smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Nc1c([O-])cc(O)c2ccccc12 12410391 571962587 /nfs/dbraw/zinc/96/25/87/571962587.db2.gz YLYKCSDPNQQFPL-UHFFFAOYSA-N -2 1 189.170 2.649 10 0 AFAEML