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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159995 57304352 1 ClON3C24H34 ABC3D24E34 12.87 2.76 -8.44 -0.36 0
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159996 57304355 2 NO3C21H28 AB3C21D28 -232.29 2.15 -8.5 -0.52 0
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159997 57304358 1 ClOSN2H13C15 ABCD2E13F15 46.87 5.83 -8.78 -1.31 0
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159998 57304359 1 ON2C8H12 AB2C8D12 25.39 1.72 -8.67 -0.89 0
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159999 57304360 1 S2N7C10H15 A2B7C10D15 103.12 7.66 -9.16 -0.84 0
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160000 57304367 1 N3O3F9H22C24 A3B3C9D22E24 -583.89 6.04 -9.53 -1.42 0
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160001 57304368 1 ClSO2C9H9 ABC2D9E9 -80.18 6.43 -9.22 -0.68 0
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160004 57304371 1 NO2C18H23 AB2C18D23 -61.54 1.08 -8.76 0.07 0
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160005 57304372 1 ClN3O3C9H10 AB3C3D9E10 -38.5 5.84 -9.42 -1.32 0
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160006 57304373 1 OSCl2C8H8 ABC2D8E8 -28.08 3.49 -9.43 -0.64 0
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160007 57304374 1 NO5C10H11 AB5C10D11 -198.58 0.53 -9.35 -0.58 0
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160008 57304375 1 SN2Cl3O5C12H15 AB2C3D5E12F15 -186.21 5.11 -9.29 -0.75 0
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160009 57304376 1 O6N7C24H25 A6B7C24D25 -135.81 4.82 -9.12 -1.16 0
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160010 57304378 1 FOH11C13 ABC11D13 -45.5 1.85 -9.16 -0.02 0
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160011 57304379 1 NO2C27H33 AB2C27D33 -59.02 7.5 -9.05 -0.7 -1
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160012 57304380 1 NSO4H6C7 ABC4D6E7 -113.86 7.5 0.0 0.0 0
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160013 57304381 1 NSO4C7H7 ABC4D7E7 -130.79 7.06 -9.08 -0.88 0
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160015 57304384 2 O2C6H13 A2B6C13 -247.19 0.62 -9.89 1.6 0
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160016 57304385 1 BrNOH10C11 ABCD10E11 -19.33 2.62 -9.1 -1.06 0
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160018 57304387 1 NOC19H19 ABC19D19 6.81 3.87 -8.72 -0.72 0
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160019 57304388 1 NO2C7H11 AB2C7D11 -47.45 7.46 -10.38 0.09 0
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160020 57304389 2 N2C5H5 A2B5C5 70.15 3.71 -8.65 -0.46 0
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160021 57304390 1 O4C15H22 A4B15C22 -168.92 4.62 -8.45 -0.02 0
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160022 57304391 1 SN3O4C23H31 AB3C4D23E31 -112.37 5.84 -9.02 -0.15 -1
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160023 57304392 1 SCl4N5O11C37H42 AB4C5D11E37F42 -420.12 8.77 0.0 0.0 0
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160024 57304394 1 N4O5C33H44 A4B5C33D44 -186.42 1.95 -9.14 -0.36 0
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160025 57304395 1 NO4C24H39 AB4C24D39 -189.52 4.63 -9.52 -0.24 0
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160028 57304398 1 SiO6C51H72 AB6C51D72 -310.77 4.57 -8.55 0.32 0
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160029 57304399 1 ON3C8H9 AB3C8D9 20.63 3.6 -9.54 -0.74 0
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160030 57304401 1 O2N5C27H35 A2B5C27D35 -42.62 1.69 -8.45 -0.31 0
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160031 57304405 1 ClO2H15C16 AB2C15D16 -55.11 3.07 -9.52 -0.57 0
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160032 57304406 1 FNSO3C18H18 ABCD3E18F18 -118.93 6.6 -9.58 -0.71 0
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160033 57304407 2 O2N3C14H15 A2B3C14D15 -44.97 9.32 -8.44 -0.55 0
