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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128294 51037839 1 ClF3N3H11C16 AB3C3D11E16 -89.31 3.17 -9.15 -1.18 0
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128295 51037967 1 OF3N5C20H20 AB3C5D20E20 -123.28 4.33 -8.6 -0.68 0
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128296 51037968 1 O2F3N4H19C20 A2B3C4D19E20 -159.77 7.77 -8.58 -0.74 0
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128297 51038006 1 SN4O5H20C22 AB4C5D20E22 -77.27 7.26 -8.98 -1.25 0
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128298 51038007 2 SN2O2H10C11 AB2C2D10E11 -48.28 3.27 -8.77 -1.07 0
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128299 51038008 1 ClS2N4O4H19C22 AB2C4D4E19F22 -54.75 6.18 -8.89 -1.3 0
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128301 51038186 1 ClS2O3H13C16 AB2C3D13E16 -91.21 3.22 -8.94 -1.14 0
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128302 51038267 1 OF3N6H19C27 AB3C6D19E27 0.92 6.12 -9.16 -1.54 0
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128303 51038373 2 N2O3C15H19 A2B3C15D19 -241.37 6.31 -8.66 -0.36 0
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128304 51038489 1 ClOSF3N3H9C14 ABCD3E3F9G14 -122.62 5.51 -8.76 -1.55 0
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128305 51038490 1 SO2F3N3H12C18 AB2C3D3E12F18 -134.82 5.64 -8.81 -1.56 0
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128306 51038491 1 ClOSF3N3H11C18 ABCD3E3F11G18 -103.31 3.25 -8.44 -1.01 1
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128307 51038551 1 F4O4N10H29C31 A4B4C10D29E31 -84.8 13.46 0.0 0.0 0
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128308 51038566 1 O8N9C44H55 A8B9C44D55 -271.92 7.33 -8.72 -1.05 0
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128309 51038584 1 F2N2O3C29H36 A2B2C3D29E36 -180.23 4.27 -8.87 -0.43 0
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128310 51038671 1 N2Br4O4C21H22 A2B4C4D21E22 -124.09 4.48 -8.81 -1.9 0
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128311 51038680 1 S2O4N5H21C23 A2B4C5D21E23 -40.27 2.24 -9.21 -0.91 0
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128314 51038782 1 O4N7C36H45 A4B7C36D45 -129.75 4.54 -8.48 -0.73 0
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128315 51038819 2 N3O4C18H24 A3B4C18D24 -334.6 12.55 -9.02 -0.71 0
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128316 51038820 1 N3F5H14C20 A3B5C14D20 -158.07 10.5 -8.95 -1.01 0
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128317 51038836 1 N3O4H23C26 A3B4C23D26 -32.5 5.74 -8.91 -0.79 0
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128318 51038843 1 FO3N6C21H23 AB3C6D21E23 -73.07 4.51 -8.68 -1.01 0
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128319 51038910 1 NOC11H19 ABC11D19 -81.77 3.0 -9.12 2.7 0
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128320 51039057 1 ClO2N4C12H13 AB2C4D12E13 -49.8 7.65 -9.09 -0.72 0
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128321 51039243 1 ClFSN2H4C12 ABCD2E4F12 103.46 3.36 -9.54 -1.6 0
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128322 51039286 1 O2C19H22 A2B19C22 7.82 3.0 -9.4 -0.28 0
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128323 51039386 1 NPO5C20H22 ABC5D20E22 -182.76 2.41 -8.94 -0.49 0
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128324 51039472 2 NOC9H11 ABC9D11 -47.84 6.17 -9.62 -0.28 0
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128325 51039525 1 ON4C22H24 AB4C22D24 79.85 6.74 -8.96 -1.04 0
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128326 51039726 1 N2O4H16C17 A2B4C16D17 -113.44 6.16 -8.7 -0.79 0
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128327 51039859 1 O4N6C15H22 A4B6C15D22 -164.56 1.8 -9.52 -0.7 0
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128328 51039955 1 FNO6C12H12 ABC6D12E12 -275.52 2.85 -9.58 -1.41 0
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128329 51039956 1 BrNO6C12H12 ABC6D12E12 -232.06 1.33 -9.38 -1.2 0
