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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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338495 127259187 1 ClNO3C8H8 ABC3D8E8 -106.77 2.72 -9.57 -0.53 0
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338496 127259188 1 ClN2O5C11H13 AB2C5D11E13 -128.22 4.69 -10.32 -1.75 0
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338497 127259189 1 ClO2N4C8H9 AB2C4D8E9 -9.55 5.28 -9.1 -1.08 0
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338498 127259190 1 N2O5C13H16 A2B5C13D16 -108.46 7.74 -10.01 -1.61 0
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338499 127259191 1 N3O6C8H9 A3B6C8D9 -127.27 2.11 -10.83 -1.4 0
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338500 127259192 1 N3O5C10H11 A3B5C10D11 -104.16 2.19 -9.69 -1.38 0
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338501 127259193 1 ClO5H11C13 AB5C11D13 -186.94 6.84 -9.74 -1.26 0
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338502 127259194 1 O6C15H16 A6B15C16 -228.35 8.83 -9.31 -0.77 0
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338503 127259195 2 O3C7H7 A3B7C7 -221.15 8.82 -9.37 -0.82 0
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338504 127259196 3 O2H4C5 A2B4C5 -177.1 5.57 -8.86 -1.31 0
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338505 127259197 2 ON2H6C7 AB2C6D7 29.47 2.5 -8.44 -0.99 0
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338506 127259198 1 NSO2C11H23 ABC2D11E23 -125.06 2.25 -8.88 0.31 0
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338507 127259199 1 ClN2O3H11C13 AB2C3D11E13 -52.9 3.08 -9.05 -1.45 0
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338508 127259200 1 ClN2O3H9C11 AB2C3D9E11 -70.7 3.22 -9.02 -1.16 0
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338509 127259201 1 O3N4C5H10 A3B4C5D10 -88.11 2.22 -9.56 0.05 0
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338510 127259202 1 SN3O3C12H15 AB3C3D12E15 -103.43 4.5 -8.97 -0.32 0
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338511 127259203 1 NSO4C11H13 ABC4D11E13 -156.0 3.24 -9.03 -0.59 0
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338512 127259204 1 NSO4C11H15 ABC4D11E15 -151.92 4.01 -9.08 0.05 0
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338513 127259205 1 SO2C16H16 AB2C16D16 -47.06 1.71 -8.95 -0.35 0
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338514 127259206 1 NO5C11H21 AB5C11D21 -258.38 3.61 -10.0 0.53 0
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338515 127259207 1 NO5C17H25 AB5C17D25 -238.15 4.42 -8.63 0.29 0
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338516 127259208 1 SiO3C10H22 AB3C10D22 -214.12 2.31 -8.84 0.55 0
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338517 127259209 1 SiO3C9H20 AB3C9D20 -213.44 1.79 -8.87 0.59 0
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338518 127259210 1 SiO3C15H24 AB3C15D24 -186.5 2.37 -8.86 -0.08 0
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338519 127259211 1 NO3C13H17 AB3C13D17 -78.52 6.4 -9.91 -0.38 0
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338520 127259212 1 NO4C12H15 AB4C12D15 -126.58 3.96 -8.8 0.07 0
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338521 127259213 1 ClN2O3H13C15 AB2C3D13E15 -69.7 4.91 -8.88 -0.95 0
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338522 127259214 1 SN2O4C17H20 AB2C4D17E20 -128.82 3.97 -8.57 -0.08 0
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338523 127259215 1 SN2O3C12H18 AB2C3D12E18 -115.05 2.88 -8.45 0.1 0
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338524 127259216 1 SN2O4C11H16 AB2C4D11E16 -154.04 2.21 -8.41 -0.06 0
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338525 127259217 1 ClNO3C5H6 ABC3D5E6 -72.05 5.4 -9.67 -1.15 0
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338526 127259218 1 N2O2S2C9H12 A2B2C2D9E12 -44.57 6.4 -8.9 -1.53 0
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338527 127259219 1 NSO4C12H17 ABC4D12E17 -156.88 4.0 -8.45 -0.21 0
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338528 127259220 1 SO5C8H14 AB5C8D14 -228.98 0.63 -9.62 -0.58 0
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338529 127259221 1 NSO5C11H13 ABC5D11E13 -179.87 5.37 -10.12 -0.81 0
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338530 127259222 1 SN2O6C17H18 AB2C6D17E18 -131.48 3.34 -9.63 -1.05 0
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338531 127259246 1 NSO3C10H19 ABC3D10E19 -157.52 3.43 -9.31 -0.24 0
