smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)cc1	ZINC001254469988	1067380612	/nfs/dbraw/zinc/38/06/12/1067380612.db2.gz	DTQXPRGWMCCQSW-HHARLNAUSA-N	-1	3	463.465	-1.220	20	5		JABDHM
O=[N+]([O-])c1ccc(N2CCC(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)cc1	ZINC001254469995	1067380696	/nfs/dbraw/zinc/38/06/96/1067380696.db2.gz	DTQXPRGWMCCQSW-WRQOLXDDSA-N	-1	3	463.465	-1.220	20	5		JABDHM
COc1cc(N2CCC(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC001256089434	1067382100	/nfs/dbraw/zinc/38/21/00/1067382100.db2.gz	UGZXJJBZUAHFLT-DUQPFJRNSA-N	-1	3	493.491	-1.211	20	5		JABDHM
COc1cc(N2CCC(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)ccc1[N+](=O)[O-]	ZINC001256089435	1067381984	/nfs/dbraw/zinc/38/19/84/1067381984.db2.gz	UGZXJJBZUAHFLT-ZKXLYKBJSA-N	-1	3	493.491	-1.211	20	5		JABDHM