smiles_a string | smiles_b string | smiles string | label int64 |
|---|---|---|---|
C(=C/C(=O)O)\C(=O)O | COC1=CC=C(C=C1)C(=O)N | C(=C/C(=O)O)\C(=O)O.COC1=CC=C(C=C1)C(=O)N | 1 |
C(=C/C(=O)O)\C(=O)O | CC1=CC=CC=C1C(=O)N | C(=C/C(=O)O)\C(=O)O.CC1=CC=CC=C1C(=O)N | 0 |
C(=C/C(=O)O)\C(=O)O | CC1=CC=CC(=C1)C(=O)N | C(=C/C(=O)O)\C(=O)O.CC1=CC=CC(=C1)C(=O)N | 1 |
C(=C/C(=O)O)\C(=O)O | CC1=CC=C(C=C1)C(=O)N | C(=C/C(=O)O)\C(=O)O.CC1=CC=C(C=C1)C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | c1ccc(c(c1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 0 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)O | c1ccc(c(c1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)O | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC=C1C(=O)N)O | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC=C1C(=O)N)O | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC(=C1)F)C(=O)N | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC(=C1)F)C(=O)N | 0 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC=C1C(=O)N)F | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC=C1C(=O)N)F | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)N | c1ccc(c(c1)C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)N | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC(=C1)N)C(=O)N | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC(=C1)N)C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | C1=CC(=CC=C1C(=O)N)N | c1ccc(c(c1)C(=O)O)O.C1=CC(=CC=C1C(=O)N)N | 0 |
c1ccc(c(c1)C(=O)O)O | COC1=CC=CC=C1C(=O)N | c1ccc(c(c1)C(=O)O)O.COC1=CC=CC=C1C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | COC1=CC=CC(=C1)C(=O)N | c1ccc(c(c1)C(=O)O)O.COC1=CC=CC(=C1)C(=O)N | 0 |
c1ccc(c(c1)C(=O)O)O | COC1=CC=C(C=C1)C(=O)N | c1ccc(c(c1)C(=O)O)O.COC1=CC=C(C=C1)C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | CC1=CC=CC=C1C(=O)N | c1ccc(c(c1)C(=O)O)O.CC1=CC=CC=C1C(=O)N | 0 |
c1ccc(c(c1)C(=O)O)O | CC1=CC=CC(=C1)C(=O)N | c1ccc(c(c1)C(=O)O)O.CC1=CC=CC(=C1)C(=O)N | 1 |
c1ccc(c(c1)C(=O)O)O | CC1=CC=C(C=C1)C(=O)N | c1ccc(c(c1)C(=O)O)O.CC1=CC=C(C=C1)C(=O)N | 1 |
C(=O)(N)N | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | C(=O)(N)N.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 0 |
C(=O)(N)N | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | C(=O)(N)N.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 1 |
C(=O)(N)N | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | C(=O)(N)N.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 0 |
C(=O)(N)N | C1=CC=C(C(=C1)C(=O)N)O | C(=O)(N)N.C1=CC=C(C(=C1)C(=O)N)O | 0 |
C(=O)(N)N | C1=CC(=CC=C1C(=O)N)O | C(=O)(N)N.C1=CC(=CC=C1C(=O)N)O | 1 |
C(=O)(N)N | C1=CC(=CC(=C1)F)C(=O)N | C(=O)(N)N.C1=CC(=CC(=C1)F)C(=O)N | 0 |
C(=O)(N)N | C1=CC(=CC=C1C(=O)N)F | C(=O)(N)N.C1=CC(=CC=C1C(=O)N)F | 0 |
C(=O)(N)N | C1=CC=C(C(=C1)C(=O)N)N | C(=O)(N)N.C1=CC=C(C(=C1)C(=O)N)N | 0 |
C(=O)(N)N | C1=CC(=CC(=C1)N)C(=O)N | C(=O)(N)N.C1=CC(=CC(=C1)N)C(=O)N | 0 |
C(=O)(N)N | C1=CC(=CC=C1C(=O)N)N | C(=O)(N)N.C1=CC(=CC=C1C(=O)N)N | 1 |
C(=O)(N)N | COC1=CC=CC=C1C(=O)N | C(=O)(N)N.COC1=CC=CC=C1C(=O)N | 1 |
C(=O)(N)N | COC1=CC=CC(=C1)C(=O)N | C(=O)(N)N.COC1=CC=CC(=C1)C(=O)N | 0 |
