smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=Nc1ccccc1N=Cc1ccnn1C)c1c([O-])nc([O-])sc1=O ZINC000254288119 509904612 /nfs/dbraw/zinc/90/46/12/509904612.db2.gz ICMCZPNWNBZILD-UHFFFAOYSA-N -2 1 369.406 2.539 10 30 FFEEML