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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297219 117613396 1 ClOF3N3C20H27 ABC3D3E20F27 -166.27 5.44 -9.03 -0.94 0
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297220 117613481 1 S2N5O7C12H19 A2B5C7D12E19 -196.16 8.21 -9.07 -1.17 0
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297221 117613485 1 SN3O9C13H21 AB3C9D13E21 -305.26 7.35 -10.23 -0.95 0
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297222 117613530 1 O2F3N4C24H29 A2B3C4D24E29 -213.95 3.59 -8.83 -1.03 0
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297223 117613532 1 O2F3N3C19H22 A2B3C3D19E22 -198.05 3.73 -8.9 -1.06 0
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297224 117613541 1 N4C19H24 A4B19C24 52.64 4.22 -8.25 -0.32 0
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297225 117613547 1 OF3N3C20H24 AB3C3D20E24 -144.21 7.89 -8.07 -1.7 0
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297226 117613576 1 SN4O7C13H24 AB4C7D13E24 -235.38 4.04 -9.24 -1.24 0
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297227 117613608 1 NO4C10H21 AB4C10D21 -220.83 2.9 -9.99 0.53 0
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297228 117613609 1 NO3C9H19 AB3C9D19 -167.46 4.49 -9.87 0.95 0
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297229 117613631 1 NS2O8C25H29 AB2C8D25E29 -244.19 6.09 -8.96 -0.6 0
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297232 117613665 1 IC8H17 AB8C17 -31.79 2.69 -9.57 -0.64 0
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297233 117613666 1 O2N4C25H28 A2B4C25D28 6.07 5.75 -8.98 -0.77 0
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297234 117613693 1 SF3N4O6H25C32 AB3C4D6E25F32 -231.36 6.34 -9.43 -1.6 0
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297235 117613696 1 SF2N4O6H24C30 AB2C4D6E24F30 -210.87 8.3 -9.28 -1.25 0
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297236 117613697 1 SF2N3O6H29C32 AB2C3D6E29F32 -232.63 6.0 -9.2 -1.18 0
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297237 117613706 1 SN3F5O5H20C29 AB3C5D5E20F29 -319.73 8.41 -9.3 -1.45 0
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297238 117613734 1 OF6N7H13C18 AB6C7D13E18 -201.56 5.71 -9.58 -1.33 0
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297239 117613736 1 SN3O5F6H23C30 AB3C5D6E23F30 -386.51 7.14 -9.18 -1.22 0
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297240 117613738 1 SF3N3O5H26C30 AB3C3D5E26F30 -240.96 2.34 -9.13 -1.36 0
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297241 117613885 1 SN3O5F8H19C29 AB3C5D8E19F29 -457.87 8.4 -9.92 -2.14 0
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297242 117613923 1 OC10H14 AB10C14 34.02 1.47 -8.35 0.46 0
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297243 117613943 1 O2N3C40H65 A2B3C40D65 -123.78 5.12 -7.7 -1.17 0
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297244 117613944 1 BrNSO2C10H12 ABCD2E10F12 -60.47 4.75 -9.72 -1.03 0
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297245 117614114 1 SN3O4F6H21C30 AB3C4D6E21F30 -316.44 7.82 -9.18 -1.35 0
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297246 117614115 1 ClSN3O5F8H18C29 ABC3D5E8F18G29 -469.93 8.03 -9.54 -1.75 0
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297247 117614151 1 BrN3C10H10 AB3C10D10 79.97 4.58 -9.82 -0.58 0
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297248 117614152 1 F3N3O4C28H36 A3B3C4D28E36 -289.24 5.78 -8.8 -0.41 0
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297249 117614153 1 F3O4N5C21H24 A3B4C5D21E24 -277.7 7.09 -9.32 -1.08 0
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297250 117614162 1 O2N3C26H31 A2B3C26D31 -18.42 8.49 -7.98 -1.5 0
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297251 117614163 1 F3N3O3C31H40 A3B3C3D31E40 -280.25 4.06 -8.55 -0.13 0
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297252 117614167 1 SO4N6C25H30 AB4C6D25E30 -64.77 2.88 -9.32 -1.84 0
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297253 117614176 1 F2O2N5C21H21 A2B2C5D21E21 -75.76 5.57 -9.11 -1.54 0
