smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[n-]c(=S)c12	ZINC000005004672	181188980	/nfs/dbraw/zinc/18/89/80/181188980.db2.gz	WRXVRCULZORFRM-YLJFRXORSA-N	-1	1	308.319	-0.797	40	30		DBEBMM
O=C([O-])c1ccc(NN=C2C(=O)NC(=S)NC2=O)cc1O	ZINC000408731662	374296539	/nfs/dbraw/zinc/29/65/39/374296539.db2.gz	OOHYQTDBFNHJTD-UHFFFAOYSA-N	-1	1	308.275	-0.611	40	30		DBEBMM
N#Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc[n-]c(=S)c12	ZINC000017428545	381158261	/nfs/dbraw/zinc/15/82/61/381158261.db2.gz	WRXVRCULZORFRM-CIPNSKCISA-N	-1	1	308.319	-0.797	40	30		DBEBMM
N#Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc[n-]c(=S)c12	ZINC000017428537	381158478	/nfs/dbraw/zinc/15/84/78/381158478.db2.gz	WRXVRCULZORFRM-UKHPNBTGSA-N	-1	1	308.319	-0.797	40	30		DBEBMM
O=C([O-])CCC(=O)C1S(=O)(=O)OCCOS1(=O)=O	ZINC000100133568	304045819	/nfs/dbraw/zinc/04/58/19/304045819.db2.gz	NTIJLEYEJKRHEJ-UHFFFAOYSA-N	-1	1	302.282	-0.715	40	30	in-vitro	DBEBMM
N#Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[n-]c(=S)c12	ZINC000005004671	181188813	/nfs/dbraw/zinc/18/88/13/181188813.db2.gz	WRXVRCULZORFRM-YWZCALJYSA-N	-1	1	308.319	-0.797	40	30		DBEBMM