smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(NC=C2C(=O)[N-]C(=S)NC2=O)n1	ZINC000018249726	372755379	/nfs/dbraw/zinc/75/53/79/372755379.db2.gz	YQHPGDFEWXNVPO-UHFFFAOYSA-N	-2	3	279.281	-0.683	50	10		CBCAHL
O=C([O-])Cc1nonc1[N-][N+](=O)c1nonc1CC(=O)[O-]	ZINC000225408446	352248420	/nfs/dbraw/zinc/24/84/20/352248420.db2.gz	JCFOSINMUDJLNT-UHFFFAOYSA-O	-2	3	299.179	-0.476	50	10		CBCAHL
O=S(=O)([O-])c1cc([O-])c(O)c(S(=O)(=O)[O-])c1	ZINC000001532175	351304031	/nfs/dbraw/zinc/30/40/31/351304031.db2.gz	XXAXVMUWHZHZMJ-UHFFFAOYSA-N	-3	3	270.240	-0.409	50	10	endogenous,in-man	CBCAHL
O=C1[N-]N(c2nnn[n-]2)C(=O)C1=Cc1ccccc1	ZINC000334163502	353020642	/nfs/dbraw/zinc/02/06/42/353020642.db2.gz	VDVCBIIEVBIPCL-VURMDHGXSA-N	-2	3	256.225	-0.339	50	10		CBCAHL
O=C1[N-]N(c2nn[n-]n2)C(=O)C1=Cc1ccccc1	ZINC000334163502	353020644	/nfs/dbraw/zinc/02/06/44/353020644.db2.gz	VDVCBIIEVBIPCL-VURMDHGXSA-N	-2	3	256.225	-0.339	50	10		CBCAHL