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