smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2c(cc3c1ccnc3C(=O)NCCN(C)C)c1cc(OP(=O)([O-])[O-])ccc1n2C ZINC000026267914 563025039 /nfs/dbraw/zinc/02/50/39/563025039.db2.gz JCOOHLXXVRSGJS-UHFFFAOYSA-N -2 3 456.439 2.951 1 5 JFBFHL