smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NCC[NH3+])cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000217678030 382787633 /nfs/dbraw/zinc/78/76/33/382787633.db2.gz ZJKCJXPKTPQNKO-UHFFFAOYSA-N 2 1 277.759 2.553 40 70 CFIBMP