smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])n[n-]1	ZINC000408633427	528755656	/nfs/dbraw/zinc/75/56/56/528755656.db2.gz	YIVAOVPGVUSKPN-XGICHPGQSA-N	-2	3	378.366	2.612	40	5		GFBBHL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000005673205	551098262	/nfs/dbraw/zinc/09/82/62/551098262.db2.gz	JEWFYMJJYIFAGK-ONEGZZNKSA-N	-2	3	398.169	2.833	40	5		GFBBHL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1[O-]	ZINC000409348362	528199758	/nfs/dbraw/zinc/19/97/58/528199758.db2.gz	SQWSSSMQDYHHLE-ARJAWSKDSA-N	-3	3	398.169	2.833	40	5		GFBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])n[n-]1	ZINC000408633128	529744499	/nfs/dbraw/zinc/74/44/99/529744499.db2.gz	WEFCBCLKENSRCN-IZZDOVSWSA-N	-2	3	380.382	2.510	40	5		GFBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)[O-])n[n-]1	ZINC000408631248	528756176	/nfs/dbraw/zinc/75/61/76/528756176.db2.gz	GYIBUGFKOOYMHD-KPKJPENVSA-N	-2	3	394.409	2.900	40	5		GFBBHL
COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1C(=O)[O-]	ZINC000013341237	221265837	/nfs/dbraw/zinc/26/58/37/221265837.db2.gz	IHOMUNXDGBYDSA-UHFFFAOYSA-N	-2	3	386.769	2.756	40	5		GFBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])n[n-]1	ZINC000408631204	528756839	/nfs/dbraw/zinc/75/68/39/528756839.db2.gz	GBMNZMHODLYQAC-IZZDOVSWSA-N	-3	3	380.382	2.597	40	5		GFBBHL
O=C(Nc1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000001669795	570326263	/nfs/dbraw/zinc/32/62/63/570326263.db2.gz	YKEZWGMBLVPRBW-UHFFFAOYSA-N	-2	3	388.357	2.953	40	5		GFBBHL