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-])c1ccccc1-c1ccc([O-])cc1	ZINC000002512539	371144284	/nfs/dbraw/zinc/14/42/84/371144284.db2.gz	NRRCMTITSCFYOH-UHFFFAOYSA-N	-1	3	215.208	2.967	50	5		BFBAHM
CN(C)/C=C\c1oc2ccc([O-])cc2c1[N+](=O)[O-]	ZINC000103852801	410916594	/nfs/dbraw/zinc/91/65/94/410916594.db2.gz	XEULJPQFOBUHGA-WAYWQWQTSA-N	-1	3	248.238	2.579	50	5		BFBAHM
Cn1ncc2cc3oc4cc([O-])ccc4c3nc21	ZINC000252488505	410466174	/nfs/dbraw/zinc/46/61/74/410466174.db2.gz	ITKBVGIWBKMDCX-UHFFFAOYSA-N	-1	3	239.234	2.573	50	5		BFBAHM
Cc1c([O-])ccc2c3ccccc3c(=O)oc12	ZINC000005921519	342771526	/nfs/dbraw/zinc/77/15/26/342771526.db2.gz	LAVHXGNOROFSCU-UHFFFAOYSA-N	-1	3	226.231	2.960	50	5	biogenic,in-vivo	BFBAHM
O=[N+]([O-])c1cc([O-])cc(NCc2ccccc2)c1	ZINC000261494068	384333127	/nfs/dbraw/zinc/33/31/27/384333127.db2.gz	PBRKFBWVWAWIFO-UHFFFAOYSA-N	-1	3	244.250	2.913	50	5		BFBAHM
O=[N+]([O-])c1ccccc1-c1ccccc1[O-]	ZINC000000333787	344701563	/nfs/dbraw/zinc/70/15/63/344701563.db2.gz	CQKJEXNLVJBTRT-UHFFFAOYSA-N	-1	3	215.208	2.967	50	5		BFBAHM
O=[N+]([O-])c1cc(Cl)cc2n[n-]c(Cl)c21	ZINC000014984754	350228868	/nfs/dbraw/zinc/22/88/68/350228868.db2.gz	XIWKZNOAASZIJT-UHFFFAOYSA-N	-1	3	232.026	2.778	50	5		BFBAHM
O=[N+]([O-])c1cc(Cl)cc2[n-]nc(Cl)c21	ZINC000014984754	350228870	/nfs/dbraw/zinc/22/88/70/350228870.db2.gz	XIWKZNOAASZIJT-UHFFFAOYSA-N	-1	3	232.026	2.778	50	5		BFBAHM
CCCCN(C)Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000016662670	360181057	/nfs/dbraw/zinc/18/10/57/360181057.db2.gz	FFCIFZQKZCQDAQ-UHFFFAOYSA-N	-1	3	238.287	2.532	50	5		BFBAHM
O=c1c2ccccc2c2nc3ccccc3[n-]cc1-2	ZINC000101416135	410771523	/nfs/dbraw/zinc/77/15/23/410771523.db2.gz	XTAPMRJNJXIHNF-UHFFFAOYSA-N	-1	3	246.269	2.801	50	5		BFBAHM
O=[N+]([O-])c1ccc(/C=C/c2ccc([O-])cc2)nc1	ZINC000084503338	384725018	/nfs/dbraw/zinc/72/50/18/384725018.db2.gz	RUDOFTPFNCTQTJ-DAFODLJHSA-N	-1	3	242.234	2.866	50	5		BFBAHM
CN(C)/C=C/c1oc2ccc([O-])cc2c1[N+](=O)[O-]	ZINC000059925553	172351152	/nfs/dbraw/zinc/35/11/52/172351152.db2.gz	XEULJPQFOBUHGA-AATRIKPKSA-N	-1	3	248.238	2.579	50	5		BFBAHM
Cc1cc([N+](=O)[O-])cc(C(C)(C)C)c1[O-]	ZINC000019801424	178270177	/nfs/dbraw/zinc/27/01/77/178270177.db2.gz	NRKMKBXQEOBAKP-UHFFFAOYSA-N	-1	3	209.245	2.906	50	5		BFBAHM