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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2272 6522 1 SSnO2C10H22 ABC2D10E22 -27.33 34.82 -6.0 -3.35 0
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2273 6525 1 OC8H12 AB8C12 -14.37 1.78 -10.41 1.24 0
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2274 6530 1 PO4C30H39 AB4C30D39 -221.72 0.84 -9.13 -0.01 0
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2275 6539 1 PO3C12H27 AB3C12D27 -240.74 1.3 -10.4 1.15 0
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2276 6543 1 PO2S2N5C6H12 AB2C2D5E6F12 -116.02 5.45 -9.33 -0.71 0
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2277 6544 1 OC9H14 AB9C14 -60.42 5.36 -9.75 0.12 0
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2278 6577 1 OC2Cl2H2 AB2C2D2 -58.16 2.55 -11.27 -0.66 0
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2279 6578 1 NOC3H7 ABC3D7 -58.77 4.16 -10.42 1.14 0
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2280 6579 1 NOC3H5 ABC3D5 -28.1 3.67 -10.45 -0.08 0
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2281 6582 1 NOC3H7 ABC3D7 -54.2 4.68 -9.78 1.28 0
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2282 6587 1 NC2O2H5 AB2C2D5 -21.69 4.2 -11.13 -0.5 0
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2283 6588 2 CHBr2 ABC2 8.56 1.61 -10.74 -1.66 0
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2284 6601 1 ClOC3F5 ABC3D5 -291.8 0.49 -11.73 -2.0 0
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2285 6604 1 N2O9C22H24 A2B9C22D24 -348.39 6.36 -8.93 -1.22 0
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2286 6615 2 NC18H37 AB18C37 -99.29 5.51 -6.31 1.69 2
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2287 6618 1 O2Br4H12C15 A2B4C12D15 -42.01 2.91 -9.28 -0.71 0
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2288 6624 1 OCl2H12C14 AB2C12D14 -25.28 2.93 -9.44 -0.39 0
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2289 6633 1 NSO2C13H19 ABC2D13E19 -84.92 6.22 -9.69 -0.41 0
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2290 6642 1 SO3C10H14 AB3C10D14 -114.17 4.41 -10.33 -0.73 0
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2291 6645 1 SO3C8H10 AB3C8D10 -109.49 5.24 -10.26 -0.62 0
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2292 6646 1 BrNO3C17H24 ABC3D17E24 -118.33 12.78 -7.88 -0.58 0
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2293 6647 1 BrNO2C17H32 ABC2D17E32 -136.36 15.67 -7.7 -0.15 0
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2294 6655 1 BrO2C4H7 AB2C4D7 -99.34 3.93 -11.05 -1.15 0
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2295 6668 2 NSO3C7H7 ABC3D7E7 -190.1 3.62 -8.81 -0.75 0
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2296 6675 1 NSO7C26H45 ABC7D26E45 -372.14 5.85 -10.08 -0.05 0
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2297 6676 1 O5C24H40 A5B24C40 -283.45 4.4 -10.2 0.64 0
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2298 6679 1 ClNO3H12C21 ABC3D12E21 -34.76 4.9 -9.16 -1.83 0
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2299 6684 2 NH3O4C7 AB3C4D7 -72.69 4.95 -9.76 -3.39 0
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2300 6689 1 S2N3O8H15C20 A2B3C8D15E20 -247.27 7.76 -8.35 -2.23 0
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2301 6694 1 ClN2O3C28H31 AB2C3D28E31 -72.62 2.62 -6.67 -0.82 0
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2302 6699 2 O2H8C13 A2B8C13 -18.2 2.73 -9.21 -1.42 0
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2303 6701 1 NO4H9C15 AB4C9D15 -99.41 4.78 -9.48 -2.07 0
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2304 6705 2 NH3O3C7 AB3C3D7 -3.06 1.91 -11.2 -2.35 0
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2305 6710 1 NO2H9C14 AB2C9D14 -17.48 2.17 -8.84 -1.53 0
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2306 6711 2 ClOH3C7 ABC3D7 -24.0 0.0 -9.92 -1.92 0
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2307 6716 1 O4H10C13 A4B10C13 -97.58 2.76 -8.91 -0.68 0
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2308 6726 2 NC9H11 AB9C11 51.17 0.66 -8.3 0.22 0
