smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c(=S)[nH]c([O-])c1C(c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000100530769	554410398	/nfs/dbraw/zinc/41/03/98/554410398.db2.gz	CIWDOMQDXGPUOQ-UHFFFAOYSA-N	-2	0	527.540	0.552	50	5		KCBARL
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[O-])CC2)cc1C(N)=O	ZINC000102799111	555072180	/nfs/dbraw/zinc/07/21/80/555072180.db2.gz	TWABQGWFFAEDDR-UHFFFAOYSA-N	-2	0	592.612	0.685	50	5		KCBARL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000106842948	571418413	/nfs/dbraw/zinc/41/84/13/571418413.db2.gz	VXTVKOWKXXPPNE-PZQVQNRFSA-N	-2	0	636.659	0.534	50	5		KCBARL
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000150341031	571458045	/nfs/dbraw/zinc/45/80/45/571458045.db2.gz	YXEIIOVAGGAMCZ-NYMCBPKFSA-N	-2	0	634.643	0.384	50	5		KCBARL