smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000217385770 569880024 /nfs/dbraw/zinc/88/00/24/569880024.db2.gz BANVJFJXKBHLQE-WHAITMRBSA-N 0 1 462.678 4.986 40 70 JJIBMN