smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(CC(=O)[O-])O[P@](=O)([O-])O 71789707 166131692 /nfs/dbraw/zinc/13/16/92/166131692.db2.gz RRWRPLLIACEGCK-UHFFFAOYSA-N -2 2 182.068 0.084 40 30 in-vitro ACEBLL C=C(CC(=O)[O-])O[P@@](=O)([O-])O 71789707 166131696 /nfs/dbraw/zinc/13/16/96/166131696.db2.gz RRWRPLLIACEGCK-UHFFFAOYSA-N -2 2 182.068 0.084 40 30 in-vitro ACEBLL NC(=S)NN=Cc1ncccc1O 6092214 169133018 /nfs/dbraw/zinc/13/30/18/169133018.db2.gz ISFBDLBZPVCEKD-ONNFQVAWSA-N -2 2 196.235 0.366 40 30 ACEBLL