smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NC(O)=CCNC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O ZINC000027189088 563040949 /nfs/dbraw/zinc/04/09/49/563040949.db2.gz RPWCQFSJVMOKQP-HNNXBMFYSA-N 1 2 452.537 -1.207 1 30 JAEFLO