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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35250 7979585 1 SN2O5C20H24 AB2C5D20E24 -178.0 5.93 -9.39 -1.05 0
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35251 7979586 1 SN3O6C19H29 AB3C6D19E29 -258.96 4.8 -10.0 -1.17 0
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35252 7979587 1 SN3O6C19H29 AB3C6D19E29 -246.66 4.6 -10.15 -1.34 0
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35253 7979588 2 NSO2C9H11 ABC2D9E11 -134.98 6.45 -9.43 -0.68 0
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35254 7979589 1 FSN2O5C19H21 ABC2D5E19F21 -215.33 2.4 -9.95 -1.04 0
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35255 7979590 1 SN3O5C19H21 AB3C5D19E21 -150.01 7.75 -9.22 -0.89 0
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35256 7979592 1 S2N3O4C19H23 A2B3C4D19E23 -126.75 7.33 -9.09 -1.0 0
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35257 7979593 1 ClSN2O6C14H17 ABC2D6E14F17 -246.93 3.99 -8.76 -0.33 0
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35258 7979594 1 ClSN2O6C14H17 ABC2D6E14F17 -246.05 12.74 -9.24 -0.85 0
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35259 7979595 1 SN3O6C17H25 AB3C6D17E25 -247.37 3.88 -10.06 -0.99 0
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35260 7979596 1 SN3O6C18H27 AB3C6D18E27 -254.25 6.74 -9.94 -1.12 0
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35261 7979597 1 SN3O5C18H21 AB3C5D18E21 -155.69 7.89 -9.37 -0.66 0
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35262 7979598 1 SN3O6C18H27 AB3C6D18E27 -254.38 7.25 -9.92 -1.24 0
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35263 7979599 1 N2S2O5C17H20 A2B2C5D17E20 -156.82 5.64 -9.43 -0.82 0
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35264 7979600 1 SN3O6C18H27 AB3C6D18E27 -245.39 4.48 -9.77 -0.99 0
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35265 7979601 1 SN2O4C11H16 AB2C4D11E16 -153.5 6.99 -9.49 -0.68 0
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35266 7979602 1 SN3O6C18H27 AB3C6D18E27 -258.32 6.71 -10.01 -1.22 0
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35267 7979603 1 SN3O4C21H29 AB3C4D21E29 -170.44 6.89 -9.48 -0.71 0
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35268 7979604 1 SN3O6C15H21 AB3C6D15E21 -231.86 5.11 -10.05 -1.0 0
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35269 7979606 1 SN3O3C15H21 AB3C3D15E21 -71.29 4.86 -8.64 -0.64 0
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35270 7979607 1 SN3O6C18H27 AB3C6D18E27 -252.75 2.84 -9.99 -1.21 0
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35271 7979608 1 ClSN2O4C19H23 ABC2D4E19F23 -140.77 7.66 -8.76 -0.78 0
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35272 7979609 1 SN2O5C20H24 AB2C5D20E24 -166.03 8.65 -9.4 -0.65 0
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35273 7979610 1 SN3O6C19H27 AB3C6D19E27 -244.9 3.77 -9.79 -1.04 0
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35274 7979611 1 SN2O4C20H24 AB2C4D20E24 -138.56 11.29 -9.29 -0.83 0
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35275 7979612 1 SN3O6C19H27 AB3C6D19E27 -242.43 5.14 -9.63 -1.05 0
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35276 7979613 1 SN2O3C18H28 AB2C3D18E28 -137.68 6.72 -9.43 -0.56 0
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35277 7979614 1 SN3O5C15H19 AB3C5D15E19 -164.82 4.4 -10.15 -1.12 0
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35278 7979615 1 SN3O4C15H21 AB3C4D15E21 -79.97 4.11 -8.3 -1.7 -1
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35279 7979618 1 ClN2O5H10C16 AB2C5D10E16 -39.57 5.58 0.0 0.0 0
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35280 7979620 1 SN3O5C15H19 AB3C5D15E19 -163.75 3.91 -10.18 -1.17 0
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35281 7979623 1 SN2O5H16C18 AB2C5D16E18 -132.52 11.92 -9.25 -2.04 0
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35282 7979624 1 SN3O6C18H25 AB3C6D18E25 -220.1 2.27 -10.0 -1.07 0
