smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[NH+](CC(=O)[O-])[C@@H](CCCCNC(=O)CCCCCCCCCCCCCCCS)C(=O)[O-]	ZINC000043763900	554299642	/nfs/dbraw/zinc/29/96/42/554299642.db2.gz	GIASYAZZSODPPA-QFIPXVFZSA-N	-2	2	532.744	4.589	50	30		KJEALL
Cc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4ccc(C)cc4)cc2[N+](=O)[O-])C3=NO)cc1	ZINC000150378600	571466847	/nfs/dbraw/zinc/46/68/47/571466847.db2.gz	RIIKKUNQFVYLJH-UHFFFAOYSA-N	-3	2	623.625	4.928	50	30		KJEALL