smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)CCCC(=O)N[O-] 379328400 538347710 /nfs/dbraw/zinc/34/77/10/538347710.db2.gz PELWEGWPGDEFQI-QMMMGPOBSA-N -1 3 173.256 2.098 20 5 AEBDHM CCC[C@@H](C)CCCC(=O)N[O-] 379328399 538347730 /nfs/dbraw/zinc/34/77/30/538347730.db2.gz PELWEGWPGDEFQI-MRVPVSSYSA-N -1 3 173.256 2.098 20 5 AEBDHM