smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccccc2C)c2ccc3ccccc3c2[nH+]1 ZINC000000975248 566835429 /nfs/dbraw/zinc/83/54/29/566835429.db2.gz YYDHZGXKAHYQEF-UHFFFAOYSA-N 1 1 298.389 5.748 50 5 CKBAMO Cc1ccc(Nc2cc(C)[nH+]c3c4ccccc4ccc23)cc1 ZINC000006255928 570349885 /nfs/dbraw/zinc/34/98/85/570349885.db2.gz MYAIVJSLCDRCDP-UHFFFAOYSA-N 1 1 298.389 5.748 50 5 CKBAMO Cc1cc(Nc2ccccc2)c2ccc3ccccc3c2[nH+]1 ZINC000006792543 170244307 /nfs/dbraw/zinc/24/43/07/170244307.db2.gz MRBADEVIVHRDIW-UHFFFAOYSA-N 1 1 284.362 5.440 50 5 CKBAMO