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@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)[NH+]1CCCCC1 ZINC000043195995 717128241 /nfs/dbraw/zinc/12/82/41/717128241.db2.gz KBMILMUSFPMBSW-NRFANRHFSA-N 2 1 345.507 3.170 1 5 EGBFMP C[NH+]1CCN(CCCNc2cc[nH+]c3cc4ccccc4cc23)CC1 ZINC000020029143 212094233 /nfs/dbraw/zinc/09/42/33/212094233.db2.gz PTNAWAQLOLOCLX-UHFFFAOYSA-N 2 1 334.467 3.437 1 5 EGBFMP C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)[NH+]1CCCCC1 ZINC000043196006 717128458 /nfs/dbraw/zinc/12/84/58/717128458.db2.gz KBMILMUSFPMBSW-OAQYLSRUSA-N 2 1 345.507 3.170 1 5 EGBFMP