smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1ccccc1C2=O ZINC000005919442 556069254 /nfs/dbraw/zinc/06/92/54/556069254.db2.gz SKFYKJLSKFOQLM-UHFFFAOYSA-N 1 3 436.600 3.969 50 10 IHCAHO