ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
8759 | O=C1Cn2nnc(C(=O)c3ccccc3)c2C2(CCCCC2)O1 | [O][=C][C][N][N][=N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1] | O=C1Cn2nnc4c2C2(CCCCC2)O1.c15ccccc1.C45=O |
8760 | CN(C(=O)COc1cc(C(F)(F)F)n(C)n1)c1ccccc1 | [C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc6n(C)n1.c15ccccc1.C2(=O)C3.C6(F)(F)F.CN25.O34 |
8761 | CN(C)C(=O)C(C)(C)Oc1cc(C(F)(F)F)n(C)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2] | c14cc5n(C)n1.C2(=O)C3(C)C.C5(F)(F)F.CN2C.O34 |
8764 | O=C(NCc1ccccc1)c1ncc(C(F)(F)F)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c14ncc6cc1Cl.c15ccccc1.C6(F)(F)F.O=C24.N23.C35 |
8765 | CC(C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c17ccco1.CC5C.C38=O.C47=O.O35.N46 |
8766 | O=C(COc1ccccc1Br)N1CCOCC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc1Br.N12CCOCC1.O=C2C3.O34 |
8767 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc15.CC4.O34.O5C |
8768 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1OCC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc16.CC4.O34.O56.C5C |
8769 | COc1ccccc1Nc1nnc(-c2ccncc2)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O] | c13ccccc15.c14nnc6s1.c16ccncc1.CO3.N45 |
8770 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccc(OC)c(O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc5c(O)c1.CC4.O34.O5C |
8771 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccn1.CC4.O34 |
8772 | O=c1[nH]c2cc(C(F)(F)F)cc(Br)c2[nH]c1=O | [O][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][Br][=C][Ring1][O][NH1][C][Ring1][#C][=O] | O=c1[nH]c2cc3cc(Br)c2[nH]c1=O.C3(F)(F)F |
8773 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccncc1.CC4.O34 |
8774 | CC1(C)c2ccccc2N2CCC(=O)NC21C=Cc1ccncc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][Ring1][#C][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | CC1(C)c2ccccc2N2CCC(=O)NC21C=3.C=3c1ccncc1 |
8775 | CSc1nsc(SC)c1NC(=O)OCC1CCCO1 | [C][S][C][=N][S][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1] | c17nsc8c15.C16CCCO1.C23=O.CS7.S8C.N35.O24.C46 |
8776 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccco1.CC4.O34 |
8777 | COC(=O)C1=C(C)Nc2ncnn2C1c1c(F)cccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | C3(=O)C1=C(C)Nc2ncnn2C1c1c(F)cccc1Cl.CO3 |
8778 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccc(C)cc1.CO3 |
8779 | COc1ccc2c(c1)CCC(C1(O)C(=O)N(C)c3ccccc31)C2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Ring2][Ring1][Ring1][=O] | c14ccc2c(c1)CCC(C1(O)C(=O)N(C)c3ccccc31)C2=O.CO4 |
8780 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccncc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccncc1.CO3 |
8781 | CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccco1 | [C][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c13nn6cc15.c16ccc(Cl)cc1.c14ccco1.CC3=O.C45=O |
8782 | COc1ccc(-c2nc(N)ncc2-c2cscn2)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=C][S][C][=N][Ring1][Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] | c13ccc4c(O)c1.c14nc(N)ncc15.c15cscn1.CO3 |
8783 | Cc1nc(-c2cnc(N)nc2-c2ccc3c(c2O)OCO3)cs1 | [C][C][=N][C][Branch2][Ring1][N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][O][Ring1][#Branch1][=C][S][Ring2][Ring1][=Branch1] | c15ccc2c(c1O)OCO2.c14cnc(N)nc15.Cc1nc4cs1 |
8784 | Cc1ncc(-c2csc(C)n2)c(-c2ccc3c(c2O)OCO3)n1 | [C][C][=N][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][P][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][O][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | c15ccc2c(c1O)OCO2.Cc1ncc4c5n1.c14csc(C)n1 |
