smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 ZINC000073158407 191286326 /nfs/dbraw/zinc/28/63/26/191286326.db2.gz QEBAODYBLVOGEJ-GOSISDBHSA-N 2 2 305.442 2.245 1 5 DEBFLP C[NH+](C)[C@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 ZINC000073158410 191285718 /nfs/dbraw/zinc/28/57/18/191285718.db2.gz QEBAODYBLVOGEJ-SFHVURJKSA-N 2 2 305.442 2.245 1 5 DEBFLP