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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12769 145322 1 ClC13H19 AB13C19 -32.69 2.04 -8.94 0.32 0
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12770 145415 1 O2C9H16 A2B9C16 -96.83 0.66 -9.71 1.29 0
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12771 145416 1 O2C9H14 A2B9C14 -91.41 1.34 -9.57 1.37 0
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12772 145424 2 FOH3C4 ABC3D4 -163.36 3.53 -10.63 -0.97 0
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12773 145435 1 CINS ABCD 48.86 2.48 -9.83 -3.38 0
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12774 145436 1 CINSe ABCD 93.14 2.78 -9.72 -4.02 0
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12775 145439 1 PN2C14H29 AB2C14D29 -64.05 1.63 -7.37 1.35 0
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12776 145449 1 N2C15H24 A2B15C24 11.08 0.12 -8.64 0.44 0
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12777 145498 1 SC6H12 AB6C12 -7.0 2.08 -8.49 0.62 0
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12778 145517 4 C3H4 A3B4 22.33 0.75 -8.82 0.44 0
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12779 145521 2 C3H4 A3B4 47.76 0.26 -9.82 0.95 0
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12780 145522 3 C5H8 A5B8 39.09 0.16 -9.98 1.74 0
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12781 145523 1 ClNO5H16C18 ABC5D16E18 -132.33 2.83 -9.11 -0.83 0
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12783 145534 1 SN3H10C14 AB3C10D14 174.75 1.11 0.0 0.0 0
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12784 145535 1 NOC14H15 ABC14D15 9.13 2.28 -8.84 -0.04 0
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12785 145559 1 N2O3C10H16 A2B3C10D16 -44.26 9.26 -9.37 0.38 0
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12786 145560 1 N2O3C8H12 A2B3C8D12 -34.14 10.19 -10.21 -0.43 0
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12787 145563 1 OSC5H8 ABC5D8 22.96 4.85 -8.46 0.43 0
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12788 145564 1 NOC14H21 ABC14D21 -7.99 4.83 -8.94 0.08 0
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12789 145581 1 ClSN2O2H3C7 ABC2D2E3F7 55.8 4.09 -9.38 -1.93 0
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12790 145612 4 C3H4 A3B4 14.37 0.15 -8.16 0.24 0
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12791 145615 1 PC3H5 AB3C5 46.56 2.26 -9.13 1.66 0
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12792 145633 2 NC4H7 AB4C7 16.81 2.23 -9.08 0.99 0
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12793 145660 1 ON2C18H20 AB2C18D20 7.1 7.25 -8.35 -0.5 0
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12794 145661 1 OPN2C6H13 ABC2D6E13 -41.83 2.76 -9.66 1.24 0
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12795 145663 1 FH9C12 AB9C12 -1.42 1.8 -9.36 -0.37 0
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12796 145666 1 N2O2C7H8 A2B2C7D8 -8.83 2.58 -8.77 -0.55 0
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12797 145667 1 O6H8C13 A6B8C13 -178.28 14.04 -9.11 -1.9 0
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12798 145671 2 SO2C4H7 AB2C4D7 -137.18 0.3 -10.8 -0.19 0
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12799 145672 1 ClNO2C6H12 ABC2D6E12 -101.94 10.49 -9.04 0.14 0
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12800 145673 1 NO2C6H12 AB2C6D12 -57.1 6.56 0.0 0.0 1
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12801 145684 1 OC16H30 AB16C30 -82.4 3.57 -10.01 -0.2 0
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12802 145708 1 FH9C12 AB9C12 -9.9 1.54 -8.77 -0.49 0
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12803 145709 1 ClN2C10H11 AB2C10D11 25.15 2.78 -8.52 -0.26 0
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12804 145725 2 ClH2O2C4 AB2C2D4 -140.48 1.9 -10.08 -1.24 0
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12805 145761 5 OC2H2 AB2C2 -159.7 6.21 -8.99 -1.49 0
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12806 145768 1 SN4H14C16 AB4C14D16 99.85 0.72 -9.06 -1.23 0
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12807 145796 1 ClSN3C14H16 ABC3D14E16 48.35 3.53 -8.64 -0.33 0
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12808 145806 1 N4O5H12C14 A4B5C12D14 60.42 9.39 -9.8 -2.0 0
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12809 145809 1 O4H6C7 A4B6C7 -123.74 6.76 -9.62 -1.4 0
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12810 145852 1 O2N4C19H22 A2B4C19D22 59.31 8.61 -8.64 -1.49 0
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12811 145855 1 NCl2C3H9 AB2C3D9 -60.65 3.0 -9.82 0.56 0
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12812 145864 1 OH10C12 AB10C12 -6.5 1.45 -8.32 -0.21 0
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12813 145865 1 ClN4C14H17 AB4C14D17 35.93 3.97 -8.06 -0.72 0
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12814 145952 1 ON3C14H15 AB3C14D15 10.33 5.84 -9.08 -0.29 0
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12815 145991 1 OC9H14 AB9C14 -45.33 4.53 -9.66 -0.07 0
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12816 146067 1 N2O4C13H14 A2B4C13D14 -119.69 4.04 -8.87 -0.71 0
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12817 146070 2 NOH7C8 ABC7D8 -27.82 2.41 -9.63 -0.33 0
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12818 146080 1 N2C20H21 A2B20C21 73.69 3.12 0.0 0.0 1
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12819 146083 1 N2O3C19H22 A2B3C19D22 -78.96 4.64 -8.72 -0.69 0