smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000012504397	562982576	/nfs/dbraw/zinc/98/25/76/562982576.db2.gz	QOYVAFWJURKBJG-RNJXMRFFSA-N	-3	0	427.203	0.038	1	10		ICCFRL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])c1O	ZINC000013536865	562992403	/nfs/dbraw/zinc/99/24/03/562992403.db2.gz	AWDORQGDSMVQAK-ZDUSSCGKSA-N	-2	0	428.334	0.902	1	10		ICCFRL
O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000015219255	574413863	/nfs/dbraw/zinc/41/38/63/574413863.db2.gz	ACYXDIZTQDLTCB-QRBLDHTBSA-N	-2	0	434.353	0.577	1	10	endogenous,in-man	ICCFRL
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@](O)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000015219261	574413853	/nfs/dbraw/zinc/41/38/53/574413853.db2.gz	ACYXDIZTQDLTCB-RQJPTTJCSA-N	-2	0	434.353	0.577	1	10	endogenous,in-man	ICCFRL
O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000031155506	563083129	/nfs/dbraw/zinc/08/31/29/563083129.db2.gz	ACYXDIZTQDLTCB-UVIKLTKHSA-N	-2	0	434.353	0.577	1	10	endogenous,in-man	ICCFRL
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)[O-]	ZINC000095617951	571797086	/nfs/dbraw/zinc/79/70/86/571797086.db2.gz	ACYXDIZTQDLTCB-YRZZOSFISA-N	-2	0	434.353	0.577	1	10	endogenous,in-man	ICCFRL