smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CC(C)(C(=O)[O-])C(=O)O)C(=O)[O-]	ZINC000140062085	345851080	/nfs/dbraw/zinc/85/10/80/345851080.db2.gz	GKJYHTGGXDEYSU-SCSAIBSYSA-N	-2	2	204.178	0.273	10	0		BCAELL
CCCCNC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005973505	581099131	/nfs/dbraw/zinc/09/91/31/581099131.db2.gz	AEDPOTDCAAOODK-UHFFFAOYSA-N	-2	2	247.124	0.015	10	0		BCAELL
CCCCNC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000005973505	581099132	/nfs/dbraw/zinc/09/91/32/581099132.db2.gz	AEDPOTDCAAOODK-UHFFFAOYSA-N	-2	2	247.124	0.015	10	0		BCAELL
C[C@@H](CC(C)(C(=O)[O-])C(=O)O)C(=O)[O-]	ZINC000140061934	353109237	/nfs/dbraw/zinc/10/92/37/353109237.db2.gz	GKJYHTGGXDEYSU-BYPYZUCNSA-N	-2	2	204.178	0.273	10	0		BCAELL
CC(C)(C(C)(C)[P@@](=O)([O-])O)P(=O)([O-])O	ZINC000198782563	491096618	/nfs/dbraw/zinc/09/66/18/491096618.db2.gz	UUXWYNSHIJMYKN-UHFFFAOYSA-N	-2	2	246.136	0.899	10	0		BCAELL
CC(C)(C(C)(C)[P@](=O)([O-])O)P(=O)([O-])O	ZINC000198782563	491096619	/nfs/dbraw/zinc/09/66/19/491096619.db2.gz	UUXWYNSHIJMYKN-UHFFFAOYSA-N	-2	2	246.136	0.899	10	0		BCAELL
COc1cc(C(=O)[O-])c(C(=O)O)c(C(=O)[O-])c1	ZINC000220719221	344354843	/nfs/dbraw/zinc/35/48/43/344354843.db2.gz	CJKJAAODJKVPGV-UHFFFAOYSA-N	-2	2	240.167	0.790	10	0		BCAELL