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35283 7979626 1 FSN2O4C19H19 ABC2D4E19F19 -118.78 2.3 -8.38 -0.92 0
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35284 7979628 1 ClSN3O4C18H20 ABC3D4E18F20 -132.36 6.51 -9.42 -0.94 0
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35285 7979629 1 SN2O5C19H28 AB2C5D19E28 -217.3 3.12 -10.13 -1.13 0
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35286 7979630 1 SN2O4C18H20 AB2C4D18E20 -116.12 6.87 -9.45 -0.86 0
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35287 7979632 1 FSN2O5C19H21 ABC2D5E19F21 -211.12 5.58 -9.93 -1.03 0
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35288 7979633 1 S2N3O3C18H19 A2B3C3D18E19 -58.63 11.44 -9.22 -1.24 0
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35289 7979634 1 SN3O5C20H21 AB3C5D20E21 -134.64 9.89 -10.21 -1.2 0
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35290 7979635 1 NF3O3H14C16 AB3C3D14E16 -244.35 2.45 -8.83 -1.01 0
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35291 7979637 1 NO3H19C21 AB3C19D21 -57.07 4.31 -8.65 -0.41 0
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35292 7979638 1 SN2O6C15H20 AB2C6D15E20 -230.61 8.03 -10.17 -1.13 0
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35293 7979640 1 SN2O6C18H26 AB2C6D18E26 -246.24 6.57 -10.08 -1.07 0
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35294 7979641 1 SN3O6C17H23 AB3C6D17E23 -215.65 4.14 -9.95 -1.18 0
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35295 7979642 1 SN3O6C18H25 AB3C6D18E25 -237.01 8.33 -9.94 -0.89 0
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35296 7979645 1 N3O5C17H17 A3B5C17D17 -99.88 8.89 -8.81 -1.53 0
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35297 7979646 1 SN2O6C20H22 AB2C6D20E22 -194.54 8.14 -10.09 -1.06 -1
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35298 7979649 1 NO4H12C16 AB4C12D16 -22.73 17.02 0.0 0.0 0
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35299 7979652 1 BrClNO3H13C15 ABCD3E13F15 -89.17 2.8 -8.68 -0.66 0
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35300 7979653 1 BrNSO2H14C15 ABCD2E14F15 -44.43 5.0 -8.59 -0.6 0
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35301 7979654 1 FNSO5H18C20 ABCD5E18F20 -194.89 3.49 -9.32 -0.81 0
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35302 7979655 1 SN3O5C19H23 AB3C5D19E23 -179.39 4.64 -8.6 -0.51 0
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35303 7979656 1 ClNO3C19H22 ABC3D19E22 -123.36 3.02 -8.7 -0.28 0
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35304 7979657 1 BrClN2O4H14C16 ABC2D4E14F16 -50.24 4.17 -9.58 -1.84 0
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35305 7979658 1 N2O3H20C21 A2B3C20D21 -78.75 3.6 -8.62 -0.55 0
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35306 7979661 1 ClN3O5C19H20 AB3C5D19E20 -104.33 4.36 -8.68 -1.66 0
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35307 7979662 1 F2N2O4H16C17 A2B2C4D16E17 -237.09 4.56 -8.54 -0.98 0
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35308 7979663 1 ClSN2O6C13H15 ABC2D6E13F15 -165.69 8.87 -10.09 -1.99 0
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35309 7979665 1 ClSN2O6C13H15 ABC2D6E13F15 -169.01 4.85 -9.63 -1.52 0
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35310 7979667 1 ClN3O6H14C16 AB3C6D14E16 -57.3 4.82 -9.79 -1.62 0
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35311 7979668 1 NO2S2C17H17 AB2C2D17E17 -41.96 3.83 -8.43 -0.61 0
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35312 7979672 1 ClN2O4C18H19 AB2C4D18E19 -65.89 2.4 -9.21 -1.75 0
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35313 7979674 1 ClN2O4C18H19 AB2C4D18E19 -65.42 2.71 -9.46 -1.59 0
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35314 7979676 1 ClN2O3H15C16 AB2C3D15E16 -98.18 4.64 -8.51 -0.94 0
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35315 7979677 1 ClN3O5C12H12 AB3C5D12E12 -91.31 10.13 -9.53 -1.33 0
