KEGG:C02116 2-Nitropropane ISISHOST03240423052D 1 1.00000 0.00000 1919 6 5 0 0 0 999 V2000 -0.0138 -0.4034 0.0000 C 0 0 3 0 0 0 0 0 0 -0.0138 0.3448 0.0000 N 0 3 0 0 0 0 0 0 0 -0.6655 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0.6345 -0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7517 0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0.8103 0.8069 0.0000 O 0 5 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 M CHG 2 2 1 6 -1 M END