smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043815884 563121349 /nfs/dbraw/zinc/12/13/49/563121349.db2.gz SNTQXPNXCDGQQN-UHFFFAOYSA-N 2 1 449.508 2.378 1 70 IEIFMP