smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@@H](CO)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000012474538	211389880	/nfs/dbraw/zinc/38/98/80/211389880.db2.gz	DYGOPDPSOSRJDY-KRWDZBQOSA-N	1	2	349.431	2.036	3	5		EEBFLO
CC(C)C[C@@H](CO)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O	ZINC000012474538	211389878	/nfs/dbraw/zinc/38/98/78/211389878.db2.gz	DYGOPDPSOSRJDY-KRWDZBQOSA-N	1	2	349.431	2.036	3	5		EEBFLO
CCOc1cc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OCC	ZINC000023408588	202103364	/nfs/dbraw/zinc/10/33/64/202103364.db2.gz	WJHLCJZOILGIQY-UHFFFAOYSA-N	1	2	339.392	2.136	3	5		EEBFLO
O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCOCC4)[nH+]c3)C2)o1	ZINC000095559161	218437136	/nfs/dbraw/zinc/43/71/36/218437136.db2.gz	ANRBDYBMLVFLGV-AWEZNQCLSA-N	1	2	344.327	2.285	1	5		EEBFLO