smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](Cc3cc(=O)n4[nH]c(C)cc4n3)C[C@H]2C1=O ZINC000102817998 484265413 /nfs/dbraw/zinc/26/54/13/484265413.db2.gz DNBFBUCRWXIDRF-UGSOOPFHSA-N -2 2 371.397 -0.138 50 30 FBEALL