smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1n[nH]nc1-c1cc([N+](=O)[O-])ccc1O	ZINC000009434508	304285045	/nfs/dbraw/zinc/28/50/45/304285045.db2.gz	OBXUXJZEERWKJF-UHFFFAOYSA-N	-1	2	250.170	0.784	50	5		CCBALM
O=C([O-])c1c2ccccc2[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000001580880	304218082	/nfs/dbraw/zinc/21/80/82/304218082.db2.gz	QBYSISHGTFQZKT-UHFFFAOYSA-N	-1	2	257.205	0.463	50	5		CCBALM
O=CN[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004673291	169997067	/nfs/dbraw/zinc/99/70/67/169997067.db2.gz	HPCIVXXCNSHKNU-ZETCQYMHSA-N	-1	2	254.198	0.042	50	5		CCBALM
O=C([O-])/C=C/C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000033910539	348148162	/nfs/dbraw/zinc/14/81/62/348148162.db2.gz	JRMQUDSCPXWMBC-ONEGZZNKSA-N	-1	2	252.182	0.880	50	5		CCBALM
O=c1nc2[n-]c3ccc([N+](=O)[O-])cc3nc-2c(=O)[nH]1	ZINC000000297367	388753117	/nfs/dbraw/zinc/75/31/17/388753117.db2.gz	YPGLLOHXTGDELR-UHFFFAOYSA-N	-1	2	259.181	0.480	50	5		CCBALM
O=CN[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000004673292	347998833	/nfs/dbraw/zinc/99/88/33/347998833.db2.gz	HPCIVXXCNSHKNU-SSDOTTSWSA-N	-1	2	254.198	0.042	50	5		CCBALM
O=C([O-])/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000116540	347939143	/nfs/dbraw/zinc/93/91/43/347939143.db2.gz	XSYPPKQCIDTBGR-ONEGZZNKSA-N	-1	2	252.182	0.880	50	5		CCBALM