ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7729 | Cc1nc(C)c(-c2nnc(-c3ccc(Cl)cc3)o2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][S][Ring2][Ring1][C] | Cc1nc(C)c4s1.c15ccc(Cl)cc1.c14nnc5o1 |
7731 | O=S(=O)(NCc1ccco1)c1ccc(OC(F)(F)F)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | O=S4(=O)c1ccc2cc1.c15ccco1.O2C(F)(F)F.N34.C35 |
7732 | Cc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)oc1=O | [C][C][=C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][N][Branch1][C][C][O][C][Ring2][Ring1][Branch1][=O] | Cc1c5n(C)oc1=O.c16ccc4cc1.c15nc6no1.C4(F)(F)F |
7733 | COC(=O)c1sccc1NC(=O)c1c(C)c(=O)on1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][N][Ring1][#Branch1][C] | c16c(C)c(=O)on1C.c15sccc14.C25=O.C36=O.CO2.N34 |
7737 | CCOC(=O)C1CCN(C(=O)Cc2ccccc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][P] | C17CCN4CC1.c18ccccc16.C4(=O)C8.C37=O.CC5.O35.O6C |
7738 | COc1ccccc1CC(=O)Nc1ccc(F)cc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c13ccccc15.C5C2=O.CO3.N24 |
7739 | COC(=O)c1ccc(NC(=O)Cc2ccccc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc15.C4(=O)C8.C37=O.CO3.N46.O5C |
7740 | COc1ccccc1CC(=O)Nc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14ccccc17.c15cccc6c1.C7C2=O.C3(C)=O.CO4.N25.N36 |
7742 | Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | c15ccc6cc1.Cc1cc4no1.C6(F)(F)F.C35=O.N34 |
7743 | Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(F)(F)F | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F] | Cn1c6nnc17.c15ccc(F)cc1.C4C3=O.C6(F)(F)F.S47.N35 |
7744 | Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][S][Ring2][Ring1][C] | c16sc2ccccc2c1Cl.Cc1nnc5s1.C46=O.N45 |
7745 | Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | c14ccc6cc1.Cc1cc5no1.C6(F)(F)F.C35=O.N34 |
7746 | Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16ccc4cc1.Cc1cc5no1.c15nc6no1.C4(F)(F)F |
7747 | CC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)c(O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][C] | c16nc2cc(C)c(C)cc2o1.c15ccc6c(O)c1.CC4=O.N45 |
7748 | O=C(NC1c2ccccc2Oc2ccccc21)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N3C1c2ccccc2Oc2ccccc21.c14ccncc1.O=C34 |
7749 | Cn1cnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.Cn1cnnc16.C4C3=O.S46.N35 |
7750 | Cc1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c16cccc4c1.Cc1cc5no1.c15nnc6o1.C4(F)(F)F |
7752 | O=C(Cn1c(=O)oc2ccccc21)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c(=O)oc2ccccc21.c13ccccc1.O=C3C4 |
7753 | CC(=O)c1c(OC(=O)c2ccco2)ccc2c(C)cc(=O)oc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=Ring1][Branch2] | c16c4ccc2c(C)cc(=O)oc12.c15ccco1.CC6=O.C35=O.O34 |
7754 | CC(C)(C)c1cc(C(N)=O)n(Cc2ccccc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C] | c15cc3n4n1.c16ccccc1.CC5(C)C.C3(N)=O.C46 |
7756 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | c15ccc(S4(=O)=O)cc1.N14CCCCC1C.CC3=O.N35 |
7757 | Cc1cccc(OCC(=O)Nc2c(C)cccc2C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c16c(C)cccc1C.C4C3=O.O45.N36 |
7758 | CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | CS(=O)(=O)c1nc2ccccc2n14.N13CCCCC1.C4C3=O |
7760 | Cc1cc(-c2onc(C)c2C(=O)Nc2ccc(Cl)cc2)no1 | [C][C][=C][C][Branch2][Ring1][O][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Branch1] | c16onc(C)c15.c14ccc(Cl)cc1.Cc1cc6no1.C35=O.N34 |
7761 | Cc1ccc(NC(=O)c2c(C)noc2-c2cc(C)on2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.c15c(C)noc16.c16cc(C)on1.C35=O.N34 |
