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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195395 78681949 1 N3O5C19H23 A3B5C19D23 -187.17 6.48 -9.49 -0.91 0
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195396 78681950 1 SN2O4C22H24 AB2C4D22E24 -107.56 7.48 -8.39 -0.95 0
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195397 78681951 1 NO6H21C22 AB6C21D22 -173.0 5.26 -9.15 -0.81 0
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195398 78681952 1 ClSN2O4C20H21 ABC2D4E20F21 -115.65 6.57 -8.85 -0.8 0
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195399 78681953 1 N3O5C19H25 A3B5C19D25 -196.53 4.12 -8.95 -0.56 0
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195400 78681954 2 NO2C11H14 AB2C11D14 -155.84 5.68 -9.26 -0.5 0
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195401 78681955 1 O4N5C21H23 A4B5C21D23 -83.17 7.46 -9.11 -1.11 0
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195402 78682261 1 ClNO6C21H22 ABC6D21E22 -193.74 4.58 -8.46 -0.93 0
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195403 78682306 1 SO2N3C21H21 AB2C3D21E21 18.44 3.01 -8.53 -1.05 0
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195404 78682307 1 ClSO6H17C18 ABC6D17E18 -162.68 3.92 -8.22 -1.18 0
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195405 78682420 1 NSO4C21H23 ABC4D21E23 -123.49 4.31 -9.09 -1.01 0
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195406 78682523 1 NSO4C17H17 ABC4D17E17 -108.69 7.5 -8.24 -1.37 0
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195407 78682524 1 N3O6C17H19 A3B6C17D19 -197.81 4.83 -8.91 -1.47 0
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195408 78682700 1 N3O7C20H25 A3B7C20D25 -270.04 5.17 -9.17 -0.62 1
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195409 78682805 1 N3O3C17H28 A3B3C17D28 -109.21 7.16 0.0 0.0 0
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195410 78682940 1 NO6C22H23 AB6C22D23 -175.66 1.94 -8.43 -0.48 1
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195411 78683248 1 ON2C14H23 AB2C14D23 -27.12 4.54 0.0 0.0 0
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195412 78683318 1 ClN2O5H15C18 AB2C5D15E18 -90.2 9.92 -9.67 -1.56 0
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195413 78683435 1 Cl2O2N3C14H17 A2B2C3D14E17 -78.36 4.95 -9.04 -0.2 0
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195414 78683481 1 SN3O3C22H35 AB3C3D22E35 -133.19 8.77 -8.9 -0.42 0
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195415 78683482 1 ClNSO4C20H22 ABCD4E20F22 -120.69 3.64 -9.28 -1.28 0
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195416 78683565 1 NO6C24H29 AB6C24D29 -260.18 2.81 -9.56 -0.14 0
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195417 78683634 1 SN3O3H15C20 AB3C3D15E20 -15.91 3.1 -9.06 -1.55 0
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195418 78683810 1 NF4O4H15C20 AB4C4D15E20 -318.98 3.64 -9.15 -1.25 0
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195419 78684171 1 N3O5C18H23 A3B5C18D23 -182.25 6.38 -8.83 0.16 0
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195420 78684424 1 N3O4C23H29 A3B4C23D29 -174.76 0.87 -9.48 -1.14 0
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195421 78684425 1 N3O4C22H27 A3B4C22D27 -165.78 2.68 -9.47 -1.14 0
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195422 78684426 1 N3O3S3C13H13 A3B3C3D13E13 -39.01 4.83 -8.85 -1.43 0
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195423 78684427 1 OS3N4C19H22 AB3C4D19E22 62.62 8.67 -8.45 -1.1 0
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195424 78684428 1 ClON3S3H14C17 ABC3D3E14F17 61.98 1.18 -8.87 -1.56 0
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195425 78684429 1 O2N3S3C14H17 A2B3C3D14E17 -2.1 0.91 -8.73 -1.32 0
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195426 78684430 1 O2N3S3C19H19 A2B3C3D19E19 21.17 3.4 -8.31 -1.34 0
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195427 78684431 1 ON3S3C19H19 AB3C3D19E19 59.58 6.51 -8.53 -1.1 0
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195428 78684432 1 O2N3S3H17C18 A2B3C3D17E18 30.61 2.58 -8.48 -1.31 0
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195429 78684433 1 FON3S3H14C17 ABC3D3E14F17 21.1 2.04 -8.82 -1.53 0
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195430 78684434 1 O2N3S3C19H19 A2B3C3D19E19 23.34 1.44 -8.41 -1.3 0
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195431 78684435 1 ClOS3N4H13C16 ABC3D4E13F16 74.78 1.59 -8.84 -1.56 0
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195432 78684448 1 SN2O5C19H28 AB2C5D19E28 -221.81 6.83 -9.25 -0.68 0
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195433 78684575 1 SO2N3C16H19 AB2C3D16E19 -14.38 3.08 -8.52 -0.89 0
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195434 78684576 1 SN4O5C15H16 AB4C5D15E16 -39.69 4.2 -9.19 -1.74 0
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195435 78684577 1 BrSO2N3C14H14 ABC2D3E14F14 9.08 3.61 -9.29 -1.09 0
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195436 78685357 1 ClO3N4H17C19 AB3C4D17E19 -29.56 4.93 -8.99 -1.21 0
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195437 78685616 1 SN3O4H15C18 AB3C4D15E18 -83.65 1.7 -9.08 -1.42 0
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195438 78685626 1 N3O4H21C23 A3B4C21D23 -75.38 4.73 -8.76 -1.41 0
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195439 78685926 1 SN3O4C21H23 AB3C4D21E23 -79.71 4.95 -9.03 -1.24 0
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195440 78686201 1 N4O6C19H32 A4B6C19D32 -316.39 1.77 -9.96 -0.18 0
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195441 78686467 1 Cl2N2O3C18H20 A2B2C3D18E20 -102.23 7.01 -9.99 -1.09 0
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195442 78686468 1 NCl3O3H12C16 AB3C3D12E16 -104.6 2.66 -9.18 -1.18 0
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195443 78686469 1 NCl2O3H17C18 AB2C3D17E18 -116.29 3.25 -8.57 -1.36 0
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195444 78686684 1 N2O4C21H28 A2B4C21D28 -183.52 3.55 -8.81 -0.04 0