smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933972	552489784	/nfs/dbraw/zinc/48/97/84/552489784.db2.gz	HWMJTJZEJBSVCG-XQXWFSOWSA-N	0	1	574.535	0.383	40	10	in-man	KCCBMN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933973	552489818	/nfs/dbraw/zinc/48/98/18/552489818.db2.gz	HWMJTJZEJBSVCG-HOOHVNOESA-N	0	1	574.535	0.383	40	10	in-man	KCCBMN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933974	552489811	/nfs/dbraw/zinc/48/98/11/552489811.db2.gz	HWMJTJZEJBSVCG-LSFJDVPESA-N	0	1	574.535	0.383	40	10	in-man	KCCBMN
COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933975	552489764	/nfs/dbraw/zinc/48/97/64/552489764.db2.gz	HWMJTJZEJBSVCG-AMYGVTSUSA-N	0	1	574.535	0.383	40	10	in-man	KCCBMN
COCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009122754	1066292025	/nfs/dbraw/zinc/29/20/25/1066292025.db2.gz	ZYSXPJMCXYUKGZ-XOQYZJNISA-N	0	1	509.519	0.357	40	10		KCCBMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O1	ZINC000066123016	554528443	/nfs/dbraw/zinc/52/84/43/554528443.db2.gz	DJEFXYVVRUAFEB-ZTAYHRRFSA-N	0	1	571.579	0.604	40	10		KCCBMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@@H](O)[C@H](C)O1	ZINC000066123018	554528596	/nfs/dbraw/zinc/52/85/96/554528596.db2.gz	DJEFXYVVRUAFEB-IWKLVQEISA-N	0	1	571.579	0.604	40	10		KCCBMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@H](O)[C@@H](C)O1	ZINC000066123020	554528411	/nfs/dbraw/zinc/52/84/11/554528411.db2.gz	DJEFXYVVRUAFEB-XMAMQQPVSA-N	0	1	571.579	0.604	40	10		KCCBMN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N(C)C)[C@H](O)[C@H](C)O1	ZINC000066123022	554528472	/nfs/dbraw/zinc/52/84/72/554528472.db2.gz	DJEFXYVVRUAFEB-JYIGFBPQSA-N	0	1	571.579	0.604	40	10		KCCBMN