data_idx int64 0 99 | step_idx int64 0 20 | smiles stringlengths 2 4.97k |
|---|---|---|
38 | 2 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 3 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 4 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 5 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 6 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 7 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 8 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 9 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 10 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 11 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 12 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 13 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 14 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 15 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 16 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 17 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 18 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 19 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
38 | 20 | CC12=CC3=PC1NC(F)CC1C4CC=C(N=C(I)CC41=I)C2(O)N3 |
39 | 0 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 1 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 2 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 3 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 4 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 5 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 6 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 7 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 8 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 9 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 10 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 11 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 12 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 13 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 14 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 15 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 16 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 17 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 18 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 19 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
39 | 20 | CC=C1NC(C)C[O+](C)C(=O)CNCCC12=CC=C(C)CC2.CF.CO |
40 | 0 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 1 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 2 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 3 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 4 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 5 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 6 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 7 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 8 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 9 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 10 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 11 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 12 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 13 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 14 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 15 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 16 | CC=CCC=CC=C1(Cl)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 17 | CC=CCC=CC=C1(S)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 18 | CC=CCC=CC=C1(S)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 19 | CC=CCC=CC=C1(S)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
40 | 20 | CC=CCC=CC=C1(S)C=C(C)C=NC(=O)SC2=C1C=CC=[N+]2C |
41 | 0 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 1 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 2 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 3 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 4 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 5 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 6 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 7 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 8 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 9 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 10 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 11 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 12 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 13 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 14 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 15 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 16 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 17 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 18 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 19 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
41 | 20 | C=CC(=O)PCC.C=CNC=C1OCCN=CC1(=O)C=CC.CC1C=CCOC1 |
42 | 0 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 1 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 2 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 3 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 4 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 5 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 6 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 7 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 8 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 9 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 10 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 11 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 12 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 13 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 14 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 15 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 16 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
42 | 17 | CC(=O)CNIN=C(C)C1CC=S(C(C)(=O)CO)[N+]2=CC1=CC=C2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.