7762 | Cc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.c16ccccc17.C4C3=O.C7(N)=O.O45.N36 |
7763 | Cc1cccc(OCC(=O)NCc2ccccc2)c1C | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | Cc1cccc5c1C.c17ccccc1.C4C3=O.O45.N36.C67 |
7764 | Cc1cccc(OCC(=O)NCc2ccco2)c1C | [C][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P][C] | Cc1cccc5c1C.c17ccco1.C4C3=O.O45.N36.C67 |
7765 | Brc1ccc2ncnc(N3CCOCC3)c2c1 | [Br][C][=C][C][=C][N][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=C][Ring1][S] | Brc1ccc2ncnc4c2c1.N14CCOCC1 |
7767 | COC(=O)c1c(C)oc2cc3c(C(=O)OC)c(C)oc3cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][C][=Ring1][#Branch2][C][=C][Ring2][Ring1][C][Ring1][=C] | c16c(C)oc2cc3c7c(C)oc3cc12.C46=O.C57=O.CO4.O5C |
7768 | Cc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C] | c16ccc(S(N)(=O)=O)cc1.Cc1cccc5c1C.C4C3=O.O45.N36 |
7769 | COC(=O)c1c(C)nn(C(=O)c2ccc(C)cc2)c1-c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c14c(C)nn(C5=O)c16.c15ccc(C)cc1.c16cc(C)on1.C34=O.CO3 |
7770 | COC(=O)c1c(C)nn(-c2ccccc2)c1-c1cc(C)on1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c14c(C)nn5c16.c15ccccc1.c16cc(C)on1.C34=O.CO3 |
7772 | CC(=O)Nc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.N14C(C)CCCC1C.CC3=O.N35 |
7774 | COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1] | c18cc2cc6ccc2oc1=O.c15ccc7cc1.C48=O.CO5.N47.O6C |
7776 | CC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cccc6c13.c14cccnc1.CC5C.C6(C)C.C24=O.N23 |
7777 | CC(C)c1cccc(C(C)C)c1NC(=O)c1ccncc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc6c13.c14ccncc1.CC5C.C6(C)C.C24=O.N23 |
7778 | COc1ccccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] | c16c7cccc18.c14ccccc15.C3C2=O.C7(C)C.C8(C)C.CO4.O35.N26 |
7779 | COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C] | c14ccc(S(=O)(=O)n2cnc3ccccc32)cc1C.CO4 |
7780 | COc1cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c13cc(C)c(C)cc1S(=O)(=O)n1cnc2ccccc21.CO3 |
7781 | O=C(Nc1ccno1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][=Branch2][N][C][=C][C][=N][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.c14ccno1.O=C23.N24.N35 |
7784 | CC(C)OC(=O)c1cc2cc(Br)ccc2oc1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.CC4C.C35=O.O34 |
7785 | O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1 | [O][=S][=Branch1][C][=O][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | O=S(=O)(CC3)c1nc2ccccc2[nH]1.c14ccccc1.O34 |
7786 | Cc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.c15c(C)noc16.c16snnc1C.C35=O.N34 |
7787 | Cc1nnsc1-c1onc(C)c1C(=O)Nc1ccc(Cl)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15onc(C)c14.c13ccc(Cl)cc1.Cc1nnsc15.C24=O.N23 |
7788 | O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc2oc7nc2c1.c17ccccc1.c16cccnc1.O=C46.N45 |
7789 | CCN(CC)S(=O)(=O)c1ccc(CCNC(C)=O)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][N] | S6(=O)(=O)c1ccc7cc1.N346.C7C5.C2(C)=O.CC3.C4C.N25 |
7790 | CCOC(=O)c1noc(C)c1-c1csc(COc2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] | c17noc(C)c19.c19csc8n1.c16ccccc1.C37=O.CC4.O34.C58.O56 |
7792 | COc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.c16c(C)noc17.c17snnc1C.C36=O.CO4.N35 |
7793 | CCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c15ccc(S4(=O)=O)cc1.C25=O.N4(C)C.CC3.O23 |
7794 | CCOC(=O)c1sc(-c2csc(C)n2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][C][=Ring1][O][C] | c15sc6nc1C.c16csc(C)n1.C35=O.CC4.O34 |
