smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000102670062	560819572	/nfs/dbraw/zinc/81/95/72/560819572.db2.gz	OGIFDMFFZYYRRY-GOSISDBHSA-N	-2	3	418.409	4.406	50	5		HIBAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(C(=O)[O-])cc1	ZINC000085879757	569009848	/nfs/dbraw/zinc/00/98/48/569009848.db2.gz	UALNKVFYMZBSPF-UHFFFAOYSA-N	-2	3	403.394	4.276	50	5		HIBAHL
CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)n2)c1[O-]	ZINC000044859672	521313539	/nfs/dbraw/zinc/31/35/39/521313539.db2.gz	HXWAEJWQUVLIJI-UHFFFAOYSA-N	-2	3	420.381	4.003	50	5		HIBAHL
Cc1nc(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000470246050	884579071	/nfs/dbraw/zinc/57/90/71/884579071.db2.gz	FLWATQUTRHVHBC-TWGQIWQCSA-N	-2	3	411.439	4.315	50	5		HIBAHL
O=[N+]([O-])c1cc2oc3ccc([O-])c(Br)c3c2c(Br)c1[O-]	ZINC000019878390	568436274	/nfs/dbraw/zinc/43/62/74/568436274.db2.gz	SOAGSHYMSCIZHJ-UHFFFAOYSA-N	-2	3	402.982	4.430	50	5		HIBAHL
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000102670060	560819564	/nfs/dbraw/zinc/81/95/64/560819564.db2.gz	OGIFDMFFZYYRRY-SFHVURJKSA-N	-2	3	418.409	4.406	50	5		HIBAHL
CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc([N+](=O)[O-])c3)n2)c1[O-]	ZINC000020492254	521311569	/nfs/dbraw/zinc/31/15/69/521311569.db2.gz	OFDGMCYPEACGQI-UHFFFAOYSA-N	-2	3	420.381	4.003	50	5		HIBAHL