data_idx int64 0 99 | step_idx int64 0 20 | smiles stringlengths 2 4.97k |
|---|---|---|
33 | 7 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 8 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 9 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 10 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 11 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 12 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 13 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 14 | CC1=CN=C2C=C(N)C=CBrC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 15 | CC1=CN=C2C=C(N)C=CNC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 16 | CC1=CN=C2C=C(N)C=CNC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 17 | CC1=CN=C2C=C(N)C=CNC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 18 | CC1=CN=C2C=C(N)C=[IH2]NC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 19 | CC1=CN=C2C=C(N)C=NNC=C(C=O)C3CN4CC=C(C13)C24.CCF |
33 | 20 | CC1=CN=C2C=C(N)[IH2]=NNC=C(C=O)C3CN4CC=C(C13)C24.CCF |
34 | 0 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 1 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 2 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 3 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 4 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 5 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 6 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 7 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 8 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 9 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 10 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 11 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 12 | CC1CCC2=[N+](N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 13 | CC1CCC2=S(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 14 | CC1CCC2=S(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 15 | CC1CCC2=S(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 16 | CC1CCC2=S(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 17 | CC1CCC2=C(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 18 | CC1CCC2=C(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 19 | CC1CCC2=C(N=[N+](COC=O)[O+]=C2SC=O)N(Cl)CC1.CF.FCF |
34 | 20 | CC1CCC2=C(N=[N+](COC=O)C=C2SC=O)N(Cl)CC1.CF.FCF |
35 | 0 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 1 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 2 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 3 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 4 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 5 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 6 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 7 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 8 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 9 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 10 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 11 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 12 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 13 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 14 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 15 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)ONCO.O=CC1=CC=CC=C1 |
35 | 16 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)OBrCO.O=CC1=CC=CC=C1 |
35 | 17 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)OBrCO.O=CC1=CC=CC=C1 |
35 | 18 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)NCCO.O=CC1=CC=CC=C1 |
35 | 19 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)NCCO.O=CC1=CC=CC=C1 |
35 | 20 | CC(=O)(O)NCC1(C=O)CC=C1C(=O)NCCO.O=CC1=CC=CC=C1 |
36 | 0 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 1 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 2 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 3 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 4 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 5 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 6 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 7 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 8 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 9 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 10 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 11 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 12 | CC.CCC(C)=C1CC=NNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 13 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 14 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 15 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 16 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 17 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 18 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 19 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
36 | 20 | CC.CCC(C)=C1CC=CNC2(=CN=CC=N2)NC(=O)CC(C)C1.CO |
37 | 0 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 1 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 2 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 3 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 4 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 5 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 6 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 7 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 8 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 9 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 10 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 11 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 12 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 13 | CC1=NCCC=CCCCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 14 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 15 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 16 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 17 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 18 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 19 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
37 | 20 | CC1=NCCC=CCOCC(=S)N(C)C(C)CCC1=C1C=CCC1CN |
38 | 0 | CC1=NC2=CCC3C(CC(F)NN4P=C5C=C4(C)C2(O)N5)C3(=I)C1 |
38 | 1 | CC1=NC2=CCC3C(CC(F)NN4P=C5C=C4(C)C2(O)N5)C3(=I)C1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.