smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CC[NH+](C)CC2)cc(Nc2ccc(I)cc2)[nH+]1 ZINC000216849102 568468312 /nfs/dbraw/zinc/46/83/12/568468312.db2.gz CPYBVBCMCUUQNI-UHFFFAOYSA-N 2 2 409.275 2.885 40 70 HFIBLP