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 ZINC000012654278 717106866 /nfs/dbraw/zinc/10/68/66/717106866.db2.gz PMVPZDGAMARLPF-FCDGWIIWSA-O 1 0 365.497 3.878 40 50 FHGBRO C/C=C1/C[N+]2(CCCC)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000012654274 717107176 /nfs/dbraw/zinc/10/71/76/717107176.db2.gz PMVPZDGAMARLPF-XPBYFYITSA-O 1 0 365.497 3.878 40 50 FHGBRO