smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H]1CC[C@](CCc2cc(C[NH2+]C)c([O-])c(OC)c2)(OC(C)=O)C[C@H]1O ZINC000085627678 291249534 /nfs/dbraw/zinc/24/95/34/291249534.db2.gz FYMRIADKJAOCIS-XQFWAAQXSA-N 0 3 407.551 3.706 1 10 biogenic,in-vitro HHCFHN