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(Cl)=C/Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)n(C)c(=O)n2C ZINC000002520865 557719722 /nfs/dbraw/zinc/71/97/22/557719722.db2.gz JZESAVGXTSIWCB-XQRVVYSFSA-N -2 3 422.789 -1.290 40 30 HAEBHL