smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C(=C\C=[NH+]\c1ccccc1)CCC=C(C)C ZINC000584593381 358251371 /nfs/dbraw/zinc/25/13/71/358251371.db2.gz SIYBFSYMJSQGNT-KSQUNMIPSA-N 1 2 241.378 5.472 10 30 BKEELO