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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394229 135022564 1 NPO6C17H24 ABC6D17E24 -311.83 3.23 -8.83 -0.14 0
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394230 135022565 1 NPO2H24C25 ABC2D24E25 -45.73 6.83 -8.49 -0.11 0
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394231 135022566 1 O3C17H24 A3B17C24 -140.73 2.79 -8.5 0.32 0
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394232 135022567 1 NO3F6C20H21 AB3C6D20E21 -447.45 8.59 -9.42 -1.17 0
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394233 135022568 1 NO2C18H19 AB2C18D19 -45.86 2.33 -8.44 0.15 0
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394234 135022569 1 NO3C20H21 AB3C20D21 -73.91 1.85 -9.21 -0.36 0
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394235 135022570 1 NO2F3C23H28 AB2C3D23E28 -270.36 2.67 -9.44 -0.09 0
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394236 135022571 1 N2F3O4C23H25 A2B3C4D23E25 -309.92 8.13 -9.64 -0.49 0
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394237 135022572 1 NSO2C21H29 ABC2D21E29 -70.0 6.04 -8.22 -0.52 0
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394238 135022573 1 NSO2C23H25 ABC2D23E25 -22.01 5.8 -8.3 -0.53 0
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394239 135022574 1 NSO5C18H21 ABC5D18E21 -153.11 7.22 -8.85 -0.73 0
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394240 135022605 1 ON4H28C31 AB4C28D31 163.65 12.06 -7.06 -2.21 1
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394241 135022607 1 ON4H23C25 AB4C23D25 116.48 5.06 0.0 0.0 0
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394242 135022609 1 NO2C18H21 AB2C18D21 -37.39 2.77 -9.11 0.32 0
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394243 135022613 1 S2O7C24H24 A2B7C24D24 -241.47 8.84 -8.49 -0.67 0
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394244 135022614 1 N6O8C31H40 A6B8C31D40 -248.2 9.37 -9.05 -0.46 0
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394245 135022623 1 OH22C25 AB22C25 52.18 0.69 -8.68 0.31 0
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394246 135022628 1 SN6O8C53H66 AB6C8D53E66 -312.6 4.54 -8.54 -0.12 0
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394247 135022630 1 O4H14C15 A4B14C15 -94.33 5.05 -8.83 -0.16 0
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394248 135022631 1 NSBr2O2H13C18 ABC2D2E13F18 3.59 4.25 -9.75 -0.98 0
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394249 135022632 1 BrNSO2H14C21 ABCD2E14F21 28.0 5.57 -9.3 -0.98 0
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394250 135022633 1 BrSN2O4H11C17 ABC2D4E11F17 9.89 6.13 -10.11 -1.88 0
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394251 135022636 1 NSSiO2C27H33 ABCD2E27F33 -64.46 6.8 -9.01 -0.34 -1
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394252 135022642 1 CO2N5 AB2C5 152.15 0.03 0.0 0.0 0
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394253 135022643 1 SCl2C18H28 AB2C18D28 -52.89 2.49 -8.98 -0.76 0
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394254 135022644 2 NOC14H14 ABC14D14 65.52 5.91 -7.42 -0.99 0
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394256 135022646 1 SiO5C21H38 AB5C21D38 -274.94 1.46 -8.92 0.27 0
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394257 135022647 1 SO6H14C22 AB6C14D22 -136.26 10.0 -8.8 -0.95 0
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394258 135022648 1 NO6H33C36 AB6C33D36 -146.27 9.37 -8.48 -0.97 0
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394259 135022649 1 NO6H27C36 AB6C27D36 -90.24 9.72 -8.23 -0.9 0
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394260 135022650 2 SO3H9C13 AB3C9D13 -114.7 8.08 -8.96 -1.09 0
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394261 135022651 1 NO4H29C34 AB4C29D34 -68.53 2.03 -8.56 -0.87 0
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394262 135022652 2 SO2H7C12 AB2C7D12 -40.27 9.44 -9.47 -1.24 0
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394263 135022653 1 S3O4H18C32 A3B4C18D32 5.73 0.83 -8.64 -1.7 0
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394264 135022654 1 NO4H23C34 AB4C23D34 -14.51 10.55 -8.29 -0.9 0
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394265 135022655 1 NO6H27C42 AB6C27D42 -61.51 5.28 -8.39 -0.96 -1
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394266 135022656 1 AlNS2F6O6H23C35 ABC2D6E6F23G35 -476.78 7.3 0.0 0.0 0
