smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000217978235 571603073 /nfs/dbraw/zinc/60/30/73/571603073.db2.gz WPAUAOAKJWAHFB-QFIPXVFZSA-N 0 0 554.644 1.723 50 70 KDIARN