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35316 7979678 1 NO3C18H21 AB3C18D21 -108.8 4.5 -8.57 -0.04 0
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35317 7979679 1 ClN3O5C17H20 AB3C5D17E20 -118.79 5.66 -9.54 -1.51 0
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35318 7979680 1 ClFSN2O3H16C19 ABCD2E3F16G19 -122.29 5.68 -8.7 -1.67 0
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35319 7979682 1 FCl2N2O4H9C14 AB2C2D4E9F14 -94.48 4.69 -9.32 -1.86 0
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35320 7979684 1 NCl2O3H13C15 AB2C3D13E15 -100.68 3.11 -8.69 -0.57 0
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35321 7979685 1 ClN2O4C16H17 AB2C4D16E17 -61.32 12.29 -9.1 -1.06 0
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35322 7979687 1 ClFN2O4H12C15 ABC2D4E12F15 -92.61 4.43 -9.69 -1.81 0
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35323 7979688 2 NOSC9H9 ABCD9E9 -27.66 4.71 -8.66 -0.93 0
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35324 7979689 1 ClN3O5H16C17 AB3C5D16E17 -93.94 11.68 -8.71 -1.3 0
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35325 7979693 1 ClN3O7H14C16 AB3C7D14E16 -88.23 8.9 -9.56 -1.77 0
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35326 7979696 1 ClN2O5H15C17 AB2C5D15E17 -90.13 2.22 -9.53 -1.68 0
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35327 7979699 1 NCl2O2H11C14 AB2C2D11E14 -59.86 4.35 -8.64 -0.9 0
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35328 7979707 1 ClSN2O5C18H19 ABC2D5E18F19 -166.67 8.38 -8.71 -1.2 0
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35329 7979708 1 ClN2O4C17H17 AB2C4D17E17 -63.75 2.36 -8.74 -1.71 0
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35330 7979710 1 ClNO4C18H20 ABC4D18E20 -87.47 3.12 -9.65 -1.56 0
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35331 7979712 1 ClN2O6C17H17 AB2C6D17E17 -154.03 2.0 -9.5 -1.85 0
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35332 7979713 1 ClN2O6H13C16 AB2C6D13E16 -114.33 3.35 -8.65 -1.67 0
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35333 7979714 1 ClN3O6H12C15 AB3C6D12E15 -55.5 6.49 -9.55 -2.05 0
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35334 7979715 1 ClFN2O4H10C14 ABC2D4E10F14 -90.46 5.82 -9.24 -1.91 0
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35335 7979716 1 NO3H17C20 AB3C17D20 -52.13 4.06 -8.52 -0.51 0
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35336 7979717 1 ClNSO2H16C19 ABCD2E16F19 -32.22 4.83 -8.4 -0.95 0
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35337 7979718 1 Cl2N2O4H12C15 A2B2C4D12E15 -60.74 4.37 -8.94 -1.92 0
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35338 7979719 1 INO2H12C14 ABC2D12E14 -27.74 4.56 -8.56 -1.05 0
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35339 7979720 1 Cl2N3O4H9C13 A2B3C4D9E13 -36.37 6.47 -9.26 -1.88 0
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35340 7979721 1 N2O2H12C15 A2B2C12D15 -12.24 5.73 -8.68 -1.11 0
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35341 7979722 1 ClF2N2O4H9C14 AB2C2D4E9F14 -132.33 2.5 -9.65 -1.75 0
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35342 7979723 1 NCl2O2H13C15 AB2C2D13E15 -69.51 4.3 -8.58 -0.62 0
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35343 7979725 1 NO2C15H21 AB2C15D21 -98.92 4.72 -8.41 -0.02 0
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35344 7979726 1 ClFN2O4H12C15 ABC2D4E12F15 -98.59 4.3 -8.93 -1.9 0
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35345 7979729 1 NO3C19H21 AB3C19D21 -109.54 4.37 -8.54 0.02 0
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35346 7979730 1 ClN2O4H17C18 AB2C4D17E18 -56.78 3.15 -9.22 -1.71 0
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35347 7979732 1 ClNO4H16C17 ABC4D16E17 -61.23 3.45 -9.26 -1.49 0
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35348 7979733 1 NO2C17H19 AB2C17D19 -63.45 4.25 -8.62 -0.04 0
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35349 7979734 1 ClN3O5H10C12 AB3C5D10E12 -45.66 2.61 -9.7 -1.86 0