smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=N\CC[NH+](C)C)c1ccccc1 196311288 166053623 /nfs/dbraw/zinc/05/36/23/166053623.db2.gz FEDBJQZENFBFEG-ACCUITESSA-N 2 0 190.290 2.057 50 30 AEEARP CCCCCCC[NH2+]CCC[NH2+]C 100016237 343708817 /nfs/dbraw/zinc/70/88/17/343708817.db2.gz QKPBZKMDLSQTQA-UHFFFAOYSA-N 2 0 186.343 2.156 50 30 AEEARP CCCCCCCC[NH2+]CCC[NH3+] 100650317 343719499 /nfs/dbraw/zinc/71/94/99/343719499.db2.gz KPZNJYFFUWANHA-UHFFFAOYSA-N 2 0 186.343 2.285 50 30 in-vitro AEEARP