smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@](C)(/N=N/C(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000100468988	187290745	/nfs/dbraw/zinc/29/07/45/187290745.db2.gz	WWFGWFOXPLGSBE-PJSNMCHCSA-N	-2	0	230.264	1.801	10	10		BDCERL
CCCc1c(C)nc2c(C(=O)[O-])c[n-]n2c1=O	ZINC000009490674	374139854	/nfs/dbraw/zinc/13/98/54/374139854.db2.gz	MNHDMLHUSYODBO-UHFFFAOYSA-N	-2	0	235.243	1.394	10	10		BDCERL
Cc1nc2c(C(=O)[O-])c[n-]n2c(=O)c1C(C)C	ZINC000100105524	180061250	/nfs/dbraw/zinc/06/12/50/180061250.db2.gz	GMNAGILQWMXYTQ-UHFFFAOYSA-N	-2	0	235.243	1.565	10	10		BDCERL
Cc1ccccc1-n1[n-]c(C(=O)[O-])cc1=O	ZINC000104712974	179297735	/nfs/dbraw/zinc/29/77/35/179297735.db2.gz	AQOIESFAUAWKJP-UHFFFAOYSA-N	-2	0	218.212	1.172	10	10		BDCERL
CC(C)[C@](C)(/N=N/C(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000100468993	384643027	/nfs/dbraw/zinc/64/30/27/384643027.db2.gz	WWFGWFOXPLGSBE-IUZMTQGWSA-N	-2	0	230.264	1.801	10	10		BDCERL
Cc1cccc(-n2[n-]c(C(=O)[O-])cc2=O)c1	ZINC000104712982	179123828	/nfs/dbraw/zinc/12/38/28/179123828.db2.gz	ZPFNRKKBAGJYLB-UHFFFAOYSA-N	-2	0	218.212	1.172	10	10		BDCERL
O=C1c2ccc([O-])cc2C(=O)c2cc([O-])ccc21	ZINC000005844921	384132544	/nfs/dbraw/zinc/13/25/44/384132544.db2.gz	RZTIWMXQXBQJNE-UHFFFAOYSA-N	-2	0	240.214	1.873	10	10	in-vitro	BDCERL