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Long-RInChIKey=SA-BUHFF-CRKMVEBXOLFIGX-UHFFFAOYSA-N--KQHDEEUNLFLQSV-UHFFFAOYSA-N-HSNBRDZXJMPDGH-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--RNHDAKUGFHSZEV-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-CRKMVEBXOL-BJEWQINRMN-RNHDAKUGFH-NUHFF-LUHFF-NUHFF-ZZZ

Web-RInChIKey=NPFHSQJZQCGYREZKT-LUHFFFADPSCTJSA