8785 | CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | c18oc2ccccc2c1C.c16ccc7cc1.CC4=O.C58=O.N46.N57 |
8786 | CC(C)Cc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 | [C][C][Branch1][C][C][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][O][Ring1][S] | c15nc(C#N)c3o1.N13CCC4CC1.CC(C)C5.C4(N)=O |
8787 | CCn1c(C(=O)OC)cc(=O)c2cc(OC)ccc21 | [C][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][P] | n16c5cc(=O)c2cc4ccc21.C35=O.CC6.O3C.O4C |
8788 | O=C(Nc1ccccc1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccc1.O=C35.N34 |
8789 | C=CCc1ccc2oc(C(=O)OCC)cc(=O)c2c1O | [C][=C][C][C][=C][C][=C][O][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][S][O] | c16ccc2oc5cc(=O)c2c1O.C=CC6.C35=O.O34.C4C |
8791 | COc1ccc(OC(=O)COc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccc(F)cc1.C3(=O)C4.CO5.O36.O47 |
8793 | CC(C)(C)c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][O][Ring1][S] | c15nc(C#N)c3o1.N13CCC4CC1.CC5(C)C.C4(N)=O |
8795 | COc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c18cc2ccccc2o1.c15ccc7c6c1.C48=O.CO5.N47.O6C |
8796 | COc1cccc(NC(=O)c2cc3ccccc3o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | c17cc2ccccc2o1.c15cccc6c1.C47=O.CO5.N46 |
8797 | CCCc1c(SC(=O)N(C)C)ccc(C(C)=O)c1O | [C][C][C][C][=C][Branch1][O][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#C][O] | c14c5ccc3c1O.S5C2=O.CCC4.N2(C)C.C3(C)=O |
8798 | Cc1ccc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cn2c1 | [C][C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][=C][N][Ring1][P][C][=Ring2][Ring1][Branch1] | Cc1ccc2nc5cn2c1.c15ccc(S4(=O)=O)cc1.N4(C)C |
8800 | CCOC(=O)C1=C(C)NC(=O)NC1c1sccc1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][S][C][=C][C][=Ring1][Branch1][C] | C2(=O)C1=C(C)NC(=O)NC14.c14sccc1C.CC3.O23 |
8801 | CC1=C(C(=O)OC(C)C)C(C2CC=CCC2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C5NC(=O)N1.C15CC=CCC1.C4(C)C.O34 |
8802 | CCC(=O)c1ccc(SC(=O)N(C)C)cc1O | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][O] | c13ccc4cc1O.CCC3=O.S4C2=O.N2(C)C |
8803 | CC1=C(C(=O)OC(C)C)C(c2ccc(C)o2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(C)o1.C4(C)C.O34 |
8804 | CC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | c16cc2ccccc2o1.c17cccc5c1.CC7=O.C46=O.N45 |
8805 | CN(C)S(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc5cc1.c15cn2ccccc2n1.CN4C |
8806 | CN(Cc1ccccc1)C(=O)c1cc2ccccc2o1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c16ccccc1.CN34.C35=O.C46 |
8807 | CC1=C(C(=O)OC(C)C)C(c2sccc2C)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C5NC(=O)N1.c15sccc1C.C4(C)C.O34 |
8808 | COC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | C4(=O)C1c2ccccc2Oc2ccccc21.C3(=O)C5.CO3.N45 |
8809 | CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | c18c(C)[nH]c7c1C.c19ccccc1.C38=O.C47=O.CC5.O35.O46.C69 |
8810 | COc1ccc(C(CC#N)C(C#N)c2cccc(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][Ring2][C][C][#N][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c13ccc5cc14.C5(CC#N)C6C#N.c16cccc(F)c1.CO3.O4C |
8811 | CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 | [C][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=Ring1][#Branch1][C][=C][Ring1][O][Cl][C][C][C][Ring1][=Branch2] | c15cc2oc(=O)c3c(c2cc1Cl)CCC3.CC4=O.O45 |
8812 | COc1ccc(NC(=O)c2nn(C)cc2Cl)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17nn(C)cc1Cl.C37=O.CO4.N36.O5C |
8813 | COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17ccc(F)c(Cl)c1.C38=O.CO4.N37.O5C.O6C |
