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](N2CCOCC2)[C@@H](O)[C@@H](C)O1	ZINC000027731198	553836132	/nfs/dbraw/zinc/83/61/32/553836132.db2.gz	SXCIMUIAZXOVIR-NDAQAYMYSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@@H](O)[C@@H](C)O1	ZINC000027731198	553836129	/nfs/dbraw/zinc/83/61/29/553836129.db2.gz	SXCIMUIAZXOVIR-NDAQAYMYSA-N	-1	3	613.616	0.375	40	10		KCCBHM
[O-]c1c(CN2CCOCC2)c(CN2CCOCC2)c(O)c(CN2CCOCC2)c1CN1CCOCC1	ZINC000031628765	553861603	/nfs/dbraw/zinc/86/16/03/553861603.db2.gz	IGVCZVYEUKFKOZ-UHFFFAOYSA-N	-1	3	506.644	0.427	40	10		KCCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000044145977	554301584	/nfs/dbraw/zinc/30/15/84/554301584.db2.gz	SXCIMUIAZXOVIR-SAEJABOZSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@@H](O)[C@H](C)O1	ZINC000044145977	554301581	/nfs/dbraw/zinc/30/15/81/554301581.db2.gz	SXCIMUIAZXOVIR-SAEJABOZSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@H](O)[C@@H](C)O1	ZINC000044145980	554301434	/nfs/dbraw/zinc/30/14/34/554301434.db2.gz	SXCIMUIAZXOVIR-KFGCNRBQSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@H](O)[C@@H](C)O1	ZINC000044145980	554301431	/nfs/dbraw/zinc/30/14/31/554301431.db2.gz	SXCIMUIAZXOVIR-KFGCNRBQSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000044145983	554301445	/nfs/dbraw/zinc/30/14/45/554301445.db2.gz	SXCIMUIAZXOVIR-DUPCWEGSSA-N	-1	3	613.616	0.375	40	10		KCCBHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@@H](N2CCOCC2)[C@H](O)[C@H](C)O1	ZINC000044145983	554301443	/nfs/dbraw/zinc/30/14/43/554301443.db2.gz	SXCIMUIAZXOVIR-DUPCWEGSSA-N	-1	3	613.616	0.375	40	10		KCCBHM
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	554528448	/nfs/dbraw/zinc/52/84/48/554528448.db2.gz	DJEFXYVVRUAFEB-ZTAYHRRFSA-N	-1	3	571.579	0.604	40	10		KCCBHM
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	554528601	/nfs/dbraw/zinc/52/86/01/554528601.db2.gz	DJEFXYVVRUAFEB-IWKLVQEISA-N	-1	3	571.579	0.604	40	10		KCCBHM
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	554528414	/nfs/dbraw/zinc/52/84/14/554528414.db2.gz	DJEFXYVVRUAFEB-XMAMQQPVSA-N	-1	3	571.579	0.604	40	10		KCCBHM
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	554528478	/nfs/dbraw/zinc/52/84/78/554528478.db2.gz	DJEFXYVVRUAFEB-JYIGFBPQSA-N	-1	3	571.579	0.604	40	10		KCCBHM
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccccc3[O-])N1)[C@@H](O)[C@H]2O	ZINC000225444978	571816179	/nfs/dbraw/zinc/81/61/79/571816179.db2.gz	CTSNTCDBZUBFGG-GHNWYWNUSA-N	-1	3	616.662	0.352	40	10		KCCBHM