smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1Cc2cc(O)c(O)cc2OC1=O 77271090 169279348 /nfs/dbraw/zinc/27/93/48/169279348.db2.gz QFDAWDIZHRDYLT-YFKPBYRVSA-N 1 1 195.174 -0.113 40 10 in-vitro ABCBMO N#[N+]C1CNC(=O)NC1=O 5956545 534973718 /nfs/dbraw/zinc/97/37/18/534973718.db2.gz LMVCXUQSILHPLZ-UHFFFAOYSA-N 1 1 140.102 -0.663 40 10 ABCBMO