Dataset Viewer
data_idx
int64 0
99
| step_idx
int64 0
20
| smiles
stringlengths 2
4.97k
|
|---|---|---|
0 | 0 |
CCSC(=S)NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
|
0 | 1 |
CCSc1nc2cc(OCCCCCCCCCCNC(=O)C(C)(C)C)c(Cl)cc2s1
|
0 | 2 |
CCSc1nc2cc(OCCCCCCCCCCNC(=O)C(C)(C)C)c(Cl)cc2s1
|
0 | 3 |
CCCCCCCCCCCCCCCCCCC(CNC(=O)c1nc(Cl)c(N)nc1N)CSCC
|
0 | 4 |
CCCCCCCCCCCCCCCCCCCC(CNC(=O)c1nc(Cl)c(N)nc1N)CSCC
|
0 | 5 |
CCCCCCCCCCCCCCCCCCCC(CNC(=O)c1nc(Cl)c(N)nc1N)CSCC
|
0 | 6 |
CCCCCCCCCCCCCCCCCCCC(CNC(=O)c1nc(Cl)c(N)nc1N)CSCC
|
0 | 7 |
CCCCCCCCCCCCCCCCCCCC(CNC(=O)c1nc(Cl)c(N)nc1N)CSCC
|
0 | 8 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(NC(=O)c1ccc(N(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
|
0 | 9 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(NC(=O)c1ccc(N(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
|
0 | 10 |
CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCCCCCCCCCCCCC(=O)OC)C(=O)OC(C)(C)C)cc1
|
0 | 11 |
CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCCCCCCCCCCCCC(=O)OC)C(=O)OC(C)(C)C)cc1
|
0 | 12 |
CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCCCCCCCCCCCCC(=O)OC)C(=O)OC(C)(C)C)cc1
|
0 | 13 |
CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCCCCCCCCCCCCC(=O)OC)C(=O)OC(C)(C)C)cc1
|
0 | 14 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)Cc1cncc(-c2cc(OC)c(OC)c(OC)c2)n1
|
0 | 15 |
CCN(Cc1cncc(-c2cc(OC)c(OC)c(OC)c2)n1)C(=O)CCCCCCCNC(=O)C(N)CCCNC(=N)N
|
0 | 16 |
CCN(CCCCCCCCCCCC(=O)Oc1ccc2c(c1)CC(N(CC)CCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)CC2)Cc1ccccc1OC
|
0 | 17 |
CCN(CCCCCCCCCCCC(=O)Oc1ccc2c(c1)CC(N(CC)CCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)CC2)Cc1ccccc1OC
|
0 | 18 |
CCN(CCCCCCCCCCCC(=O)Oc1ccc2c(c1)CC(N(CC)CCCCNc1c3c(nc4cc(Cl)c(F)cc14)CCCC3)CC2)Cc1ccccc1OC
|
0 | 19 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cccc(CN(CC)CCCCNC(=O)c2cnc3cc(OC)c(OC)cc3c2O)c1
|
0 | 20 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOc1cccc(CN(CC)CCCCNC(=O)c2cnc3cc(OC)c(OC)cc3c2O)c1
|
1 | 0 |
CC(=O)C(c1ccccc1)c1ccccc1
|
1 | 1 |
CC(=O)C(c1ccccc1)c1ccccc1
|
1 | 2 |
CC(=O)C(c1ccccc1)c1ccccc1
|
1 | 3 |
CC(=O)C(Cc1ccccc1)Nc1ccccc1
|
1 | 4 |
CC(=O)C(Cc1ccccc1)Nc1ccccc1
|
1 | 5 |
CC(=O)C(=Cc1ccccc1)c1ccccc1
|
1 | 6 |
CC(C)C(=Cc1ccccc1)c1ccccc1
|
1 | 7 |
CC(C)C(=Cc1ccccc1)C(=O)O
|
1 | 8 |
CC(C)C(=Cc1ccccc1)C(=O)O
|
1 | 9 |
CC(C)C(=Cc1ccccc1)C(=O)O
|
1 | 10 |
CC(C)C(=Cc1ccccc1)C(=O)O
|
1 | 11 |
CC(C)C(=O)C=Cc1ccccc1
|
1 | 12 |
CC(C)C(=O)C=Cc1ccccc1
|
1 | 13 |
CC(C)(C(=O)C=Cc1ccccc1)c1ccccc1
|
1 | 14 |
CC(C)(C(=O)C=Cc1ccccc1)C(O)c1ccccc1
|
1 | 15 |
CC(C)C(=O)C=Cc1ccc(O)cc1
|
1 | 16 |
CC(C)C(=O)C=Cc1ccc(O)cc1
|
1 | 17 |
CC(C)C(=O)C=Cc1ccc(O)cc1
|
