smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)[O-]	ZINC000100297077	563591780	/nfs/dbraw/zinc/59/17/80/563591780.db2.gz	CPCXVNGEMJXITC-VHEBQXMUSA-N	-2	0	322.324	4.000	40	10		DHCBRL
CC1=CC(=NNc2ccc(C(=O)[O-])cc2)C=C(C(=O)[O-])C1=O	ZINC000070462714	563813107	/nfs/dbraw/zinc/81/31/07/563813107.db2.gz	DCFKIQNDSCQESS-WUKNDPDISA-N	-2	0	300.270	3.512	40	10		DHCBRL
CN(C)c1ccc(/N=N/c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000005737783	181279449	/nfs/dbraw/zinc/27/94/49/181279449.db2.gz	DIOQLHNBZFGXRP-ISLYRVAYSA-N	-2	0	313.313	3.564	40	10		DHCBRL
CC1=CC(=NNc2cccc(C(=O)[O-])c2)C=C(C(=O)[O-])C1=O	ZINC000070462720	190899766	/nfs/dbraw/zinc/89/97/66/190899766.db2.gz	AKJCQYRKOFRGOD-WUKNDPDISA-N	-2	0	300.270	3.512	40	10		DHCBRL
CC1=CC(=NNc2ccccc2C(=O)[O-])C=C(C(=O)[O-])C1=O	ZINC000070462727	190900016	/nfs/dbraw/zinc/90/00/16/190900016.db2.gz	YHGKGCZZBAQCEO-WUKNDPDISA-N	-2	0	300.270	3.512	40	10		DHCBRL