smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc2c(c1)[o+]c1cc(N(CC)CC)ccc1c2-c1ccc2c(nnn2C)c1C(=O)[O-]	ZINC000038852639	520925125	/nfs/dbraw/zinc/92/51/25/520925125.db2.gz	AAMLXWSFNKOTDW-UHFFFAOYSA-O	-1	0	498.607	4.843	10	5		JJBERM
O=[N+]([O-])c1ccc([O-])c(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1	ZINC000043888124	563171267	/nfs/dbraw/zinc/17/12/67/563171267.db2.gz	QGPCKPZYOUWFEZ-UHFFFAOYSA-N	-1	0	495.316	4.503	10	5		JJBERM
Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1	ZINC000003775973	562927725	/nfs/dbraw/zinc/92/77/25/562927725.db2.gz	VGBBXLWOWUXXFE-GWLGBLMRSA-N	-1	0	470.522	4.997	10	5	investigational	JJBERM
CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)nc1ccc(C)cc1c2SCC(=O)[O-]	ZINC000013764510	520787694	/nfs/dbraw/zinc/78/76/94/520787694.db2.gz	WIWXCSZWJSSJEO-UHFFFAOYSA-N	-1	0	452.985	4.557	10	5		JJBERM
O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c32)C(=O)N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000020508225	527126020	/nfs/dbraw/zinc/12/60/20/527126020.db2.gz	DOMCCIPBQCVBBW-UHFFFAOYSA-N	-1	0	471.381	4.955	10	5		JJBERM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000035112205	569675108	/nfs/dbraw/zinc/67/51/08/569675108.db2.gz	YRYXBJSINXOFKS-AREMUKBSSA-N	-1	0	492.575	4.835	10	5	in-vitro	JJBERM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Nc2ncccc2[N+](=O)[O-])cc1	ZINC000012643646	195072668	/nfs/dbraw/zinc/07/26/68/195072668.db2.gz	NMZVOYZNGNRNCZ-UHFFFAOYSA-N	-1	0	493.339	4.695	10	5		JJBERM