smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[nH]c(N=NC(N=Nc2ccc(C(=O)[O-])cc2)c2ccccc2)n1 ZINC000253532968 855654530 /nfs/dbraw/zinc/65/45/30/855654530.db2.gz LYGOOYSZLYPAOV-UHFFFAOYSA-N -1 2 376.376 3.746 50 30 GHEALM CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])O ZINC000062624861 205185630 /nfs/dbraw/zinc/18/56/30/205185630.db2.gz FAZBDRGXCKPVJU-MRXNPFEDSA-N -1 2 382.434 3.701 50 30 in-vitro,metabolite GHEALM CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])O ZINC000062624861 205185633 /nfs/dbraw/zinc/18/56/33/205185633.db2.gz FAZBDRGXCKPVJU-MRXNPFEDSA-N -1 2 382.434 3.701 50 30 in-vitro,metabolite GHEALM