C(=O)(N)N | COC1=CC=C(C=C1)C(=O)N | C(=O)(N)N.COC1=CC=C(C=C1)C(=O)N | 0 |
C(=O)(N)N | CC1=CC=CC=C1C(=O)N | C(=O)(N)N.CC1=CC=CC=C1C(=O)N | 0 |
C(=O)(N)N | CC1=CC=CC(=C1)C(=O)N | C(=O)(N)N.CC1=CC=CC(=C1)C(=O)N | 0 |
C(=O)(N)N | CC1=CC=C(C=C1)C(=O)N | C(=O)(N)N.CC1=CC=C(C=C1)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | c1ccc(cc1)C(=O)N.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | c1ccc(cc1)C(=O)N.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | c1ccc(cc1)C(=O)N.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 1 |
c1ccc(cc1)C(=O)N | C1=CC=C(C(=C1)C(=O)N)O | c1ccc(cc1)C(=O)N.C1=CC=C(C(=C1)C(=O)N)O | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC=C1C(=O)N)O | c1ccc(cc1)C(=O)N.C1=CC(=CC=C1C(=O)N)O | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC(=C1)F)C(=O)N | c1ccc(cc1)C(=O)N.C1=CC(=CC(=C1)F)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC=C1C(=O)N)F | c1ccc(cc1)C(=O)N.C1=CC(=CC=C1C(=O)N)F | 0 |
c1ccc(cc1)C(=O)N | C1=CC=C(C(=C1)C(=O)N)N | c1ccc(cc1)C(=O)N.C1=CC=C(C(=C1)C(=O)N)N | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC(=C1)N)C(=O)N | c1ccc(cc1)C(=O)N.C1=CC(=CC(=C1)N)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | C1=CC(=CC=C1C(=O)N)N | c1ccc(cc1)C(=O)N.C1=CC(=CC=C1C(=O)N)N | 0 |
c1ccc(cc1)C(=O)N | COC1=CC=CC=C1C(=O)N | c1ccc(cc1)C(=O)N.COC1=CC=CC=C1C(=O)N | 0 |
c1ccc(cc1)C(=O)N | COC1=CC=CC(=C1)C(=O)N | c1ccc(cc1)C(=O)N.COC1=CC=CC(=C1)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | COC1=CC=C(C=C1)C(=O)N | c1ccc(cc1)C(=O)N.COC1=CC=C(C=C1)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | CC1=CC=CC=C1C(=O)N | c1ccc(cc1)C(=O)N.CC1=CC=CC=C1C(=O)N | 1 |
c1ccc(cc1)C(=O)N | CC1=CC=CC(=C1)C(=O)N | c1ccc(cc1)C(=O)N.CC1=CC=CC(=C1)C(=O)N | 0 |
c1ccc(cc1)C(=O)N | CC1=CC=C(C=C1)C(=O)N | c1ccc(cc1)C(=O)N.CC1=CC=C(C=C1)C(=O)N | 1 |
C(=O)(C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | C(=O)(C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | C(=O)(C(=O)O)O.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 0 |
C(=O)(C(=O)O)O | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | C(=O)(C(=O)O)O.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 1 |
C(=O)(C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)O | C(=O)(C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)O | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC=C1C(=O)N)O | C(=O)(C(=O)O)O.C1=CC(=CC=C1C(=O)N)O | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC(=C1)F)C(=O)N | C(=O)(C(=O)O)O.C1=CC(=CC(=C1)F)C(=O)N | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC=C1C(=O)N)F | C(=O)(C(=O)O)O.C1=CC(=CC=C1C(=O)N)F | 1 |
C(=O)(C(=O)O)O | C1=CC=C(C(=C1)C(=O)N)N | C(=O)(C(=O)O)O.C1=CC=C(C(=C1)C(=O)N)N | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC(=C1)N)C(=O)N | C(=O)(C(=O)O)O.C1=CC(=CC(=C1)N)C(=O)N | 1 |
C(=O)(C(=O)O)O | C1=CC(=CC=C1C(=O)N)N | C(=O)(C(=O)O)O.C1=CC(=CC=C1C(=O)N)N | 1 |
C(=O)(C(=O)O)O | COC1=CC=CC=C1C(=O)N | C(=O)(C(=O)O)O.COC1=CC=CC=C1C(=O)N | 1 |
C(=O)(C(=O)O)O | COC1=CC=CC(=C1)C(=O)N | C(=O)(C(=O)O)O.COC1=CC=CC(=C1)C(=O)N | 1 |
