smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)([NH3+])CCCl 2019855 717093730 /nfs/dbraw/zinc/09/37/30/717093730.db2.gz FXYGVVMIHVKCMW-UHFFFAOYSA-N 2 0 123.607 0.175 50 50 ACGARP F[N+]12CC[N+](CCl)(CC1)CC2 2512248 717094726 /nfs/dbraw/zinc/09/47/26/717094726.db2.gz ZQGDSZPGKPJABN-UHFFFAOYSA-N 2 0 180.654 0.728 50 50 ACGARP