smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1ncc(S(=O)(=O)[N-]c2cc(Cl)c(O)c(Cl)c2)c1F	ZINC000253401574	509877223	/nfs/dbraw/zinc/87/72/23/509877223.db2.gz	NHXFJAWONJZGTK-UHFFFAOYSA-N	-1	2	354.190	2.855	40	10		FFCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1	ZINC000408942276	513095892	/nfs/dbraw/zinc/09/58/92/513095892.db2.gz	YUBALRZAPWZBNW-NTEUORMPSA-N	-1	2	370.748	2.705	40	10		FFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C	ZINC000408852816	513095004	/nfs/dbraw/zinc/09/50/04/513095004.db2.gz	IPMCQJMQWZHPIP-MHWRWJLKSA-N	-1	2	364.357	2.668	40	10		FFCBLM
O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=S	ZINC000409340587	513100632	/nfs/dbraw/zinc/10/06/32/513100632.db2.gz	ZRYIKHQUQLFMRR-FPYGCLRLSA-N	-1	2	364.231	2.985	40	10		FFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408989960	513096445	/nfs/dbraw/zinc/09/64/45/513096445.db2.gz	VTGFXZHGHGBWIW-WJDWOHSUSA-N	-1	2	364.357	2.614	40	10		FFCBLM