HMDB0245870 RDKit 3D 3-Fluoro-5-[(pyridin-3-yl)ethynyl]benzonitrile 24 25 0 0 0 0 0 0 0 0999 V2000 -5.2876 0.8955 -2.5972 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6039 0.6710 -1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 0.3753 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 0.1833 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -0.0990 1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1902 -0.2820 2.9743 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2159 -0.1869 1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 0.0003 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.0821 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 -0.1620 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 -0.2629 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 0.8447 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 0.7319 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -0.5266 -0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 -1.6094 -0.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -1.4924 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 0.2819 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4294 0.2601 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 -0.4084 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 1.8217 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3164 1.5960 -0.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 -0.5738 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 -2.4072 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9081 0.4312 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 3 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 8 17 2 0 17 3 1 0 16 11 1 0 4 18 1 0 7 19 1 0 12 20 1 0 13 21 1 0 14 22 1 0 16 23 1 0 17 24 1 0 M END