HMDB0002878 RDKit 3D Nitrate 4 3 0 0 0 0 0 0 0 0999 V2000 -0.5467 1.1635 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 0.0296 0.0001 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.7880 -1.0875 0.0058 O 0 0 0 0 0 1 0 0 0 0 0 0 1.3438 -0.1057 -0.0120 O 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 M CHG 3 2 1 3 -1 4 -1 M END