smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C1\C[N@+]2(CCCC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000254448851 717170625 /nfs/dbraw/zinc/17/06/25/717170625.db2.gz PMVPZDGAMARLPF-QVWXRFTMSA-O 1 0 365.497 3.878 10 50 FHGERO