smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2c(O)cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccccn1 ZINC000299888513 556708207 /nfs/dbraw/zinc/70/82/07/556708207.db2.gz MJTZJDRAIFALLM-UHFFFAOYSA-N -2 2 425.400 2.555 40 10 IFCBLL