smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O)C(=O)[O-]	ZINC000001702710	357165168	/nfs/dbraw/zinc/16/51/68/357165168.db2.gz	IEBVITXSHAFLJR-VKHMYHEASA-N	-1	0	244.163	-2.143	10	5	in-vitro	BABERM
Cc1nc([N+](=O)[O-])c(S(=O)(=O)CC(N)=O)[n-]1	ZINC000033884033	180029091	/nfs/dbraw/zinc/02/90/91/180029091.db2.gz	CDOYXAOLASGRMY-UHFFFAOYSA-N	-1	0	248.220	-1.115	10	5		BABERM
O=c1[n-]c(=O)n(CCO)cc1[N+](=O)[O-]	ZINC000035940156	360312789	/nfs/dbraw/zinc/31/27/89/360312789.db2.gz	QQKRHWSJVOEMNX-UHFFFAOYSA-N	-1	0	201.138	-1.563	10	5		BABERM
NC(=O)c1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000071974167	181285887	/nfs/dbraw/zinc/28/58/87/181285887.db2.gz	WOOIDGBAWBCOOT-UHFFFAOYSA-N	-1	0	200.110	-1.930	10	5		BABERM
Cn1nc([N+](=O)[O-])nc1N(CC(=O)[O-])[N+](=O)[O-]	ZINC000095116207	644741811	/nfs/dbraw/zinc/74/18/11/644741811.db2.gz	ZXGQBXGQDJVNSL-UHFFFAOYSA-N	-1	0	246.139	-1.194	10	5		BABERM
NC(=O)c1ncn2c1[n-]nc([N+](=O)[O-])c2=O	ZINC000100069550	259345672	/nfs/dbraw/zinc/34/56/72/259345672.db2.gz	UPMXYTFKFBVAEM-UHFFFAOYSA-N	-1	0	224.136	-1.575	10	5		BABERM
CNC(=O)Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O	ZINC000104287274	173283972	/nfs/dbraw/zinc/28/39/72/173283972.db2.gz	XXEGINQSTQNGHG-UHFFFAOYSA-N	-1	0	228.164	-1.809	10	5		BABERM
CN1C[C@@H](O)n2c1c([N+](=O)[O-])c(=O)[n-]c2=O	ZINC000584658690	385772177	/nfs/dbraw/zinc/77/21/77/385772177.db2.gz	KHHXZYFZRWCQTJ-GSVOUGTGSA-N	-1	0	228.164	-1.202	10	5		BABERM
CN1C[C@H](O)n2c1c([N+](=O)[O-])c(=O)[n-]c2=O	ZINC000584658691	385770974	/nfs/dbraw/zinc/77/09/74/385770974.db2.gz	KHHXZYFZRWCQTJ-VKHMYHEASA-N	-1	0	228.164	-1.202	10	5		BABERM