8815 | Cc1occc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.Cc1occc15.C35=O.N34 |
8816 | Cn1ncc(Cl)c1C(=O)Nc1ccc(Cl)cn1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | Cn1ncc(Cl)c14.c13ccc(Cl)cn1.C24=O.N23 |
8817 | Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O][O][Ring2][Ring1][Branch1] | c15sc2c(c17)CCC(C)C2.Cc1ccc6o1.C46=O.C7(N)=O.N45 |
8819 | CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][P][C] | c19c6sc8c1C.c17ccc(C)o1.C39=O.C47=O.C8(C)=O.CC5.O35.N46 |
8820 | O=C(NCC1CCCO1)c1ccc(-c2ccccc2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c15ccc7cc1.c17ccccc1.C16CCCO1.O=C35.N34.C46 |
8821 | COC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][Branch1][C][C][=C][Ring1][S][C] | c16c5sc(C)c1C.c17ccccc1F.C36=O.C47=O.CO3.N45 |
8822 | Cc1cc(OCC(=O)NCC2CCCO2)cc(C)c1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5cc(C)c1Cl.C17CCCO1.C4C3=O.O45.N36.C67 |
8823 | CC(C)c1ccc(OCC(=O)NCC2CCCO2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][P] | c18ccc5cc1.C17CCCO1.C4C3=O.CC8C.O45.N36.C67 |
8824 | Cc1cc(Cl)ccc1OC(C)C(=O)NCC1CCCO1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1cc(Cl)ccc14.C3(C)C2=O.C16CCCO1.O34.N25.C56 |
8826 | CC(C)c1ccccc1OCC(=O)NC1CCCC1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c16ccccc14.C15CCCC1.C3C2=O.CC6C.O34.N25 |
8827 | Cc1ccc(F)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][C] | Cc1ccc(F)cc14.c16nnc5n1C.C2(=O)C3.C5(F)(F)F.N24.S36 |
8828 | O=C(CCC(=O)c1ccccc1)OCc1ccccc1 | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2CCC4=O.c14ccccc1.c15ccccc1.O23.C35 |
8829 | CSc1noc(-c2ccc(Cl)cc2)c1C#N | [C][S][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][N][C][#N] | c13noc4c1C#N.c14ccc(Cl)cc1.CS3 |
8830 | CC(C)(C)c1ccccc1OCC(=O)NCC1CCCO1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c17ccccc14.C16CCCO1.CC7(C)C.C3C2=O.O34.N25.C56 |
8834 | O=C1c2ccccc2-c2c1cccc2C(=O)N1CCOCC1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | O=C1c2ccccc2-c2c4cccc21.N13CCOCC1.C34=O |
8837 | Cc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n14c(C)nc2ccccc2c1=O.Cc1ccc4cc1 |
8838 | CC(C)(C)c1ccccc1OCC(=O)NCc1ccco1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc14.c16ccco1.CC7(C)C.C3C2=O.O34.N25.C56 |
8839 | CCc1nc(N)ncc1-c1nnnn1-c1ccccc1 | [C][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12nc(N)ncc14.c14nnnn13.c13ccccc1.CC2 |
8840 | CCCc1nc(N)ncc1-c1nnnn1-c1ccccc1 | [C][C][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12nc(N)ncc14.c14nnnn13.c13ccccc1.CCC2 |
8841 | CCc1nc(N)ncc1-c1nnnn1-c1ccc(C)cc1 | [C][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c12nc(N)ncc14.c13ccc(C)cc1.c14nnnn13.CC2 |
8842 | CCCc1nc(N)ncc1-c1nnnn1-c1ccc(C)cc1 | [C][C][C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c12nc(N)ncc14.c13ccc(C)cc1.c14nnnn13.CCC2 |
8843 | Fc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Fc1ccc3cc1.n13nnnc14.c14cn[nH]c15.c15ccccc1 |
8844 | CSc1ccccc1C(=O)NCCc1ccccc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c15ccccc1.C24=O.C3C5.CS6.N23 |
8845 | CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c16ccccc15.N13CCN4CC1.c14ccccc1.C35=O.CS6 |
8846 | CSc1nc2ccc(S(=O)(=O)N(C)C)cc2s1 | [C][S][C][=N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][S][Ring1][#C] | c14nc2ccc(S3(=O)=O)cc2s1.N3(C)C.CS4 |
8847 | COC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c15ccc4cc1.c16nnnn15.C2(=O)C3.C4(N)=O.CO2.S36 |
8849 | Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][O][Ring2][Ring1][C] | c15ccc2c(c1)OCCO2.Cc1cc6co1.C46=O.N45 |
