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(CCl)CC[C@@H]1[C@](CO)(C(=O)OC)c1[nH]c3ccccc3c1CC2 ZINC000238775191 717163084 /nfs/dbraw/zinc/16/30/84/717163084.db2.gz RLIMFICAKVOJON-NOAIWHDXSA-N 1 0 403.930 3.106 1 50 HGGFRO