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160035 57304410 1 SN2O5H18C20 AB2C5D18E20 -137.36 8.53 -9.7 -1.78 0
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160036 57304411 2 OC16H17 AB16C17 -10.3 0.88 -8.78 0.04 0
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160039 57304414 1 OSN3C22H29 ABC3D22E29 -2.36 5.93 -8.56 -0.51 0
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160040 57304415 1 IO4N5H24C28 AB4C5D24E28 12.7 2.03 -9.44 -1.56 0
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160041 57304419 1 N4O5H20C26 A4B5C20D26 -2.47 4.73 -8.42 -1.54 0
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160043 57304423 2 NSO4C5H8 ABC4D5E8 -357.48 7.26 -9.94 -0.83 0
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160044 57304426 1 BrO2C10H15 AB2C10D15 -109.78 5.65 -10.67 -0.87 1
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160045 57304458 1 SN2O3C10H19 AB2C3D10E19 -166.6 2.08 0.0 0.0 0
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160046 57304478 1 SO2N4C21H24 AB2C4D21E24 8.74 2.53 -8.26 -0.63 0
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160049 57304495 1 NO3C8H17 AB3C8D17 -177.97 3.5 -10.46 0.81 0
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160050 57304496 1 ON3C6H11 AB3C6D11 -27.19 3.46 -9.44 0.47 0
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160051 57304508 1 Cl2N2F3O3H9C13 A2B2C3D3E9F13 -225.9 2.43 -9.39 -1.46 0
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160052 57304510 1 Cl2F3N3O3H14C15 A2B3C3D3E14F15 -243.46 3.94 -9.28 -0.87 0
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160053 57304512 1 O2N5C31H33 A2B5C31D33 29.87 7.71 -8.58 -0.68 0
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160056 57304516 1 FIN2C11H14 ABC2D11E14 -16.34 3.86 -8.52 -0.89 0
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160057 57304517 1 ClS2O3N6C18H19 AB2C3D6E18F19 -39.73 2.89 -8.85 -1.32 0
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160058 57304521 1 OC8H12 AB8C12 13.38 2.65 -9.53 0.22 0
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160059 57304529 1 NPO3C8H16 ABC3D8E16 -185.87 3.07 -10.47 0.32 0
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160060 57304556 1 BrClNO2H11C14 ABCD2E11F14 -44.33 2.61 -9.26 -0.66 0
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160061 57304558 1 FN3C20H20 AB3C20D20 16.36 3.4 -8.57 -0.06 0
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160062 57304560 1 ClOC22H31 ABC22D31 -15.65 4.22 -9.48 -0.24 0
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160063 57304562 1 ClSF3O4H16C17 ABC3D4E16F17 -292.63 3.85 -8.79 -1.66 1
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160064 57304565 1 N2O2C34H67 A2B2C34D67 -157.97 5.4 0.0 0.0 0
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160065 57304567 1 NO10C12H23 AB10C12D23 -453.8 3.78 -10.04 0.7 0
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160066 57304579 1 SN4O4C13H14 AB4C4D13E14 -66.44 1.74 -9.19 -1.59 0
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160067 57304593 1 BrN4O4H21C26 AB4C4D21E26 1.9 2.47 -9.29 -1.67 0
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160068 57304594 1 NO3C19H21 AB3C19D21 -73.14 3.72 -8.48 -0.11 0
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160069 57304595 1 O2C19H20 A2B19C20 -49.89 3.25 -9.18 -0.25 0
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160070 57304597 1 OSN4C17H24 ABC4D17E24 14.58 6.79 -8.78 0.22 0
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160071 57304607 2 O2C10H17 A2B10C17 -214.43 8.68 -9.63 0.58 1
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160072 57304608 1 PN2O8C13H16 AB2C8D13E16 -268.07 5.12 0.0 0.0 0
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160074 57304615 1 SO3N4H14C16 AB3C4D14E16 -34.82 5.36 -8.67 -0.99 0
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160075 57304617 1 N2C9H14 A2B9C14 14.49 1.27 -9.97 -0.38 0
