| Compound Class |
| S.No. |
Class |
Sub-Class |
No of Compounds |
| 1. | Azepine | Diazepine | 12 |
| Diazepinone | 1 |
| Benzoxazepine | 35 |
| Oxazepine | 20 |
| Thiazepine | 21 |
| 2. | Flavone | Isoflavone | 6 |
| Homo-isoflavonoids | 16 |
| Amino-flavone | 16 |
| 3. | Furan | Benzo-furan | 2 |
| Benzo-furanone | 5 |
| 4 | Hydantoin | Pseudo-thio-hydantoin | 1 |
| Benzylidene-hydantoin | 5 |
| Methylidene-hydantoin | 2 |
| 5. | Imidazole | Nitro-imidazole | 6 |
| Pyrimidinyl-imidazole | 3 |
| Imidazole | 5 |
| Benzimidazole | 4 |
| 6. | Indole | Diselenobis-indole | 13 |
| Dithiobis-indole | 115 |
| Pyrimido-indole | 19 |
| Thioxo-indole | 14 |
| Indole | 28 |
| Indolinone | 115 |
| Indolizine | 19 |
| Indolone | 16 |
| Isoindolone | 2 |
| Isoindole-dione | 4 |
| 7. | Naphthalene | Naphthalene derivative | 3 |
| Naphthylurea | 1 |
| Naphthyridine | 17 |
| 8. | Oxazole | Pyridinyl-oxazole | 1 |
| Oxazole | 1 |
| Thiazole | 1 |
| Thiazolidinone | 24 |
| Triazole | 5 |
| 9. | Phenone | Acrylo-phenone | 21 |
| Benzo-phenone | 1 |
| 10. | Purine | Purine | 30 |
| 11. | Pyrazole | Amino-pyrazole | 1 |
| Dihydroindeno-pyrazole | 3 |
| Pyrrolo-pyrazole | 3 |
| Thieno-pyrazole | 1 |
| Pyrazole | 2 |
| 12 | Pyridine | Diamino-pyridine | 3 |
| Imidazo-pyridine | 4 |
| Pyrazine-Pyridine | 4 |
| Pyrazolo-pyridine | 1 |
| Pyrrolo-pyridine | 1 |
| Thieno-pyridine | 18 |
| Triazine-pyridine | 1 |
| Benzimidazole-pyridone | 2 |
| 13. | Pyrimidine | Pyrido-pyrimidine | 257 |
| Pyrazolo-pyrimidine | 264 |
| Pyrimidine | 254 |
| Pyrrolo-pyrimidine | 176 |
| Thieno-pyrimidine | 109 |
| Anilino-pyrimidine | 55 |
| Pyrrolo-pyrimidinone | 25 |
| Benzo-thieno-pyrimidine | 23 |
| Thiazolo-pyrimidine | 22 |
| Pyrimido-Pyrimidine | 42 |
| Anilino-pyrido-pyrimidine | 13 |
| Pyrido-thieno-pyrimidine | 2 |
| Pyrrolo-pyrimidone | 2 |
| Benzo-furano-pyrimidine | 1 |
| Thiazolo-thieno-pyrimidine | 1 |
| Imidazole-pyrimidine | 1 |
| Pyridinyl-Pyrimidine | 1 |
| Pyrimidinone | 1 |
| 14. | Quinazoline | Anilino-quinazoline | 857 |
| Quinazoline | 182 |
| 15. | Quinoline | Anilino-quinoline | 258 |
| Iso-quinoline | 13 |
| Pyndinyl-quinoline | 4 |
| Quinoline | 51 |
| Iso-quinolinone | 2 |
| 16. | Quinone | Naphtho-furo-quinone | 16 |
| Quinone | 5 |
| 17. | Thiazole | Amino-thiazole | 5 |
| Benzo-thiazole | 55 |
| Carboxamido-thiazole | 1 |
| Imidazo-thiazole | 21 |
| Thioaryl-thiazole | 1 |
| Oxadiazole | 1 |
| 18. | Triazine | Benzo-triazine | 2 |
| Pyridinyl-triazine | 1 |
| Pyrrolo-triazine | 129 |
| Triazene | 7 |
| Triazine | 29 |
| 19. | Urea | Pyrazole-thio-urea | 46 |
| Phenyl-urea | 18 |
| Pyrazole-urea | 1 |
| Thiourea | 18 |
| 20. | Tyrphostin | Tyrphostin | 173 |
| 21. | Salicylate | Amino-salicylate | 88 |
| 22. | Other |
| Benzylidene | 27 |
| Salicylanilide | 32 |
| Hydroxybiphenyl | 26 |
| Phthalimide | 26 |
| Sulfonyl-benzoyl-Nitrostyrene | 24 |
| Dianilino-phthalimide | 24 |
| Benzoic nitrogen mustard derivative | 20 |
| Chrysin | 20 |
| Benzodioxane | 19 |
| Cinnamic acid metronidazole ester | 19 |
| Diphenyl-amine | 32 |
| Quercetin | 16 |
| Biaryl | 13 |
| Azaspiro-octane | 12 |
| Cinnamide | 5 |
| Benzamide | 10 |
| Carboline | 13 |
| Alternaria(Extract) | 8 |
| Benzamidine | 8 |
| Pyrrolo-pyridazine | 8 |
| Anthraquinone | 7 |
| Indolylmaleimide | 4 |
| Imidazo-pyrazine | 5 |
| Pyrrole-dione | 5 |
| Chalcone | 2 |
| Flavopiridol | 3 |
| Methanone | 4 |
| Cisplatin | 1 |
| Pyridine | 3 |
| Anthracycline | 1 |
| Anthranilamide | 2 |
| Benzo-diazole | 2 |
| Betaenone | 2 |
| Phthalazine | 2 |
| Pyridine-aceto-nitrile | 1 |
| Quinoxaline | 2 |
| Steroid | 2 |
| Amido-hetero-aryl | 1 |
| Benzoxazole | 1 |
| Bisindolylmaleimide | 2 |
| Butyrolactone | 1 |
| Cinnoline | 1 |
| Imidazo-quinoxaline | 1 |
| Indirubin | 1 |
| Propenamide | 1 |
| Pyrazoleamide | 1 |
| Pyridinone | 1 |
| Indazole | 9 |
| Nicotinamide | 24 |
| Piperidine | 1 |
| Pyrazolyl-thiazolinone | 36 |
| Unknown | 46 |
