smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCOc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1 ZINC000043409526 136121364 /nfs/dbraw/zinc/12/13/64/136121364.db2.gz HXBSWULSVKISFC-UHFFFAOYSA-N 2 1 359.518 4.002 1 30 FIEFMP Cc1cc(NC(N[C@@H]2NC=CS2)=[NH+]C2CCCCC2)c2ccccc2[nH+]1 ZINC000101235689 222266418 /nfs/dbraw/zinc/26/64/18/222266418.db2.gz DNVDDRVCYXVHQM-FQEVSTJZSA-N 2 1 367.522 4.325 1 30 FIEFMP