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297254 117614182 1 SO3N5C24H29 AB3C5D24E29 -22.91 6.35 -9.09 -1.63 0
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297255 117614184 1 SO3N5C24H29 AB3C5D24E29 -25.91 5.87 -9.0 -1.44 0
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297256 117614188 1 ON6C20H22 AB6C20D22 72.16 8.52 -8.86 -1.04 0
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297257 117614241 1 N2F3O4C26H31 A2B3C4D26E31 -309.72 8.56 -8.65 -0.82 0
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297258 117614242 1 N3C8H11 A3B8C11 63.09 1.0 -7.85 -0.14 0
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297259 117614243 1 N3O4C24H33 A3B4C24D33 -108.95 9.74 -8.55 -0.34 0
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297260 117614244 1 N3C8H11 A3B8C11 71.55 3.47 -8.25 -0.12 0
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297261 117614251 1 F3N4O4C24H29 A3B4C4D24E29 -252.38 5.12 -9.19 -0.75 0
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297262 117614275 1 O3N5C19H21 A3B5C19D21 -23.27 3.89 -8.56 -1.08 0
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297263 117614283 1 O2N5C21H23 A2B5C21D23 20.64 9.28 -8.89 -1.1 0
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297264 117614284 1 SO2F3N6C25H29 AB2C3D6E25F29 -135.58 5.6 -8.92 -1.31 0
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297265 117614303 1 O2N8H24C25 A2B8C24D25 80.07 5.5 -8.91 -1.27 0
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297266 117614304 1 F2O2N4C21H22 A2B2C4D21E22 -108.53 11.2 -8.96 -1.69 0
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297267 117614305 1 SO3N5C17H19 AB3C5D17E19 -30.2 6.12 -8.99 -1.59 0
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297268 117614308 1 ON5C19H25 AB5C19D25 38.31 4.93 -8.46 -0.36 0
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297269 117614310 1 OF3N5C20H22 AB3C5D20E22 -121.91 9.26 -8.66 -1.15 0
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297270 117614318 1 ON8C26H26 AB8C26D26 130.76 6.89 -8.95 -1.3 0
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297271 117614319 1 O4N5C30H37 A4B5C30D37 -104.9 10.89 -8.74 -1.05 0
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297272 117614320 1 N8O63C108H154 A8B63C108D154 -2869.48 4.85 -9.27 -0.13 0
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297273 117614326 1 OF3N6C21H23 AB3C6D21E23 -122.79 8.56 -8.77 -1.1 0
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297274 117614336 1 PO10C16H27 AB10C16D27 -489.68 5.4 -9.39 0.41 0
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297275 117614338 1 N4O5C28H38 A4B5C28D38 -186.92 1.57 -8.12 -0.37 0
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297276 117614339 1 N3O3C28H39 A3B3C28D39 -119.56 3.57 -8.46 -0.27 0
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297277 117614363 1 SO5C9H16 AB5C9D16 -234.29 4.01 -9.91 -0.75 0
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297278 117614365 1 O5C17H24 A5B17C24 -199.39 2.81 -9.77 -0.12 0
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297279 117614368 1 NO12C17H33 AB12C17D33 -534.09 4.89 -9.36 0.39 1
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297280 117614372 1 N3S4O16C42H54 A3B4C16D42E54 -603.18 8.03 0.0 0.0 1
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297281 117614374 1 N4S4O26C55H81 A4B4C26D55E81 -1089.12 13.91 0.0 0.0 0
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297282 117614378 1 N4O4C25H34 A4B4C25D34 -96.2 7.61 -8.88 -0.53 0
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297283 117614380 1 N3O3C28H39 A3B3C28D39 -115.81 8.03 -8.07 0.03 0
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297284 117614432 1 FPN5O9C37H55 ABC5D9E37F55 -454.2 10.02 -9.48 -0.21 0
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297285 117614472 1 ClPSN5O6C34H53 ABCD5E6F34G53 -330.38 5.95 -9.21 -0.57 0
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297286 117614477 1 N3C11H19 A3B11C19 16.43 1.64 -8.82 0.96 0
