smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])cc2c(=O)oc3c(O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43 ZINC000033830865 556568429 /nfs/dbraw/zinc/56/84/29/556568429.db2.gz VAXNJGHUQUHOGC-ZDLAQBPYSA-N -1 0 448.336 -0.272 10 5 biogenic IBBERM O=C([O-])[C@H]1O[C@@H](Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000033971074 569587488 /nfs/dbraw/zinc/58/74/88/569587488.db2.gz UJTOVSZPBVTOMC-QKZHPOIUSA-N -1 0 441.374 -0.425 10 5 world IBBERM