smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(CC(=O)[O-])[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000100140230	193795757	/nfs/dbraw/zinc/79/57/57/193795757.db2.gz	YJHHUMAQRIUURV-GHXNOFRVSA-N	-2	0	317.326	2.306	50	10		DECARL
CCN(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000005092196	181203270	/nfs/dbraw/zinc/20/32/70/181203270.db2.gz	DPLAIBDFXQEGSG-RMKNXTFCSA-N	-2	0	316.317	2.010	50	10		DECARL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1nc(C(=O)[O-])n[nH]1	ZINC000096478244	193663084	/nfs/dbraw/zinc/66/30/84/193663084.db2.gz	YSBXKLAGNUUQJC-BMRADRMJSA-N	-2	0	313.277	2.118	50	10		DECARL
CC(C)(C)N1C(=O)[N-]C(=O)C(=Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000009041896	278340335	/nfs/dbraw/zinc/34/03/35/278340335.db2.gz	GLDAPOWTYAVXFV-DHZHZOJOSA-N	-2	0	316.313	2.485	50	10		DECARL
O=C1C=CC(=NNc2cc(S(=O)(=O)[O-])ccc2O)C([O-])=C1	ZINC000004428463	181109256	/nfs/dbraw/zinc/10/92/56/181109256.db2.gz	NOYGQBBPVKLDQU-BUHFOSPRSA-N	-2	0	310.287	2.466	50	10		DECARL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)[N-]C2=O)o1	ZINC000000072898	401687779	/nfs/dbraw/zinc/68/77/79/401687779.db2.gz	TURBDDXSHZASGX-KPKJPENVSA-N	-2	0	312.281	2.134	50	10		DECARL