smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCN2c3ncc(O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]4O)cc3Cc3ccccc3[C@@H]2C1	ZINC000044963592	523931634	/nfs/dbraw/zinc/93/16/34/523931634.db2.gz	DSOPOPYPJYTAKL-AZAHOWTPSA-N	0	2	457.483	-0.250	10	0		JBAELN
C[N@@H+]1CCN2c3ncc(O[C@@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]4O)cc3Cc3ccccc3[C@@H]2C1	ZINC000044963592	523931631	/nfs/dbraw/zinc/93/16/31/523931631.db2.gz	DSOPOPYPJYTAKL-AZAHOWTPSA-N	0	2	457.483	-0.250	10	0		JBAELN
C[N@H+]1CCN2c3ncc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3Cc3ccccc3[C@@H]2C1	ZINC000077300741	569705816	/nfs/dbraw/zinc/70/58/16/569705816.db2.gz	DSOPOPYPJYTAKL-AGPWRLRRSA-N	0	2	457.483	-0.250	10	0	in-vitro	JBAELN
C[N@@H+]1CCN2c3ncc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3Cc3ccccc3[C@@H]2C1	ZINC000077300741	569705815	/nfs/dbraw/zinc/70/58/15/569705815.db2.gz	DSOPOPYPJYTAKL-AGPWRLRRSA-N	0	2	457.483	-0.250	10	0	in-vitro	JBAELN