smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[N-]S(=O)(=O)NC(=O)c2ccc(C)cc2)cc1	ZINC000028294070	472221307	/nfs/dbraw/zinc/22/13/07/472221307.db2.gz	CJDHNQQABIQXQL-UHFFFAOYSA-N	-1	2	332.381	2.858	40	30		EFEBLM
C[C@@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1)C(=O)[O-]	ZINC000059248685	472623135	/nfs/dbraw/zinc/62/31/35/472623135.db2.gz	HFLMISIPAWJDDC-IYPWXLATSA-N	-1	2	330.296	2.903	40	30		EFEBLM
[O-]/N=C1\CC/C(=N\O)c2nn(-c3ccc(Cl)cc3Cl)nc21	ZINC000100639716	303517094	/nfs/dbraw/zinc/51/70/94/303517094.db2.gz	SWHTVRNGLVFMQL-YPOGWSRFSA-N	-1	2	326.143	2.725	40	30		EFEBLM
C[C@H](Oc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1)C(=O)[O-]	ZINC000059248683	472622449	/nfs/dbraw/zinc/62/24/49/472622449.db2.gz	HFLMISIPAWJDDC-VJCPFXPRSA-N	-1	2	330.296	2.903	40	30		EFEBLM
N=c1[n-]nc(-c2cccc(/N=C/c3cc([N+](=O)[O-])ccc3O)c2)s1	ZINC000408718304	476972296	/nfs/dbraw/zinc/97/22/96/476972296.db2.gz	RAMRFMURHPZHAW-CAOOACKPSA-N	-1	2	341.352	2.982	40	30		EFEBLM
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000008703995	527617819	/nfs/dbraw/zinc/61/78/19/527617819.db2.gz	JJHDNEDNEKFBML-LREOWRDNSA-N	-1	2	343.291	2.660	40	30		EFEBLM