smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC1C(=O)NC(=O)N(OS(=O)(=O)[O-])[C@H]1[NH3+]	ZINC000086863323	181337902	/nfs/dbraw/zinc/33/79/02/181337902.db2.gz	BIRATDJMXNKGMN-UWTATZPHSA-N	0	2	240.197	-2.283	2	30		BAEFLN
NC1=C(N)[C@@H](O)N(OS(=O)(=O)[O-])C(=[NH2+])N1	ZINC000100496574	527137784	/nfs/dbraw/zinc/13/77/84/527137784.db2.gz	SXBGFIBJPWPFRU-GSVOUGTGSA-N	0	2	239.213	-3.244	2	30		BAEFLN
NC1=C(N)[C@H](O)N(OS(=O)(=O)[O-])C(=[NH2+])N1	ZINC000100496575	527137242	/nfs/dbraw/zinc/13/72/42/527137242.db2.gz	SXBGFIBJPWPFRU-VKHMYHEASA-N	0	2	239.213	-3.244	2	30		BAEFLN
NC1C(=O)NC(=O)N(OS(=O)(=O)[O-])[C@@H]1[NH3+]	ZINC000100504665	181338401	/nfs/dbraw/zinc/33/84/01/181338401.db2.gz	BIRATDJMXNKGMN-REOHCLBHSA-N	0	2	240.197	-2.079	2	30		BAEFLN
CN(CCO)C(=[NH2+])NO[P@](=O)([O-])O	ZINC000205465657	348526121	/nfs/dbraw/zinc/52/61/21/348526121.db2.gz	KXOMTWKIJNUMOX-UHFFFAOYSA-N	0	2	213.130	-1.751	2	30		BAEFLN
CN(CCO)C(=[NH2+])NO[P@@](=O)([O-])O	ZINC000205465657	348526117	/nfs/dbraw/zinc/52/61/17/348526117.db2.gz	KXOMTWKIJNUMOX-UHFFFAOYSA-N	0	2	213.130	-1.751	2	30		BAEFLN
NC1=CC=C[C@H]([NH3+])N1OS(=O)(=O)[O-]	ZINC000205468538	348527956	/nfs/dbraw/zinc/52/79/56/348527956.db2.gz	TVBJHVSIXKFWSU-SCSAIBSYSA-N	0	2	207.211	-1.323	2	30		BAEFLN
NC1=CC=C[C@@H]([NH3+])N1OS(=O)(=O)[O-]	ZINC000205468555	388585162	/nfs/dbraw/zinc/58/51/62/388585162.db2.gz	TVBJHVSIXKFWSU-BYPYZUCNSA-N	0	2	207.211	-1.323	2	30		BAEFLN
NC1=NC(=O)C[C@@H]([NH3+])N1OS(=O)(=O)[O-]	ZINC000205479995	388585171	/nfs/dbraw/zinc/58/51/71/388585171.db2.gz	ULFHDTFYISXAQN-REOHCLBHSA-N	0	2	224.198	-1.965	2	30		BAEFLN