smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[NH2+]Cc1c2ccccc2c(C[NH2+]CC[NH3+])c2ccccc21 ZINC000019365329 182119388 /nfs/dbraw/zinc/11/93/88/182119388.db2.gz DUOBHOQMGPIAHC-UHFFFAOYSA-N 4 2 322.456 2.090 40 5 DEBBLP