smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000020112938 182188515 /nfs/dbraw/zinc/18/85/15/182188515.db2.gz WUIPOABWRCWMQU-UHFFFAOYSA-N 1 3 319.472 4.664 40 5 DJBBHO CC(C)[N+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000020112800 182188445 /nfs/dbraw/zinc/18/84/45/182188445.db2.gz YQHXJMWEQOYPRY-UHFFFAOYSA-N 1 3 319.472 4.663 40 5 DJBBHO