smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCC=[NH+]C1 22039222 169250794 /nfs/dbraw/zinc/25/07/94/169250794.db2.gz SEECZTVWJNGUEJ-RXMQYKEDSA-N 2 1 98.149 0.178 1 0 in-vivo ACAFMP [NH3+][C@H]1CCC=[NH+]C1 33530259 169270910 /nfs/dbraw/zinc/27/09/10/169270910.db2.gz SEECZTVWJNGUEJ-YFKPBYRVSA-N 2 1 98.149 0.178 1 0 in-vivo ACAFMP