HMDB0253627 RDKit 3D Isocyanic acid 4 3 0 0 0 0 0 0 0 0999 V2000 -0.7348 0.3910 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 0.2019 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -0.2156 -0.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 -0.3773 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 1 4 1 0 M END