smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(C=NNC(N)=[NH2+])ccc(C=NNC(N)=[NH2+])c1OC ZINC000042923362 183319084 /nfs/dbraw/zinc/31/90/84/183319084.db2.gz XSKQZSLWENPFMF-QJZPKIEXSA-N 2 1 306.330 -0.872 1 30 DBEFMP