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(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1	ZINC000008826153	554715412	/nfs/dbraw/zinc/71/54/12/554715412.db2.gz	YGGVXNPFMMJTDB-CYBMUJFWSA-N	0	2	497.507	0.856	50	5		JCBALN
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1	ZINC000008826154	554715417	/nfs/dbraw/zinc/71/54/17/554715417.db2.gz	YGGVXNPFMMJTDB-ZDUSSCGKSA-N	0	2	497.507	0.856	50	5		JCBALN
O=c1[nH]c(=O)n(C(=C(Cl)Br)n2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1[N+](=O)[O-]	ZINC000008934182	554828646	/nfs/dbraw/zinc/82/86/46/554828646.db2.gz	GKJNFEHCZGXDCM-UHFFFAOYSA-N	0	2	451.533	0.110	50	5		JCBALN
COc1c(O)cc2c(=O)oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43	ZINC000036378703	563127384	/nfs/dbraw/zinc/12/73/84/563127384.db2.gz	UDWUZPSSUIWBKB-LAPUEANGSA-N	0	2	462.363	0.031	50	5	biogenic	JCBALN