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(/C=C\c2ccc3ccccc3n2)ccc1O	ZINC000096766148	185112464	/nfs/dbraw/zinc/11/24/64/185112464.db2.gz	ZLIZPPLWZIPTMS-YVMONPNESA-N	0	2	292.294	4.019	50	5		CIBALN
O=[N+]([O-])c1cc(/C=C/c2nc3ccccc3s2)ccc1O	ZINC000034889270	570326194	/nfs/dbraw/zinc/32/61/94/570326194.db2.gz	GCFWGJPCAFDLMA-SOFGYWHQSA-N	0	2	298.323	4.081	50	5		CIBALN
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)cc1O	ZINC000035571895	172268212	/nfs/dbraw/zinc/26/82/12/172268212.db2.gz	NXAGXBPBECCSSW-UHFFFAOYSA-N	0	2	281.720	4.105	50	5		CIBALN
COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2Cl)cc1	ZINC000044123652	175143755	/nfs/dbraw/zinc/14/37/55/175143755.db2.gz	OIORJNDYSVUQSL-UHFFFAOYSA-N	0	2	293.706	4.358	50	5		CIBALN
O=c1ccc2c(-c3ccccc3)c3ccc(O)cc3oc-2c1	ZINC000004344383	567047070	/nfs/dbraw/zinc/04/70/70/567047070.db2.gz	IRUMWXSHFZXEDQ-UHFFFAOYSA-N	0	2	288.302	4.270	50	5		CIBALN
CC(=O)C=C(O)c1c2ccccc2cc2ccccc21	ZINC000100075257	567912055	/nfs/dbraw/zinc/91/20/55/567912055.db2.gz	HEGRMYBTNIGYIV-UHFFFAOYSA-N	0	2	262.308	4.155	50	5		CIBALN