smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)C(O)(Cc1cccnc1)[P@@](=O)([O-])O	ZINC000001531009	351303717	/nfs/dbraw/zinc/30/37/17/351303717.db2.gz	IIDJRNMFWXDHID-UHFFFAOYSA-N	-2	2	283.113	-0.374	50	0	fda	CBAALL
O=P([O-])(O)C(O)(Cc1cccnc1)[P@](=O)([O-])O	ZINC000001531009	351303725	/nfs/dbraw/zinc/30/37/25/351303725.db2.gz	IIDJRNMFWXDHID-UHFFFAOYSA-N	-2	2	283.113	-0.374	50	0	fda	CBAALL
O=P([O-])(O)CP(=O)([O-])C[P@](=O)([O-])O	ZINC000020101092	351353153	/nfs/dbraw/zinc/35/31/53/351353153.db2.gz	PQIDUOAVCWPOLB-UHFFFAOYSA-N	-3	2	254.008	-0.473	50	0		CBAALL
O=P([O-])(O)CP(=O)([O-])C[P@@](=O)([O-])O	ZINC000020101092	351353164	/nfs/dbraw/zinc/35/31/64/351353164.db2.gz	PQIDUOAVCWPOLB-UHFFFAOYSA-N	-3	2	254.008	-0.473	50	0		CBAALL
O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])[nH+]c1C(=O)[O-]	ZINC000003120959	304223488	/nfs/dbraw/zinc/22/34/88/304223488.db2.gz	JRDBISOHUUQXHE-UHFFFAOYSA-N	-3	2	255.138	-0.126	50	0		CBAALL
O=P([O-])(O)C(O)(Cc1ccccn1)[P@@](=O)([O-])O	ZINC000005940604	170159149	/nfs/dbraw/zinc/15/91/49/170159149.db2.gz	XXNASZAYANFLID-UHFFFAOYSA-N	-2	2	283.113	-0.374	50	0	in-vitro	CBAALL
O=P([O-])(O)C(O)(Cc1ccccn1)[P@](=O)([O-])O	ZINC000005940604	170159151	/nfs/dbraw/zinc/15/91/51/170159151.db2.gz	XXNASZAYANFLID-UHFFFAOYSA-N	-2	2	283.113	-0.374	50	0	in-vitro	CBAALL
Cn1nnc(NS(=O)(=O)c2ccc(O)cc2)n1	ZINC000127417735	544457446	/nfs/dbraw/zinc/45/74/46/544457446.db2.gz	SODAIHKMHGLXBQ-UHFFFAOYSA-N	-2	2	255.259	-0.284	50	0		CBAALL
O=P([O-])(O)OP(=O)([O-])O[P@](=O)([O-])O	ZINC000006827739	574412758	/nfs/dbraw/zinc/41/27/58/574412758.db2.gz	UNXRWKVEANCORM-UHFFFAOYSA-N	-3	2	257.952	-0.695	50	0	endogenous,in-vivo	CBAALL
O=P([O-])(O)OP(=O)([O-])O[P@@](=O)([O-])O	ZINC000006827739	574412759	/nfs/dbraw/zinc/41/27/59/574412759.db2.gz	UNXRWKVEANCORM-UHFFFAOYSA-N	-3	2	257.952	-0.695	50	0	endogenous,in-vivo	CBAALL