| Ligand ID | Chemical Name | Structure |
| 01500161-sp | CARBINOXAMINE | |
| 01502003-sp | BUFEXAMAC | |
| 107696-dv | NSC_107696 |  |
| 11590-dv | NSC_11590 | |
| 116933-dv | NSC_116933 | |
| 135784-dv | NSC_135784 | |
| 14186-dv | NSC_14186 |  |
| 153330-dv | NSC_153330 | |
| 3753-dv | NSC_3753 | |
| 45388-mc | DACARBAZINE | |
| ZINC00025268 | |  |
| ZINC00029968 | 4-ethoxy-N-(2-morpholin- 4-ium-4-ylethyl)benzamide |  |
| ZINC00038324 | N-(4-fluorophenyl)-2-(4-oxoquinazolin- 3-yl)acetamide |  |
| ZINC00069951 | |  |
| ZINC00080087 | 6-(1,3-benzodioxol-5-ylmethylsulfanyl)- 7H-purine |  |
| ZINC00102041 | 2-[(2-carbamoylphenyl) carbamoyl]benzoic acid |  |
| ZINC00156485 | N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoxaline- 6-carboxamide |  |
| ZINC00186224 | |  |
| ZINC00491301 | 3-(2-phenylethyl)- 7H-purine-2,6-dione |  |
| ZINC00552866 | 3-amino-5-chloro-1-benzofuran- 2-carboxamide |  |
| ZINC00707444 | N-(4-methylphenyl)-2-[(4-oxo-6-phenyl-5,6-dihydro- 3H-pyrimidin-2-yl)sulfanyl]acetamide |  |
| ZINC00827796 | (3S)-1-[2-(1H-indol-3-yl)ethyl]-5- oxopyrrolidine-3-carboxylic acid |  |
| ZINC01280717 | 3-(1,3-benzodioxol-5-yl)-3-hydroxy- 2,2-dimethylpropanoic acid |  |
| ZINC03030088 | N-(5-chloro-2-methoxyphenyl)-2-pyridin-4- yl-4,5-dihydro-1,3-thiazole-4-carboxamide |  |
| ZINC04334160 | |  |
| ZINC04374305 | |  |
| ZINC04558212 | |  |
| ZINC06651784 | 4-methyl-3-[[2-(4-methyl-2-oxo-1,3- thiazol-3-yl)acetyl]amino]benzoate |  |
| ZINC06658003 | |  |
| ZINC06788367 | 5-[2-(cyanomethyl)-1,3-thiazol- 4-yl]-2-hydroxybenzamide |  |