The ANI-1x and ANI-1ccx data sets are foundational resources used to train the universal ANI-1x and ANI-1ccx ML potentials, respectively. These data sets provide an extensive collection of millions of organic molecule conformations containing the elements carbon, hydrogen, nitrogen, and oxygen (CHNO). The ANI-1x data set includes DFT calculations for approximately 5 million organic molecule conformations, obtained through an active learning algorithm. This data set features a much wider variety of molecular conformations compared to the ANI-1 random sampled data set, owing to the active learning methods employed in its construction. The ANI-1ccx data set is a carefully selected 10% subset of the ANI-1x data set, recomputed with CCSD(T)/CBS level of theory.