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297287 117614514 1 O2F3N4C22H25 A2B3C4D22E25 -159.59 4.56 -7.84 -0.57 0
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297288 117614518 1 BrClF2N2O2H12C16 ABC2D2E2F12G16 -112.42 5.75 -9.15 -1.25 0
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297289 117614559 1 N4H34C45 A4B34C45 207.48 3.89 -8.41 -1.06 0
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297290 117614593 2 FOC7H7 ABC7D7 -151.42 3.32 -9.05 -0.42 0
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297291 117614617 1 F2N2H4C9 A2B2C4D9 -9.64 3.41 -10.86 -1.72 0
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297292 117614618 1 N2F8H18C37 A2B8C18D37 -210.62 4.87 -8.04 -1.45 0
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297293 117614630 1 NF5H22C34 AB5C22D34 -133.52 5.08 -8.11 -0.89 0
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297294 117614637 1 N4H30C47 A4B30C47 247.07 6.03 -8.26 -1.64 0
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297295 117614641 1 N3H31C48 A3B31C48 248.43 5.04 -8.28 -1.68 0
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297296 117614643 2 N2H13C22 A2B13C22 255.29 5.99 -8.57 -1.38 0
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297297 117614644 1 O2F3N5H20C22 A2B3C5D20E22 -152.67 4.34 -9.6 -1.41 0
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297298 117614650 1 ClN2H5C9 AB2C5D9 71.09 4.2 -10.24 -1.55 0
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297299 117614658 1 NF5H8C13 AB5C8D13 -182.41 2.87 -8.65 -1.16 0
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297300 117614686 1 N6H28C47 A6B28C47 310.52 2.45 -8.52 -1.59 0
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297301 117614711 2 O3C9H10 A3B9C10 -111.86 5.9 -10.39 -0.71 0
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297302 117614715 1 NF11H16C29 AB11C16D29 -447.42 0.67 -8.25 -1.71 0
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297303 117614754 4 NH7C8 AB7C8 147.6 7.1 -8.73 -1.4 0
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297304 117614785 1 F5H7C13 A5B7C13 -209.74 4.37 -10.01 -0.79 0
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297305 117614786 1 N4H26C29 A4B26C29 139.61 2.79 -8.56 -1.8 0
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297306 117614791 1 SN2O4H20C24 AB2C4D20E24 -38.07 7.74 -9.14 -1.05 0
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297307 117614793 2 N3H14C26 A3B14C26 368.45 4.42 -8.47 -1.48 0
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297308 117614794 2 O4C11H13 A4B11C13 -267.35 2.93 -9.95 -0.55 0
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297309 117614801 1 SN2O4H16C18 AB2C4D16E18 -61.05 9.2 -9.07 -1.18 0
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297310 117614807 1 N2C7H14 A2B7C14 19.13 2.6 -8.25 0.64 0
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297311 117614828 1 OF3N4C20H29 AB3C4D20E29 -162.71 7.0 -8.63 -0.69 0
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297312 117614840 1 INC7H10 ABC7D10 47.82 3.07 -9.45 -1.22 0
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297313 117614844 9 NH5C6 AB5C6 236.32 5.75 -8.59 -1.75 0
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297314 117614933 1 O2N3C22H25 A2B3C22D25 -37.25 5.14 -8.33 -0.16 0
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297315 117614954 1 N2O5C18H18 A2B5C18D18 -165.73 3.72 -9.17 -0.89 0
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297316 117614976 1 ClS2N15O19C93H116 AB2C15D19E93F116 -671.88 25.36 -8.2 -2.14 0
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297317 117614988 1 SO21N24C93H130 AB21C24D93E130 -658.58 13.78 -8.12 -1.51 0
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297318 117615009 2 ON4C8H14 AB4C8D14 32.46 0.56 -8.06 -0.51 0
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297319 117615025 1 NF2O3H15C17 AB2C3D15E17 -180.68 4.44 -9.56 -0.68 0
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297320 117615036 1 ClNO5H12C16 ABC5D12E16 -168.12 3.44 -10.44 -1.52 0