smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2=O)cc1 ZINC000020610925 519836810 /nfs/dbraw/zinc/83/68/10/519836810.db2.gz QBDUZKIFDIEYBR-PTXQCKOHSA-N 0 2 435.433 -1.334 50 10 biogenic IACALN