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+])NCCC[C@H](NC(=O)[C@@H](CC(=O)N[O-])Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000095585221 562773544 /nfs/dbraw/zinc/77/35/44/562773544.db2.gz BZKOMDWHRRVIDX-GKIXMTHWSA-N -1 3 743.822 0.686 10 30 KCEEHM