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160076 57304618 1 SN2O2C20H22 AB2C2D20E22 -5.54 6.91 -8.09 -1.13 0
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160077 57304628 1 ON2C23H30 AB2C23D30 -15.26 1.29 -8.72 -0.48 0
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160079 57304655 1 OCl2C5H6 AB2C5D6 -53.17 2.28 -10.1 0.1 0
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160081 57304662 1 N4O4C27H34 A4B4C27D34 -145.63 3.43 -9.27 -0.85 0
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160082 57304670 1 NOC12H15 ABC12D15 31.27 1.42 -9.07 0.04 0
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160083 57304671 1 N3O9C29H33 A3B9C29D33 -318.01 5.83 -9.56 -1.12 0
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160084 57304675 1 ClH2O2C5F9 AB2C2D5E9 -569.63 1.38 -11.89 -1.29 0
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160085 57304679 1 OSF2C9H12 ABC2D9E12 -121.9 4.53 -9.17 -0.85 0
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160086 57304680 1 NSF3O5C20H20 ABC3D5E20F20 -334.62 7.43 -9.67 -1.18 1
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160087 57304684 1 N4C13H19 A4B13C19 60.46 3.02 0.0 0.0 0
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160088 57304688 1 SO4C11H16 AB4C11D16 -163.74 4.29 -9.6 -0.03 0
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160089 57304690 1 N2O3H10C13 A2B3C10D13 -25.12 5.39 -9.03 -1.03 0
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160090 57304694 1 NO5C33H37 AB5C33D37 -116.22 5.76 -9.11 -0.35 0
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160091 57304696 1 SN3O5C27H29 AB3C5D27E29 -130.3 8.67 -9.51 -1.2 0
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160094 57304712 1 O2N3C23H47 A2B3C23D47 -167.49 4.55 -9.06 1.13 0
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160095 57304713 1 O3C23H36 A3B23C36 -169.65 4.72 -8.29 0.5 0
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160096 57304715 1 C19H24 A19B24 8.96 0.7 -8.97 0.46 0
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160097 57304716 1 FN2O10C44H69 AB2C10D44E69 -393.59 9.46 -8.87 -0.19 0
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160098 57304719 1 SCl2N2O7C22H22 AB2C2D7E22F22 -245.57 10.77 -9.54 -0.76 0
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160099 57304722 1 ON2C15H20 AB2C15D20 -13.71 4.08 -8.93 -0.87 0
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160100 57304723 2 NOC3H8 ABC3D8 -69.83 1.35 -8.41 1.77 0
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160101 57304724 1 N2C13H16 A2B13C16 33.76 2.17 -9.13 -0.28 0
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160102 57304731 1 OSN2C28H30 ABC2D28E30 37.23 0.94 -8.8 -0.76 0
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160103 57304734 1 N2O3C11H14 A2B3C11D14 -55.3 2.4 -9.11 -0.3 0
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160105 57304737 1 BrClN2O2H16C18 ABC2D2E16F18 -35.0 4.94 -9.17 -0.66 0
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160106 57304745 1 O7C15H20 A7B15C20 -282.51 6.0 -9.64 -1.14 0
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160107 57304748 1 NOC13H19 ABC13D19 -18.7 1.67 -8.59 0.23 0
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160108 57304751 1 ClSO2N3H14C15 ABC2D3E14F15 -44.33 2.25 -8.47 -1.11 0
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160109 57304770 1 NO2C17H25 AB2C17D25 -91.66 2.48 -9.06 0.37 0
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160112 57304783 1 N2O7H14C18 A2B7C14D18 -134.36 9.8 -9.44 -1.64 0
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160113 57304795 6 OC4H6 AB4C6 -273.68 4.32 -8.15 0.34 0
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160115 57304801 1 C19H36 A19B36 -62.36 0.31 -10.06 3.64 0
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160118 57304808 1 N2O3C24H26 A2B3C24D26 -56.01 4.47 -9.32 -0.38 0
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160119 57304809 1 OSiC12H20 ABC12D20 -67.61 4.7 -9.1 0.06 0