7795 | CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(N)cc1.C13CCCCC1.CN23 |
7796 | FC(F)(F)Oc1ccc(-c2nnc(-c3ccncc3)o2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nnc6o1.c16ccncc1.FC(F)(F)O4 |
7797 | FC(F)(F)Oc1ccccc1-c1nnc(-c2ccncc2)o1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O] | c13ccccc14.c14nnc5o1.c15ccncc1.FC(F)(F)O3 |
7800 | CC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1 | [C][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | C4S(=O)(=O)c1ccc(Cl)cc1.c13csc4n1.CC3=O |
7801 | CC(=O)c1csc(CS(=O)(=O)c2ccccn2)n1 | [C][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C] | C4S(=O)(=O)c1ccccn1.c13csc4n1.CC3=O |
7802 | CC(=O)c1csc(COc2ccc(Cl)cc2)n1 | [C][C][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=C] | c14ccc(Cl)cc1.c15csc6n1.CC5=O.C36.O34 |
7803 | COc1ccc(OCc2nc(C(C)=O)cs2)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][S][Ring1][Branch2][C][=C][Ring1][S] | c14ccc5cc1.c17nc6cs1.C6(C)=O.CO4.O35.C37 |
7805 | Cc1cccc(OCCn2c(SCC(N)=O)nc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][#Branch1] | n17c8nc2ccccc21.Cc1cccc5c1.C6C(N)=O.C4C7.O45.S68 |
7806 | NC(=O)CSc1nc2ccccc2n1CCO | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O] | c15nc2ccccc2n14.NC(=O)C3.C4CO.S35 |
7807 | CC1CCCCN1S(=O)(=O)c1ccc(N)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(N)cc1.CC1CCCCN12 |
7808 | Cc1nn(-c2ccc(F)cc2)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1nn3c(=O)c2noc(C)c12.c13ccc(F)cc1 |
7809 | CC(=O)c1csc(COc2ccccc2Cl)n1 | [C][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][=C] | c14ccccc1Cl.c15csc6n1.CC5=O.C36.O34 |
7810 | O=C(Oc1cc(Cl)cc(Cl)c1)c1ccno1 | [O][=C][Branch1][S][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=N][O][Ring1][Branch1] | c13cc(Cl)cc(Cl)c1.c14ccno1.O=C24.O23 |
7811 | CCCN1C(=O)c2ccccc2NC1c1ccc(F)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13C(=O)c2ccccc2NC14.c14ccc(F)cc1.CCC3 |
7812 | COC(=O)c1noc(C)c1-c1ccnn1C(=O)c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccnn1C4=O.c13noc(C)c15.c14ccc(Cl)cc1.C23=O.CO2 |
7813 | COC(=O)c1noc(C)c1-c1ccnn1C(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15ccnn1C4=O.c13noc(C)c15.c14ccc(C)cc1.C23=O.CO2 |
7814 | CCCN1C(=O)c2ccccc2NC1c1ccc2c(c1)OCO2 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | N13C(=O)c2ccccc2NC14.c14ccc2c(c1)OCO2.CCC3 |
7815 | CCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(OC)c1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | N15C(=O)c2ccccc2NC16.c16ccc3c4c1.CCC5.O3C.O4C |
7816 | CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | N14C(=O)c2ccccc2NC15.c15ccc3cc1.CCC4.O3C |
7817 | CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | N15C(=O)c2ccccc2NC16.c16ccc3cc14.CCC5.O3C.O4C |
7819 | Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15cccc2ccccc12.Nc1ccc6cc1.C46=O.N45 |
7820 | Cc1ccc2ncnc(NCc3cccnc3)c2c1 | [C][C][=C][C][=C][N][=C][N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2ncnc5c2c1.c16cccnc1.N45.C46 |
7821 | CCOC(=O)CSc1nnc(-c2ccccc2Cl)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c17ccccc1Cl.c16nnc7o1.C3(=O)C5.CC4.O34.S56 |
7827 | Nc1ccc2oc(-c3ccccc3Br)nc2c1 | [N][C][=C][C][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][Ring1][N][=C][Ring1][S] | Nc1ccc2oc4nc2c1.c14ccccc1Br |
7828 | Cc1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | C3S(=O)(=O)c1ccc4cn1.Cc1ccc3cc1.C4(F)(F)F |
7830 | COc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c15cc(C)nc6n1.c14ccc7cc1.N16CCOCC1.CO4.N57 |
