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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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