1 | 18 |
CC(C)(C(=O)C=Cc1ccc(O)cc1)C(N)C(=O)O
|
1 | 19 |
CC(C)(C(=O)C=Cc1ccc(O)cc1)C(N)C(=O)O
|
1 | 20 |
CC(C)C(=O)C=C(O)c1ccc2ccccc2c1
|
2 | 0 |
c1cncc(Cc2ccccc2-c2nn[nH]n2)c1
|
2 | 1 |
COc1nonc1Cc1cccnc1
|
2 | 2 |
COc1nonc1Cc1cccnc1
|
2 | 3 |
COc1nonc1Cc1cccnc1
|
2 | 4 |
COc1cc(Cc2cccnc2)ncn1
|
2 | 5 |
COc1cc(Cc2cccnc2)ncn1
|
2 | 6 |
COc1cc(Cc2cccnc2)ncn1
|
2 | 7 |
COc1ccccc1-c1nnc(-c2cccnc2)o1
|
2 | 8 |
COc1ccccc1-c1nnc(-c2cccnc2)o1
|
2 | 9 |
COc1ccccc1-c1nnc(-c2cccnc2)o1
|
2 | 10 |
COc1ccccc1C=Cc1nn[nH]n1
|
2 | 11 |
COc1ccccc1C=Cc1nn[nH]n1
|
2 | 12 |
COc1ccccc1C=Cc1nn[nH]n1
|
2 | 13 |
COc1ccccc1Cn1nnc(-c2ccco2)n1
|
2 | 14 |
COc1ccccc1CNCc1ccoc1
|
2 | 15 |
COc1ccccc1CNCc1ccoc1
|
2 | 16 |
COc1ccccc1CNCc1ccoc1
|
2 | 17 |
COc1ccccc1CNCc1ccoc1
|
2 | 18 |
COc1ccccc1CNC(=O)c1cc(C)nc2ccccc12
|
2 | 19 |
COc1ccccc1CNC(=O)c1cc(C)nc2ccccc12
|
2 | 20 |
COc1ccccc1CNC(=O)c1cc(C)nc2ccccc12
|
3 | 0 |
CN=C(S)NCCc1ccccc1
|
3 | 1 |
CN=C(S)NCCc1ccccc1
|
3 | 2 |
CN=C(S)NCCc1ccccc1
|
3 | 3 |
CN=C(S)NCCc1ccccc1
|
3 | 4 |
CN=C(S)NCCCc1ccccc1
|
3 | 5 |
CN=C(S)NCCCc1ccccc1
|
3 | 6 |
CN=C(S)NCCCc1ccccc1
|
3 | 7 |
CN=C(S)NCCCc1ccccc1
|
3 | 8 |
CN=C(S)NCCCc1ccccc1
|
3 | 9 |
CN=C(S)NCCCCO
|
3 | 10 |
CN=C(S)NCCCCO
|
3 | 11 |
CN=C(S)NCCCCOc1ccccc1
|
3 | 12 |
CN=C(S)NCCCOc1ccccc1
|
3 | 13 |
CN=C(S)NCCCOc1ccc(C)cc1
|
3 | 14 |
CN=C(S)NCCCN(C)Cc1ccccc1
|
3 | 15 |
CN=C(S)NCCCN(C)Cc1ccccc1
|
3 | 16 |
CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(OC)cc1
|
3 | 17 |
CNC(=O)CSc1nnc(Cc2ccccc2)n1CCOC
|
3 | 18 |
CNC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1Cc1ccccc1
|
3 | 19 |
CNC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1Cc1ccccc1
|
3 | 20 |
CNC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1CCO
|
4 | 0 |
O=C(c1ccc(Cl)cc1)c1cccnc1
|
4 | 1 |
O=C(c1ccc(Cl)cc1)C(Cl)Cl
|
4 | 2 |
O=C(Cc1ccc(Cl)cc1)N1CCCC1
|
4 | 3 |
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
|
4 | 4 |
O=C(Cc1ccc(Cl)cc1)N(c1ccccc1)c1cccnc1
|
4 | 5 |
O=C(Cc1ccc(Cl)cc1)N(c1ccccc1)c1cccnc1
|
4 | 6 |
O=C(Cc1ccc(Cl)cc1)N(c1ccccc1)c1cccnc1
|
4 | 7 |
O=C(Cc1ccc(Cl)cc1)N(c1ccccc1)c1cccnc1
|
4 | 8 |
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
|
4 | 9 |
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
|
4 | 10 |
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
|
4 | 11 |
O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
|
4 | 12 |
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCOCC1
|
4 | 13 |
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCOCC1
|
4 | 14 |
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCOCC1
|
4 | 15 |
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCOCC1
|
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 4