smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000017299131	560707497	/nfs/dbraw/zinc/70/74/97/560707497.db2.gz	GHBWBMDGBCKAQU-UPHRSURJSA-N	-2	0	400.390	1.841	40	5		HDBBRL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497028	560851833	/nfs/dbraw/zinc/85/18/33/560851833.db2.gz	HQTBMWNSTCRTFD-RDJZCZTQSA-N	-2	0	423.341	1.826	40	5		HDBBRL
O=C([O-])COc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000009234815	569392006	/nfs/dbraw/zinc/39/20/06/569392006.db2.gz	OAXNZKDPBZMNPR-DAFODLJHSA-N	-2	0	412.152	1.780	40	5		HDBBRL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497014	560851815	/nfs/dbraw/zinc/85/18/15/560851815.db2.gz	HQTBMWNSTCRTFD-NVXWUHKLSA-N	-2	0	423.341	1.826	40	5		HDBBRL
COc1ccc(NC(=O)C(=O)c2c([O-])c3ccc([O-])cc3oc2=O)c([N+](=O)[O-])c1	ZINC000005824123	557676450	/nfs/dbraw/zinc/67/64/50/557676450.db2.gz	UCKDPASPZJIABB-UHFFFAOYSA-N	-2	0	400.299	1.942	40	5		HDBBRL
COc1cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073258768	568771215	/nfs/dbraw/zinc/77/12/15/568771215.db2.gz	XNNIMJUKXQWTMP-UHFFFAOYSA-N	-2	0	402.406	1.959	40	5		HDBBRL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497019	560851796	/nfs/dbraw/zinc/85/17/96/560851796.db2.gz	HQTBMWNSTCRTFD-WBVHZDCISA-N	-2	0	423.341	1.826	40	5		HDBBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c1	ZINC000030843432	568895233	/nfs/dbraw/zinc/89/52/33/568895233.db2.gz	KYCKAUTVNACJRC-IWQZZHSRSA-N	-3	0	413.298	1.798	40	5		HDBBRL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497022	560851803	/nfs/dbraw/zinc/85/18/03/560851803.db2.gz	HQTBMWNSTCRTFD-DOTOQJQBSA-N	-2	0	423.341	1.826	40	5		HDBBRL