7831 | COc1ccc(-c2nc3cc(N)ccc3o2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][Cl] | c15nc2cc(N)ccc2o1.c14ccc5cc1Cl.CO4 |
7832 | COc1ccc(-c2nc3cc(N)ccc3o2)cc1Br | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][Br] | c15nc2cc(N)ccc2o1.c14ccc5cc1Br.CO4 |
7833 | CSc1nc2sc3c(c2c2nnc(C)n12)CCCC3 | [C][S][C][=N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=N][N][=C][Branch1][C][C][N][Ring1][=N][Ring1][=Branch1][C][C][C][C][Ring1][=N] | c14nc2sc3c(c2c2nnc(C)n12)CCCC3.CS4 |
7836 | Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 | [N][C][=C][C][=C][Branch1][C][O][C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=C][Ring1][P] | c14nc2cc(Cl)ccc2o1.Nc1ccc(O)c4c1 |
7837 | O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cccnc1 | [O][=C][Branch2][Ring1][=C][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17cccc6c1.n15nnc7n1.c14cccnc1.O=C3C5.C6(F)(F)F.N34 |
7838 | Nc1ccc2nn(-c3ccc(Br)cc3)nc2c1 | [N][C][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=Ring1][S] | Nc1ccc2nn4nc2c1.c14ccc(Br)cc1 |
7839 | Cc1n[nH]c(C)c1Sc1nnc(C(F)(F)F)n1C | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][C] | Cc1n[nH]c(C)c14.c13nnc2n1C.C2(F)(F)F.S34 |
7840 | COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccc(Cl)cc1.c13ccc6c4c1.CO3.N56.O4C |
7843 | CCOC(=O)CSc1nc2cc(C(F)(F)F)cnc2n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][N][Ring1][=N][C] | c17nc2cc6cnc2n1C.C3(=O)C5.C6(F)(F)F.CC4.O34.S57 |
7844 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OC)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c18ccc9c7c1.c1%10ccc6cc1.C38=O.C49=O.C5%10=O.CO3.O4C.N57.O6C |
7845 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC(F)F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] | C2(=O)C1=C(C)NC(=O)NC14.c14ccccc13.O3C(F)F.CO2 |
7846 | COc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc16.c14ccc8cc1.C38=O.CO4.N37.O5C.O6C |
7849 | CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc17.c15ccc9cc1.C39=O.CC4.O45.N38.O6C.O7C |
7850 | Cn1c(SCC(=O)c2ccccc2)nnc1C(F)(F)F | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] | Cn1c5nnc16.c14ccccc1.C3C4=O.C5(F)(F)F.S36 |
7854 | CCn1nc(-c2cccs2)cc1C(=O)NC(C)C | [C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | n16nc7cc15.c17cccs1.C35=O.C4(C)C.CC6.N34 |
7855 | COc1ccc(OCC(=O)Nc2nccs2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17nccs1.C4C3=O.CO5.O46.N37 |
7857 | CCN(CC)C(=O)COc1ccc2c(C)cc(=O)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N] | c15ccc2c(C)cc(=O)oc2c1.C3(=O)C4.N367.CC6.C7C.O45 |
7859 | Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn4c(=O)c2noc(C)c12.c14cccc3c1.C3(F)(F)F |
7860 | Cc1nn(-c2ccc(F)cc2F)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1nn3c(=O)c2noc(C)c12.c13ccc(F)cc1F |
7861 | Cc1nn(-c2ccc(Cl)cc2)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1nn3c(=O)c2noc(C)c12.c13ccc(Cl)cc1 |
7862 | Cc1ccc(-n2nc(C)c3c(C)onc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][O][N][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n14nc(C)c2c(C)onc2c1=O.Cc1ccc4cc1 |
7863 | Cc1nn(-c2ccccc2C(F)(F)F)c(=O)c2noc(C)c12 | [C][C][=N][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn4c(=O)c2noc(C)c12.c14ccccc13.C3(F)(F)F |
7864 | COC(=O)c1cccc(NC(=O)c2cccs2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c17cccc5c1.c16cccs1.C37=O.C46=O.CO3.N45 |
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