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128330 51039957 1 N2O4C19H20 A2B4C19D20 -127.95 7.31 -8.49 -0.66 0
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128331 51039958 2 NO2C9H9 AB2C9D9 -120.86 7.51 -8.53 -0.71 0
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128332 51039959 1 FN2O4H17C18 AB2C4D17E18 -159.81 6.07 -8.57 -0.84 0
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128333 51040075 1 ON4C13H16 AB4C13D16 25.11 6.26 -8.76 -0.82 0
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128334 51040140 1 O2C19H28 A2B19C28 -47.89 3.07 -9.34 0.36 0
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128335 51040141 1 O4C19H30 A4B19C30 -187.2 5.16 -9.26 0.43 0
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128336 51040203 1 ClN9C29H34 AB9C29D34 102.23 7.03 -8.49 -0.79 0
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128337 51040424 1 O2F3H15C17 A2B3C15D17 -166.34 5.03 -9.32 -1.25 0
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128338 51040471 1 O6C19H22 A6B19C22 -200.77 2.65 -8.42 -0.18 0
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128339 51040536 2 SF2N3O4C23H26 AB2C3D4E23F26 -419.38 10.23 -8.54 -0.95 0
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128340 51040537 2 OSC10H10 ABC10D10 38.72 0.53 -9.01 -0.21 0
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128341 51040538 2 OC11H12 AB11C12 -13.96 2.43 -9.32 0.08 0
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128342 51040636 1 NO2C16H21 AB2C16D21 -55.54 5.28 -8.2 -0.51 0
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128343 51040689 1 O5C24H32 A5B24C32 -230.97 7.52 -8.94 -1.02 0
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128344 51040690 1 O11N14C39H46 A11B14C39D46 -267.11 9.21 -8.87 -1.39 0
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128345 51040746 1 OCl2N6C23H28 AB2C6D23E28 11.41 5.03 -8.93 -0.58 0
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128346 51040754 1 OSN4H12C13 ABC4D12E13 34.74 4.13 -8.11 -0.7 0
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128347 51040768 1 F3O3N6H21C22 A3B3C6D21E22 -174.38 4.58 -8.89 -1.16 0
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128348 51040769 1 F3O3N5C24H24 A3B3C5D24E24 -178.05 6.54 -8.69 -1.03 0
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128349 51040883 1 ClFN3O3C22H23 ABC3D3E22F23 -93.17 6.61 -9.21 -1.24 0
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128350 51040885 1 Cl2N3O3C22H23 A2B3C3D22E23 -43.18 6.28 -8.72 -1.4 0
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128351 51040975 1 O2F3N6H21C22 A2B3C6D21E22 -128.43 8.92 -8.99 -1.17 0
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128352 51040993 1 O2N7H15C18 A2B7C15D18 164.13 5.5 -9.36 -1.64 0
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128353 51040994 1 O7C22H24 A7B22C24 -259.68 7.03 -10.24 -1.04 0
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128354 51040995 1 O9H26C29 A9B26C29 -303.57 6.5 -9.94 -0.81 0
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128355 51040996 1 N5O7H29C33 A5B7C29D33 -152.09 5.22 -8.99 -0.81 0
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128356 51041052 1 ClON9C32H34 ABC9D32E34 93.31 5.57 -8.58 -0.88 0
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128357 51041133 2 ON4H18C20 AB4C18D20 95.62 8.17 -8.4 -0.84 0
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128358 51041134 2 O3N4C22H26 A3B4C22D26 -186.64 2.53 -8.67 -0.54 0
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128359 51041135 2 O3N4C22H26 A3B4C22D26 -193.46 3.25 -8.47 -0.38 0
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128360 51041136 2 O3N4C23H28 A3B4C23D28 -204.62 4.69 -8.62 -0.68 0
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128361 51041137 1 SN2F4O4C22H24 AB2C4D4E22F24 -341.34 8.2 -9.14 -1.42 0
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128362 51041187 2 NOSiH41C46 ABCD41E46 169.79 2.25 -8.48 -0.95 0
