c17ccco1.C28=O.C37=O.CO2.O4C.O5C.N36 |
35804 | CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | n16cnc2cc5ccc21.S4(=O)(=O)c1ccccc1.CC6(C)C.N45 |
35805 | O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(F)cc1.O=C2CC34.N12CCOCC1.c13ccco1 |
35806 | c1ccc(-n2nnc3c(N4CCOCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=N][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n16nnc2c5ncnc21.c1ccc6cc1.N15CCOCC1 |
35807 | COc1ccc(C(=O)NC(C)c2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c15ccc7cc1.C47=O.C68C.CO5.N46 |
35808 | Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 | [C][N][C][=N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | Cn1cnc2cc5ccc21.c16ccc(Cl)cc1.C46=O.N45 |
35810 | c1ccc(-c2nc3sc4c(ncn5nnnc45)c3c3c2CCC3)cc1 | [C][=C][C][=C][Branch2][Ring1][S][C][=N][C][S][C][=C][Branch1][N][N][=C][N][N][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=Ring1][N][C][=C][Ring1][S][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] | c16nc2sc3c(ncn4nnnc34)c2c2c1CCC2.c1ccc6cc1 |
35811 | COc1cc(C(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c14cc9cc5c16.c1%10ccccc1.C39=O.N378.C8(C)C.CO4.C7%10.O5C.O6C |
35812 | COc1ccc(Cn2ccnc2)cc1Br | [C][O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][Br] | c13ccc5cc1Br.n14ccnc1.CO3.C45 |
35813 | COc1ccc(-c2csc3nc(C)n(CCO)c(=O)c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][N][=C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16csc2nc(C)n5c(=O)c12.c14ccc6cc1.C5CO.CO4 |
35814 | COc1ccc2c(c1)c(=O)cc(C)n2CC(=O)NCc1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)c(=O)cc(C)n26.c17ccccc1.C6C3=O.CO4.N35.C57 |
35815 | COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17c(C)cc(=O)oc1C.c14ccc6c5c1.C37=O.CO4.N36.O5C |
35816 | N#CC1(Nc2cccc(Br)c2)C(=O)Nc2ccccc21 | [N][#C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | N#CC13C(=O)Nc2ccccc21.c14cccc(Br)c1.N34 |
35817 | CCC(Sc1nnnn1C)C(=O)Nc1ccc(C(C)=O)cc1 | [C][C][C][Branch1][#Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c14ccc5cc1.CCC3C2=O.c16nnnn1C.C5(C)=O.S36.N24 |
35818 | CCC(=O)N1CC2(CC)CN(C(=O)CC)CC(CC)(C1)C2O | [C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring2][C][Ring1][S][C][Ring1][#C][O] | N13CC25CN4CC6(C1)C2O.CCC3=O.C4(=O)CC.C5C.C6C |
35819 | COc1ccccc1NC(=O)Nc1nnc(C(C)C)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2] | c14ccccc16.c15nnc7s1.C23=O.C7(C)C.CO4.N26.N35 |
35820 | CCOC(=O)C(Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.c17ccc5cc1.C3(=O)C6C7.CC4.O34.O5C |
35822 | N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCOCC1 | [N][#C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c16nc2ccccc2nc14.N#CC6C3=O.N14CCOCC1.C15CC1.N35 |
35824 | Oc1ccc(SC(F)(F)C(F)C(F)(F)F)c(O)c1 | [O][C][=C][C][=C][Branch2][Ring1][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][O][=C][Ring1][P] | C2(F)(F)C(F)C(F)(F)F.Oc1ccc3c(O)c1.S23 |
35825 | CC(C)C(=O)Nc1c(-c2ccccc2)nc2ccccn12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] | c14c5nc2ccccn12.c15ccccc1.CC(C)C3=O.N34 |
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