8850 | Cc1ccc(CNC(=O)CSc2nnc(C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c17nnc(C)s1.C3(=O)C5.C46.N34.S57 |
8851 | CCOc1ccc(NC(=O)C(C)Sc2nnc(C)s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18nnc(C)s1.C3(=O)C6C.CC4.O45.N37.S68 |
8852 | CSc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)c1 | [C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c18ccc(Cl)c7c1.c15ccc6cc1.C37=O.C4(C)=O.CS8.N35.N46 |
8853 | Cc1ccc(-n2nnnc2-c2cnc(N)nc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c14cnc(N)nc1C.Cc1ccc3cc1.n13nnnc14 |
8854 | Cc1ccc(-n2nnnc2-c2cnc(C)nc2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c14cnc(C)nc15.Cc1ccc3cc1.n13nnnc14.c15ccccc1 |
8856 | Cc1ccc2c(c1)nnc1nnc(SCC(=O)N3CCOCC3)n12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)nnc1nnc6n12.N14CCOCC1.C5C4=O.S56 |
8857 | CNC(=O)c1cccc2cccc(Sc3ccccc3CO)c12 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][#C] | c15cccc2cccc7c12.c18ccccc16.C45=O.CN4.S78.C6O |
8859 | CCNC(=O)c1ccccc1Sc1ccccc1CO | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] | c14ccccc16.c17ccccc15.C24=O.CC3.N23.S67.C5O |
8860 | CCNC(=O)c1ccccc1Sc1ccccc1COC(C)=O | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O] | c16ccccc18.c19ccccc17.C36=O.C2(C)=O.CC5.N35.S89.C47.O24 |
8861 | COc1cc(CNC(=O)c2ccccc2SC)cc(OC)c1OC | [C][O][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc9cc5c16.c18ccccc1%10.C38=O.CO4.C79.N37.S%10C.O5C.O6C |
8862 | CNC(=O)c1ccccc1[S+]([O-])c1cccc2cccc(CO)c12 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][N][Ring1][Branch2] | c14ccccc1[S+]([O-])c1cccc2cccc5c12.C34=O.CN3.C5O |
8864 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)N=C(C)C4C15.c15ccccc1F.C34=O.CO2.O3C |
8865 | NC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12 | [N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=Branch1][Ring2][=C][Ring1][O][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c15cc6c2c(c1)oc(=O)c1ccccc12.NC(=O)C3.C4C(N)=O.O35.O46 |
8866 | CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 | [C][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=Ring1][#Branch1][C][=C][Ring1][O][Cl][C][C][C][C][Ring1][#Branch2] | c15cc2oc(=O)c3c(c2cc1Cl)CCCC3.CC4=O.O45 |
8867 | Cc1cc(=O)oc2cc(OCC(N)=O)c(Cl)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][N] | Cc1cc(=O)oc2cc4c(Cl)cc12.C3C(N)=O.O34 |
8868 | COc1cc(OC)c2c(c1)oc(=O)c1ccccc12 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c13cc4c2c(c1)oc(=O)c1ccccc12.CO3.O4C |
8870 | CNc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 | [C][N][C][=N][C][=C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | c13ncc5c6n1.c15nnnn14.c14ccccc1.c16ccccc1.CN3 |
8872 | COC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Ring1][#C][C][C][C][Ring1][Branch1] | c16c5sc2c1CCC2.c17ccccc1C.C36=O.C47=O.CO3.N45 |
8873 | Cc1sc(NC(=O)c2ccc(F)cc2)c(C(N)=O)c1C | [C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][C][C] | Cc1sc4c6c1C.c15ccc(F)cc1.C35=O.C6(N)=O.N34 |
8874 | CC(=O)Nc1ncc(Cc2ccccc2Cl)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][=N] | c16ccccc1Cl.c14ncc5s1.CC3=O.N34.C56 |
8875 | CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][=N] | c16cccc(Cl)c1.c14ncc5s1.CC3=O.N34.C56 |
8876 | CC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(Cl)cc1.c14ncc5s1.CC3=O.N34.C56 |
8877 | CC(=O)N(C)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17cccs1.CC3=O.N35C.C47=O.N46 |
8878 | CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(Br)cc1.c14ncc5s1.CC3=O.N34.C56 |
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