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394267 135022660 1 S2Br3H7C15 A2B3C7D15 134.49 3.5 -8.79 -1.56 0
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394268 135022661 1 ON2H28C36 AB2C28D36 159.22 2.69 -8.17 -0.43 0
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394269 135022663 1 NO2C7H11 AB2C7D11 -39.53 17.22 -8.44 -0.74 0
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394270 135022664 1 SN2O12C27H34 AB2C12D27E34 -505.82 5.04 -9.1 -0.65 0
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394271 135022665 1 SN2O12C24H30 AB2C12D24E30 -519.7 4.13 -9.28 -0.81 0
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394272 135022666 1 NO15C26H37 AB15C26D37 -693.59 7.69 -10.12 -0.16 0
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394273 135022667 1 NO15C27H39 AB15C27D39 -699.11 7.47 -10.11 -0.15 0
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394274 135022668 1 NO15C30H43 AB15C30D43 -709.59 1.54 -10.0 -0.44 0
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394275 135022669 1 NO3C19H23 AB3C19D23 -108.53 2.54 -9.3 -0.17 0
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394276 135022670 1 NO3C21H27 AB3C21D27 -108.6 2.65 -9.17 -0.23 0
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394277 135022671 1 O2H14C17 A2B14C17 -1.53 3.4 -8.98 -0.65 0
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394278 135022672 1 O14C65H70 A14B65C70 -403.17 7.85 -9.28 -0.78 0
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394279 135022673 1 NO9C23H33 AB9C23D33 -333.12 4.68 -9.62 -0.24 0
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394280 135022674 1 NO9C23H33 AB9C23D33 -352.0 6.04 -9.53 -0.06 0
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394281 135022675 1 BrO13C30H43 AB13C30D43 -535.34 4.13 -9.66 -0.51 0
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394283 135022677 1 BrO8C25H29 AB8C25D29 -293.56 3.92 -9.8 -0.79 0
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394284 135022678 1 O8C25H29 A8B25C29 -264.15 4.87 0.0 0.0 0
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394285 135022679 1 O5C15H18 A5B15C18 -179.75 1.79 -9.3 -0.31 0
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394286 135022680 1 SiO6C18H32 AB6C18D32 -330.06 2.13 -8.74 -0.4 0
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394287 135022681 1 O6C15H20 A6B15C20 -253.1 4.16 -9.64 -0.35 0
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394288 135022682 1 O5N9H33C41 A5B9C33D41 35.99 12.1 -8.82 -1.64 0
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394289 135022683 1 O3N5H25C31 A3B5C25D31 75.8 9.73 -8.67 -1.73 0
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394290 135022685 2 NF3H6C11 AB3C6D11 -214.27 5.48 -9.69 -1.69 0
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394291 135022686 1 NSO2C29H29 ABC2D29E29 -14.03 6.05 -8.81 -0.39 0
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394292 135022687 1 NSO2C27H29 ABC2D27E29 -5.73 6.1 -9.08 -0.36 0
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394293 135022688 1 OC13H16 AB13C16 -0.96 3.69 -9.62 0.78 0
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394294 135022690 1 BrN6C20H31 AB6C20D31 61.1 3.67 -8.71 -0.01 0
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394295 135022691 2 NO3C12H19 AB3C12D19 -322.34 4.54 -9.27 0.13 0
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394296 135022706 2 N3O5C28H34 A3B5C28D34 -390.02 4.99 -8.3 0.13 0
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394297 135022718 1 SN2O4H10C14 AB2C4D10E14 -39.52 4.98 -9.56 -1.87 0
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394298 135022725 1 NOC22H23 ABC22D23 31.65 3.45 -8.61 0.22 0
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394299 135022730 1 NO5C30H33 AB5C30D33 -64.02 3.35 -9.32 -0.03 0
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394300 135022732 1 NPO3C24H24 ABC3D24E24 -84.63 2.47 -8.07 -0.13 0
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394301 135022735 1 NPO2H20C22 ABC2D20E22 -40.29 2.23 -8.61 -0.19 0
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394302 135022736 1 NPO2C24H24 ABC2D24E24 -50.36 5.91 -8.82 -0.22 0
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394303 135022741 3 OC6H8 AB6C8 -132.09 3.33 -8.69 0.25 0
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394304 135022742 1 BrO3C22H25 AB3C22D25 -100.99 4.37 -8.82 -0.15 0
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394305 135022743 1 O3C19H22 A3B19C22 -99.19 1.74 -8.74 0.14 0