smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](C(=O)[O-])c1cc(Cl)c(O)c(Cl)c1	ZINC000034581759	344080666	/nfs/dbraw/zinc/08/06/66/344080666.db2.gz	XNKWTOZWDSBIST-ZCFIWIBFSA-N	-2	2	236.054	1.783	40	0		BDABLL
CC1(C)C(C(=O)[O-])(C(=O)O)CC[C@]1(C)C(=O)[O-]	ZINC000085398731	385165968	/nfs/dbraw/zinc/16/59/68/385165968.db2.gz	UCIOQQGFUCQENM-SNVBAGLBSA-N	-2	2	244.243	1.053	40	0		BDABLL
CC1(C)C(C(=O)[O-])(C(=O)O)CC[C@@]1(C)C(=O)[O-]	ZINC000085398734	385164174	/nfs/dbraw/zinc/16/41/74/385164174.db2.gz	UCIOQQGFUCQENM-JTQLQIEISA-N	-2	2	244.243	1.053	40	0		BDABLL
CSC(SC)=C(C(=O)[O-])[P@@](=O)([O-])O	ZINC000001642564	383915825	/nfs/dbraw/zinc/91/58/25/383915825.db2.gz	AIYQPHFFVMHKNV-UHFFFAOYSA-N	-2	2	244.230	1.144	40	0		BDABLL
CSC(SC)=C(C(=O)[O-])[P@](=O)([O-])O	ZINC000001642564	383915831	/nfs/dbraw/zinc/91/58/31/383915831.db2.gz	AIYQPHFFVMHKNV-UHFFFAOYSA-N	-2	2	244.230	1.144	40	0		BDABLL