smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1[N+](=O)[O-]	ZINC000016978374	569169120	/nfs/dbraw/zinc/16/91/20/569169120.db2.gz	KWHHHXDUIKSMBM-UHFFFAOYSA-N	-2	1	448.482	2.900	40	5		IFBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1O	ZINC000409335771	556636917	/nfs/dbraw/zinc/63/69/17/556636917.db2.gz	ZJPWGIVPDDCZED-ARJAWSKDSA-N	-2	1	445.169	2.675	40	5		IFBBML
COc1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000409348287	557076221	/nfs/dbraw/zinc/07/62/21/557076221.db2.gz	RZQDWLRNQHLRMF-DHZHZOJOSA-N	-2	1	438.396	2.993	40	5		IFBBML
CCOC(=O)COc1c(Cl)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000409347496	557075635	/nfs/dbraw/zinc/07/56/35/557075635.db2.gz	PZNHBSSTYTUCEG-SNAWJCMRSA-N	-2	1	425.781	2.570	40	5		IFBBML
Cc1n[nH]c(SC(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000409188575	556988599	/nfs/dbraw/zinc/98/85/99/556988599.db2.gz	DSWRCSFFIMMHHC-WTKPLQERSA-N	-2	1	448.198	2.549	40	5		IFBBML
Cc1nc(SC(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000409188575	556988602	/nfs/dbraw/zinc/98/86/02/556988602.db2.gz	DSWRCSFFIMMHHC-WTKPLQERSA-N	-2	1	448.198	2.549	40	5		IFBBML
COc1cccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)c1	ZINC000408608351	557421670	/nfs/dbraw/zinc/42/16/70/557421670.db2.gz	VZCGKLLXYRFGIZ-JXMROGBWSA-N	-2	1	438.396	2.993	40	5		IFBBML