smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1 ZINC000218230449 557183380 /nfs/dbraw/zinc/18/33/80/557183380.db2.gz PSZYNGHPHZXANT-UHFFFAOYSA-N 1 2 428.536 4.684 50 70 IJIALO