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@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@@H+](C)CCCC(=O)[O-] ZINC000159525826 197361046 /nfs/dbraw/zinc/36/10/46/197361046.db2.gz RXSKQAOZKFSEOG-HOTGVXAUSA-N 1 1 318.461 2.940 10 70 DFIEMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[N@@H+](C)CCCC(=O)[O-] ZINC000159525950 197361065 /nfs/dbraw/zinc/36/10/65/197361065.db2.gz RXSKQAOZKFSEOG-HZPDHXFCSA-N 1 1 318.461 2.940 10 70 DFIEMO