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2309 6728 1 N3C26H33 A3B26C33 106.65 14.6 -6.32 0.16 2
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2310 6737 1 OCl2H4C7 AB2C4D7 -19.78 3.9 -9.94 -1.14 0
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2311 6743 1 OC29H52 AB29C52 -151.19 2.47 -10.0 3.04 0
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2312 6744 1 OC29H50 AB29C50 -130.08 2.7 -9.15 1.43 0
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2313 6751 1 O2N3C18H19 A2B3C18D19 -17.16 2.95 -9.11 -1.22 0
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2314 6756 1 NOC21H27 ABC21D27 -0.97 2.66 -7.93 0.21 0
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2315 6759 1 N4O6C17H20 A4B6C17D20 -215.07 8.39 -9.41 -2.0 0
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2316 6760 1 NO4H13C14 AB4C13D14 -72.63 5.26 -7.93 -0.8 0
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2317 6770 1 NO4H17C19 AB4C17D19 -84.82 1.9 -8.59 -0.14 0
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2318 6771 1 ClNO2H8C14 ABC2D8E14 -27.33 2.76 -9.11 -1.74 0
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2319 6772 2 OH6C8 AB6C8 -25.56 0.95 -9.96 -1.61 0
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2320 6775 2 ClNOC4 ABCD4 39.24 3.92 -10.84 -3.34 0
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2321 6776 2 O2H4C7 A2B4C7 -101.75 0.0 -9.72 -1.77 0
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2322 6796 1 NH9C13 AB9C13 64.7 2.35 -9.09 -0.79 0
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2323 6799 1 ClO2H9C13 AB2C9D13 -40.98 2.41 -9.26 -1.19 0
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2324 6803 1 SO4N5C10H13 AB4C5D10E13 -105.29 3.18 -8.93 -0.84 0
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2325 6807 1 NH5O5C7 AB5C5D7 -107.03 6.8 -10.48 -1.96 0
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2326 6808 1 NO2C8H9 AB2C8D9 -79.54 3.32 -10.21 -0.1 0
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2327 6823 1 ON2H16C18 AB2C16D18 47.3 0.74 -8.7 -1.11 0
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2328 6830 1 P3N5C10O14H16 A3B5C10D14E16 -755.84 6.98 -10.15 -1.5 0
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2329 6833 1 NS2C16H21 AB2C16D21 52.05 1.78 -8.64 -0.25 0
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2330 6846 1 NH7C11 AB7C11 71.96 4.13 -9.33 -1.12 0
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2331 6848 1 NC12H13 AB12C13 41.78 1.54 -8.53 -0.27 0
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2332 6856 1 BrOH7C12 ABC7D12 24.45 1.62 -9.19 -0.88 0
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2333 6876 1 O5C11H12 A5B11C12 -192.96 2.08 -9.83 -0.88 0
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2334 6877 1 NO2C9H11 AB2C9D11 -76.05 0.95 -8.64 -0.31 0
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2335 6897 1 ClNC7H8 ABC7D8 4.61 2.67 -8.51 0.08 0
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2336 6898 1 ClOC7H7 ABC7D7 -36.96 3.39 -9.01 -0.14 0
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2337 6899 1 OCl2H4C6 AB2C4D6 -37.06 1.84 -9.33 -0.6 0
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2338 6903 1 NOCl5C25H42 ABC5D25E42 -127.37 18.07 -7.54 -0.66 0
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2339 6918 1 SO2H4C5 AB2C4D5 -51.49 5.18 -9.87 -1.05 0
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2340 6922 1 NF3H6C7 AB3C6D7 -142.17 3.46 -8.95 -0.34 0
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2341 6924 1 NSO2C7H9 ABC2D7E9 -62.23 3.88 -9.86 -0.49 0
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2342 6932 1 O2C11H16 A2B11C16 -82.44 2.45 -8.3 0.15 0
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2343 6934 1 NSO3C7H9 ABC3D7E9 -117.99 4.92 -8.87 -0.54 0
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2344 6937 1 OC11H16 AB11C16 -54.62 1.51 -8.72 0.4 0
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2345 6953 1 ClH2N3C6O6 AB2C3D6E6 16.88 0.57 -11.54 -2.84 0
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2346 6954 1 H3N3C6O7 A3B3C6D7 -28.8 1.93 -11.48 -2.76 0