smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[C@H](N)C[NH3+] ZINC000043938953 175126183 /nfs/dbraw/zinc/12/61/83/175126183.db2.gz PWJWNZBLKWYLPP-INIZCTEOSA-N 1 3 256.478 4.364 40 30 CIEBHO CCCCCCCCCCCCCC[C@@H](N)C[NH3+] ZINC000043938955 175126150 /nfs/dbraw/zinc/12/61/50/175126150.db2.gz PWJWNZBLKWYLPP-MRXNPFEDSA-N 1 3 256.478 4.364 40 30 CIEBHO