smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCCCc2cc(O)c(O)cc21 5081633 169371255 /nfs/dbraw/zinc/37/12/55/169371255.db2.gz JKKGBPVRHOSPHG-UHFFFAOYSA-N -1 0 192.214 2.007 40 10 AECBRM O=Cc1sc2ccccc2c1[O-] 6117589 351350174 /nfs/dbraw/zinc/35/01/74/351350174.db2.gz FKDSQVIMAMXYDT-UHFFFAOYSA-N -1 0 178.212 2.419 40 10 AECBRM