smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)c1c3c4c(ccc3N(CCN(C)C)CC[NH+]=1)ncn42 ZINC000031852774 220647783 /nfs/dbraw/zinc/64/77/83/220647783.db2.gz WXOLZCJGPDYUAH-UHFFFAOYSA-N 1 3 361.449 2.369 1 5 FEBFHO