updated dataset and report

Fixed unique IDs for isomers.

Made corrections for double question marks and other pka_type inconsistencies.

Corrected an incomplete sentence in the digitization report.

Author: Olivierj23

.gitignore

@@ -156,4 +156,5 @@ fabric.properties
 # Android studio 3.1+ serialized cache file
 .idea/caches/build_file_checksums.ser
 
-sjc/
+sjc/
+.DS_Store