smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1	ZINC000049757291	554324884	/nfs/dbraw/zinc/32/48/84/554324884.db2.gz	CTMCWCONSULRHO-UHQPFXKFSA-N	-1	3	643.642	0.347	30	10	in-man	KCCCHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N2CCO[C@H](OC)C2)[C@H](O)[C@H](C)O1	ZINC000049757291	554324880	/nfs/dbraw/zinc/32/48/80/554324880.db2.gz	CTMCWCONSULRHO-UHQPFXKFSA-N	-1	3	643.642	0.347	30	10	in-man	KCCCHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN32)[C@H](C)O1	ZINC000067915304	554538163	/nfs/dbraw/zinc/53/81/63/554538163.db2.gz	SLURUCSFDHKXFR-WWMWMSKMSA-N	-1	3	641.626	0.711	30	10		KCCCHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]2[C@H](O[C@@H]3[C@@H](OC)OCCN32)[C@H](C)O1	ZINC000067915304	554538162	/nfs/dbraw/zinc/53/81/62/554538162.db2.gz	SLURUCSFDHKXFR-WWMWMSKMSA-N	-1	3	641.626	0.711	30	10		KCCCHM