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128363 51041240 1 OCl2N2C12H18 AB2C2D12E18 -81.07 6.09 -9.54 -0.16 0
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128364 51041241 1 ClON2C12H17 ABC2D12E17 -46.35 4.59 -9.41 -0.39 0
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128365 51041242 1 ClON2C7H17 ABC2D7E17 -105.77 4.0 -9.69 1.08 0
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128366 51041496 1 Cl2O4C23H26 A2B4C23D26 -170.64 3.11 -9.58 -0.16 0
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128367 51041515 1 ClSO3N5C21H22 ABC3D5E21F22 8.52 3.64 -8.88 -1.48 0
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128368 51041639 1 O3N4C20H30 A3B4C20D30 -109.14 3.07 -8.59 -0.57 0
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128369 51041640 1 NOCl2C18H23 ABC2D18E23 -46.79 2.36 -9.18 -0.13 0
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128370 51041687 1 NO3H21C24 AB3C21D24 -22.23 3.93 -9.12 -0.88 0
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128371 51041688 1 NF3O3H18C24 AB3C3D18E24 -175.69 6.45 -9.52 -1.13 0
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128372 51041784 1 ClN17O17C84H106 AB17C17D84E106 -616.39 10.1 -8.41 -0.93 0
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128373 51041839 1 ClOF2N6H23C27 ABC2D6E23F27 19.77 5.28 -9.09 -1.04 0
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128374 51042076 1 NOSC23H33 ABCD23E33 8.53 1.84 -9.27 -1.26 0
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128375 51042077 1 NSO2C18H23 ABC2D18E23 -46.83 2.73 -8.64 -1.24 0
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128376 51042078 1 NSO3C22H37 ABC3D22E37 -154.45 1.18 -10.11 -1.5 0
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128377 51042079 1 NSO3C17H19 ABC3D17E19 -76.4 1.24 -9.36 -1.57 0
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128378 51042080 1 NSO2C20H27 ABC2D20E27 -57.94 3.67 -8.59 -1.26 0
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128379 51042081 1 NSO2C21H29 ABC2D21E29 -61.91 3.64 -8.39 -1.44 0
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128380 51042082 1 FNOSC19H32 ABCDE19F32 -109.46 3.86 -9.98 -1.45 0
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128381 51042083 1 NSC17H19 ABC17D19 57.5 3.07 -9.25 -0.33 0
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128382 51042084 1 SC19H24 AB19C24 65.14 2.45 -8.46 -0.06 0
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128383 51042159 1 SN2O4H16C20 AB2C4D16E20 -72.88 6.28 -8.86 -1.49 0
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128384 51042160 1 SCl2N2O2H14C20 AB2C2D2E14F20 39.4 4.1 -9.06 -1.44 0
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128385 51042166 1 NO3C12H13 AB3C12D13 -86.4 5.18 -8.4 -0.19 0
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128386 51042242 1 O2N5H15C17 A2B5C15D17 27.1 3.72 -8.83 -0.82 0
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128387 51042243 2 O3N4C20H24 A3B4C20D24 -180.6 6.3 -8.65 -0.34 0
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128388 51042266 1 ClFO4N5H29C30 ABC4D5E29F30 -112.88 11.97 -8.6 -0.98 0
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128389 51042267 1 Cl2N2F3O4H25C28 A2B2C3D4E25F28 -284.87 9.45 -9.61 -0.67 0
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128390 51042575 1 N5O6C23H27 A5B6C23D27 -148.33 10.38 -8.79 -0.95 0
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128391 51042616 1 NPO4C23H28 ABC4D23E28 -183.05 5.25 -8.7 -1.0 0
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128392 51042617 1 OSN5H25C31 ABC5D25E31 147.73 6.7 -8.6 -0.57 0
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128393 51042618 1 SN5H25C31 AB5C25D31 179.19 6.1 -8.64 -0.58 0
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128394 51042619 1 FSN5H22C30 ABC5D22E30 142.24 3.72 -8.66 -0.99 0
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128395 51042657 2 O2C8H9 A2B8C9 -120.1 3.8 -8.59 -0.18 0
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128396 51042754 1 SO3N4C10H12 AB3C4D10E12 -57.12 3.18 -9.28 -1.4 0