smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC#Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F ZINC000034361872 483576314 /nfs/dbraw/zinc/57/63/14/483576314.db2.gz YZMXEAFWOQOJCL-VHSXEESVSA-N 0 2 361.276 -0.764 10 30 FBEELN