smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H](CO)Nc1nc(NC)[nH+]cc1OC ZINC001623331663 1165766278 /nfs/dbraw/zinc/76/62/78/1165766278.db2.gz MRKKUGDWODATMF-SECBINFHSA-N 1 2 254.334 1.490 30 0 CDACLO