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338532 127259247 1 SN2O3C9H12 AB2C3D9E12 -62.89 2.65 -8.94 -0.65 0
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338533 127259248 1 SN2O2C10H12 AB2C2D10E12 -30.58 2.29 -8.47 -0.28 0
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338534 127259249 1 NO4C12H13 AB4C12D13 -128.67 5.11 -9.61 -0.48 0
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338535 127259250 1 NSO3C8H15 ABC3D8E15 -119.21 4.73 -8.48 0.24 0
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338536 127259251 1 Cl2N2O5H6C9 A2B2C5D6E9 -65.66 5.22 -10.56 -2.05 0
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338537 127259252 1 NCl2O3H9C10 AB2C3D9E10 -79.71 3.25 -9.79 -0.79 0
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338538 127259253 1 SN2O2C11H12 AB2C2D11E12 -13.33 5.82 -8.65 -0.67 0
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338539 127259254 1 SCl2O4H10C14 AB2C4D10E14 -122.52 6.22 -9.4 -1.06 0
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338540 127259255 1 Cl2O5H16C18 A2B5C16D18 -170.91 6.8 -9.25 -0.62 0
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338541 127259256 1 Cl3O4H9C11 A3B4C9D11 -168.13 6.26 -9.73 -1.32 0
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338542 127259257 1 SCl2O5H8C13 AB2C5D8E13 -149.68 2.53 -8.85 -1.56 0
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338543 127259258 1 NO3C17H21 AB3C17D21 -105.17 2.22 -8.69 -0.46 0
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338544 127259259 1 NO6C14H17 AB6C14D17 -167.37 8.18 -9.95 -1.26 0
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338545 127259260 1 N2O2C13H20 A2B2C13D20 -72.75 4.13 -9.25 0.21 0
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338546 127259261 1 O4C17H22 A4B17C22 -155.6 1.39 -8.72 0.38 0
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338547 127259262 1 ClO4H17C18 AB4C17D18 -133.09 3.87 -9.05 -0.83 0
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338548 127259263 1 O5C13H16 A5B13C16 -197.86 1.98 -9.31 -0.04 0
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338549 127259264 1 NO4C12H13 AB4C12D13 -132.77 5.4 -9.61 -0.67 0
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338550 127259265 1 NO4C13H17 AB4C13D17 -166.12 7.33 -9.29 -0.34 0
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338551 127259562 1 NSO2C8H9 ABC2D8E9 -53.57 1.25 -9.97 -1.18 0
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338552 127259563 1 NO2C13H17 AB2C13D17 -52.61 4.42 -9.75 -0.65 0
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338553 127259564 1 ON2C8H16 AB2C8D16 -26.98 3.95 -9.32 0.8 0
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338554 127259565 1 N3C17H21 A3B17C21 65.8 3.19 -8.67 -0.2 0
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338555 127259566 1 N2O3H8C10 A2B3C8D10 1.88 3.85 -8.97 -0.78 0
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338556 127259567 1 ON2C9H12 AB2C9D12 -11.08 3.74 -9.0 -0.21 0
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338557 127259568 2 ClNOC7H8 ABCD7E8 -13.26 1.32 -9.64 -0.71 0
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338558 127259569 1 ClN2O2C15H19 AB2C2D15E19 -12.67 3.48 -9.68 -0.48 0
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338559 127259570 1 ON2F3H9C11 AB2C3D9E11 -102.21 1.45 -9.66 -0.73 0
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338560 127259571 1 SN2O2C16H22 AB2C2D16E22 -2.06 3.5 -8.51 -0.18 0
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338561 127259572 1 N2C13H14 A2B13C14 58.28 7.02 -8.74 0.13 0
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338562 127259573 1 BrSN4C9H9 ABC4D9E9 84.7 7.58 -9.13 -1.15 0
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338563 127259574 1 ClSN4C9H9 ABC4D9E9 82.29 7.56 -9.14 -1.15 0
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338564 127259575 1 ISN4C9H9 ABC4D9E9 105.95 7.73 -9.06 -1.91 0
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338565 127259576 1 O5C16H16 A5B16C16 -143.45 3.34 -8.39 -0.57 0
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338566 127259577 1 NO2H23C27 AB2C23D27 30.85 2.85 -8.33 -0.65 0
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338567 127259578 1 NH25C26 AB25C26 62.94 2.9 -8.7 -0.03 0
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338568 127259579 1 N2H22C25 A2B22C25 103.2 6.27 -8.09 -0.99 0
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338569 127259580 1 O4N5C10H13 A4B5C10D13 -97.76 9.5 -9.19 -0.75 -1