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)OC(=O)N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000039614489	213240934	/nfs/dbraw/zinc/24/09/34/213240934.db2.gz	WKOHDYUJJUVBQB-SECBINFHSA-N	-1	2	326.305	1.821	10	5		EDBELM
O=[N+]([O-])c1n[nH]c([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000097965963	441147497	/nfs/dbraw/zinc/14/74/97/441147497.db2.gz	XSLFPKNPAHZOHL-UHFFFAOYSA-N	-1	2	340.168	1.181	10	5		EDBELM
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nn(-c2ccccc2)c(=O)[n-]1	ZINC000071528486	203098259	/nfs/dbraw/zinc/09/82/59/203098259.db2.gz	NKYLXNDOXYZMQL-UHFFFAOYSA-N	-1	2	341.283	1.839	10	5		EDBELM
O=C([O-])CS(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000037048844	213131145	/nfs/dbraw/zinc/13/11/45/213131145.db2.gz	WCWMZJRSHYPWPX-UHFFFAOYSA-N	-1	2	339.123	1.184	10	5		EDBELM