C(=O)(C(=O)O)O | COC1=CC=C(C=C1)C(=O)N | C(=O)(C(=O)O)O.COC1=CC=C(C=C1)C(=O)N | 1 |
C(=O)(C(=O)O)O | CC1=CC=CC=C1C(=O)N | C(=O)(C(=O)O)O.CC1=CC=CC=C1C(=O)N | 1 |
C(=O)(C(=O)O)O | CC1=CC=CC(=C1)C(=O)N | C(=O)(C(=O)O)O.CC1=CC=CC(=C1)C(=O)N | 1 |
C(=O)(C(=O)O)O | CC1=CC=C(C=C1)C(=O)N | C(=O)(C(=O)O)O.CC1=CC=C(C=C1)C(=O)N | 1 |
c1cc(ccc1O)O | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | c1cc(ccc1O)O.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 0 |
c1cc(ccc1O)O | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | c1cc(ccc1O)O.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 1 |
c1cc(ccc1O)O | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | c1cc(ccc1O)O.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 0 |
c1cc(ccc1O)O | C1=CC=C(C(=C1)C(=O)N)O | c1cc(ccc1O)O.C1=CC=C(C(=C1)C(=O)N)O | 0 |
c1cc(ccc1O)O | C1=CC(=CC=C1C(=O)N)O | c1cc(ccc1O)O.C1=CC(=CC=C1C(=O)N)O | 1 |
c1cc(ccc1O)O | C1=CC(=CC(=C1)F)C(=O)N | c1cc(ccc1O)O.C1=CC(=CC(=C1)F)C(=O)N | 1 |
c1cc(ccc1O)O | C1=CC(=CC=C1C(=O)N)F | c1cc(ccc1O)O.C1=CC(=CC=C1C(=O)N)F | 0 |
c1cc(ccc1O)O | C1=CC=C(C(=C1)C(=O)N)N | c1cc(ccc1O)O.C1=CC=C(C(=C1)C(=O)N)N | 0 |
c1cc(ccc1O)O | C1=CC(=CC(=C1)N)C(=O)N | c1cc(ccc1O)O.C1=CC(=CC(=C1)N)C(=O)N | 1 |
c1cc(ccc1O)O | C1=CC(=CC=C1C(=O)N)N | c1cc(ccc1O)O.C1=CC(=CC=C1C(=O)N)N | 0 |
c1cc(ccc1O)O | COC1=CC=CC=C1C(=O)N | c1cc(ccc1O)O.COC1=CC=CC=C1C(=O)N | 1 |
c1cc(ccc1O)O | COC1=CC=CC(=C1)C(=O)N | c1cc(ccc1O)O.COC1=CC=CC(=C1)C(=O)N | 0 |
c1cc(ccc1O)O | COC1=CC=C(C=C1)C(=O)N | c1cc(ccc1O)O.COC1=CC=C(C=C1)C(=O)N | 1 |
c1cc(ccc1O)O | CC1=CC=CC=C1C(=O)N | c1cc(ccc1O)O.CC1=CC=CC=C1C(=O)N | 0 |
c1cc(ccc1O)O | CC1=CC=CC(=C1)C(=O)N | c1cc(ccc1O)O.CC1=CC=CC(=C1)C(=O)N | 1 |
c1cc(ccc1O)O | CC1=CC=C(C=C1)C(=O)N | c1cc(ccc1O)O.CC1=CC=C(C=C1)C(=O)N | 1 |
C1CC(=O)NC1 | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | C1CC(=O)NC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 1 |
C1CC(=O)NC1 | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | C1CC(=O)NC1.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 1 |
C1CC(=O)NC1 | C1=CC=C(C(=C1)C(=O)N)O | C1CC(=O)NC1.C1=CC=C(C(=C1)C(=O)N)O | 1 |
C1CC(=O)NC1 | C1=CC(=CC=C1C(=O)N)O | C1CC(=O)NC1.C1=CC(=CC=C1C(=O)N)O | 1 |
C1CC(=O)NC1 | C1=CC(=CC(=C1)F)C(=O)N | C1CC(=O)NC1.C1=CC(=CC(=C1)F)C(=O)N | 1 |
C1CC(=O)NC1 | C1=CC(=CC=C1C(=O)N)F | C1CC(=O)NC1.C1=CC(=CC=C1C(=O)N)F | 1 |
C1CC(=O)NC1 | C1=CC=C(C(=C1)C(=O)N)N | C1CC(=O)NC1.C1=CC=C(C(=C1)C(=O)N)N | 1 |
C1CC(=O)NC1 | C1=CC(=CC=C1C(=O)N)N | C1CC(=O)NC1.C1=CC(=CC=C1C(=O)N)N | 1 |
C1CC(=O)NC1 | COC1=CC=CC(=C1)C(=O)N | C1CC(=O)NC1.COC1=CC=CC(=C1)C(=O)N | 1 |
C1CC(=O)NC1 | COC1=CC=C(C=C1)C(=O)N | C1CC(=O)NC1.COC1=CC=C(C=C1)C(=O)N | 1 |
C1CC(=O)NC1 | CC1=CC=CC=C1C(=O)N | C1CC(=O)NC1.CC1=CC=CC=C1C(=O)N | 1 |
C1CC(=O)NC1 | CC1=CC=CC(=C1)C(=O)N | C1CC(=O)NC1.CC1=CC=CC(=C1)C(=O)N | 1 |
C1CC(=O)NC1 | CC1=CC=C(C=C1)C(=O)N | C1CC(=O)NC1.CC1=CC=C(C=C1)C(=O)N | 1 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] | 0 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N | 1 |
CN1C=NC2=C1C(=O)N(C(=O)N2C)C | C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.