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-])CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000398243513	337309479	/nfs/dbraw/zinc/30/94/79/337309479.db2.gz	GVNPJBHPEZTDSP-UHFFFAOYSA-N	-2	3	300.292	0.880	10	5		DCBEHL
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000021021271	182261692	/nfs/dbraw/zinc/26/16/92/182261692.db2.gz	LOWPOQHIWZRGEE-YFKPBYRVSA-N	-2	3	308.699	1.000	10	5		DCBEHL
O=[N+]([O-])c1ccc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1	ZINC000117317263	395852195	/nfs/dbraw/zinc/85/21/95/395852195.db2.gz	URDYXXQISDKARR-UHFFFAOYSA-N	-4	3	311.123	0.819	10	5		DCBEHL
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000021021263	182261534	/nfs/dbraw/zinc/26/15/34/182261534.db2.gz	LOWPOQHIWZRGEE-RXMQYKEDSA-N	-2	3	308.699	1.000	10	5		DCBEHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O	ZINC000035346811	182771738	/nfs/dbraw/zinc/77/17/38/182771738.db2.gz	CXHSHOQQHBNIAX-VXNVDRBHSA-N	-2	3	318.307	0.016	10	5		DCBEHL
O=C([O-])CCC[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000019232524	182110245	/nfs/dbraw/zinc/11/02/45/182110245.db2.gz	BHGSURFXJQBUFF-UHFFFAOYSA-N	-2	3	306.271	0.877	10	5		DCBEHL
CC(=O)N[C@@H](CSc1cc[n-]c(=O)c1[N+](=O)[O-])C(=O)[O-]	ZINC000695454246	976797586	/nfs/dbraw/zinc/79/75/86/976797586.db2.gz	UCGIWUZETPZBQY-LURJTMIESA-N	-2	3	301.280	0.377	10	5		DCBEHL