dsC7O2H10nsd.xyz.tar.bz2 (3.96 MB)
Data for 6095 constitutional isomers of C7H10O2
Version 2 2017-06-06, 10:26
Version 1 2014-07-31, 12:01
dataset
posted on 2017-06-06, 10:26 authored by Raghunathan RamakrishnanRaghunathan Ramakrishnan, Pavlo Dral, Matthias RuppMatthias Rupp, O. Anatole von LilienfeldData for 6095 constitutional isomers of C7H10O2
In an earlier version of this dataset the titles of the files "Data for 133885 GDB-9 molecules" and "Data for 6095 constitutional isomers of C7H10O2" were swapped. This has now been corrected.