1. Department of Chemistry, University of São Paulo, Ribeirão Preto 055508−090, Brazil
2. Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, Oslo 0315, Norway
3. Institute of Chemistry, Technische Universität Berlin, Berlin 10623, Germany
4. Department of Pharmaceutical Sciences, University of Milan, Via Mangiagalli 25, Milan I-20133, Italy
5. Insitro Inc., 279 East Grand Avenue, South San Francisco 94080, California, United States
6. Department of Mathematics, Michigan State University, East Lansing 48824, Michigan, United States
7. Department of Chemistry, Michigan State University, East Lansing 48824, Michigan, United States