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+]1(C)CCN(c2cccc[nH+]2)CC1 13470043 132182617 /nfs/dbraw/zinc/18/26/17/132182617.db2.gz NTCQIRDPMSZDGZ-UHFFFAOYSA-N 2 2 192.286 0.978 1 5 ACBFLP