smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c3cccnc3c2[O-])c([O-])c2ncccc12	ZINC000001717575	560184338	/nfs/dbraw/zinc/18/43/38/560184338.db2.gz	IDLYRQLIMDZRHY-UHFFFAOYSA-N	-2	0	392.327	3.601	40	5	in-vitro	GHBBRL
O=c1[n-]c(C=Cc2ccc(OCc3ccc(F)cc3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409347381	231193975	/nfs/dbraw/zinc/19/39/75/231193975.db2.gz	PUTUDPATCBTDOV-BJMVGYQFSA-N	-2	0	383.335	3.685	40	5		GHBBRL
Cc1noc(/C=C\c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)c1[N+](=O)[O-]	ZINC000408544927	231055811	/nfs/dbraw/zinc/05/58/11/231055811.db2.gz	WCRITVXKKYOIRH-HYXAFXHYSA-N	-2	0	384.300	3.718	40	5		GHBBRL
O=c1[n-]c(C=Cc2ccccc2OCc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409348279	231193949	/nfs/dbraw/zinc/19/39/49/231193949.db2.gz	RWNNXAGBPXLTQQ-JXMROGBWSA-N	-2	0	383.335	3.685	40	5		GHBBRL
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409335115	231192007	/nfs/dbraw/zinc/19/20/07/231192007.db2.gz	YVXLLDRXJDDMND-YFHOEESVSA-N	-2	0	383.335	3.685	40	5		GHBBRL
O=c1[n-]c(C=Cc2cccc(OCc3ccccc3F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409340348	231192636	/nfs/dbraw/zinc/19/26/36/231192636.db2.gz	VQUJYICADCMDOE-HJWRWDBZSA-N	-2	0	383.335	3.685	40	5		GHBBRL
O=c1[n-]c(C=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234768	857570361	/nfs/dbraw/zinc/57/03/61/857570361.db2.gz	YKRRCSOQGXOKKP-RMKNXTFCSA-N	-2	0	399.790	3.787	40	5		GHBBRL
O=c1[n-]c(C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009234829	850967206	/nfs/dbraw/zinc/96/72/06/850967206.db2.gz	XHZJVJCNSYSOOK-FNORWQNLSA-N	-2	0	393.277	3.833	40	5		GHBBRL
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c1O	ZINC000211512113	570966341	/nfs/dbraw/zinc/96/63/41/570966341.db2.gz	COXAUFWCRMGKNT-VGOFMYFVSA-N	-2	0	388.357	3.668	40	5		GHBBRL
Cc1cccc([N-]c2nc([N-]c3cccc(C)n3)c([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000006443609	570423488	/nfs/dbraw/zinc/42/34/88/570423488.db2.gz	ISDJZWLQRSVZMP-UHFFFAOYSA-N	-2	0	381.352	3.792	40	5		GHBBRL
Cc1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc([N+](=O)[O-])c1C	ZINC000409338944	231192159	/nfs/dbraw/zinc/19/21/59/231192159.db2.gz	QZERJGRYSUAYJW-XQRVVYSFSA-N	-2	0	398.331	3.751	40	5		GHBBRL
O=c1[n-]c(C=Cc2cccc(OCc3ccc(F)cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352042	231194492	/nfs/dbraw/zinc/19/44/92/231194492.db2.gz	VVVCYUWMOJUODD-TWGQIWQCSA-N	-2	0	383.335	3.685	40	5		GHBBRL
CCCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000409345665	528657396	/nfs/dbraw/zinc/65/73/96/528657396.db2.gz	ISNNWHUODLYARS-VQHVLOKHSA-N	-2	0	375.381	3.544	40	5		GHBBRL