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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402604 135056545 1 NO3C8H15 AB3C8D15 -147.38 2.42 -10.22 0.4 0
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402605 135056552 1 NOC12H21 ABC12D21 -58.11 3.08 -9.64 -0.03 0
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402606 135056553 2 OC7H11 AB7C11 -98.26 4.39 -9.55 -0.51 0
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402607 135056555 1 Si3C14H34 A3B14C34 -113.52 0.34 -7.05 0.36 0
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402608 135056557 1 BrFC12H14 ABC12D14 -32.22 1.1 -9.41 -0.5 0
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402609 135056558 1 FON3C9H10 ABC3D9E10 -3.77 3.56 -9.93 -0.28 0
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402610 135056559 1 BrNO2H18C19 ABC2D18E19 -2.75 6.45 -8.24 -0.31 0
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402611 135056562 1 O3C13H16 A3B13C16 -82.04 2.65 -8.96 0.09 0
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402612 135056563 1 NSO2C12H27 ABC2D12E27 -129.48 3.92 -8.4 0.6 0
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402613 135056567 1 NOC15H25 ABC15D25 -63.77 2.83 -9.6 0.08 0
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402614 135056571 1 FO3C11H11 AB3C11D11 -153.51 4.63 -9.89 -0.46 0
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402615 135056585 1 SN2C12H14 AB2C12D14 43.44 2.6 -8.57 -0.65 0
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402616 135056589 1 NO2C12H15 AB2C12D15 -80.53 5.78 -9.67 -0.18 0
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402617 135056591 1 FeOPC15H24 ABCD15E24 38.95 1.72 0.0 0.0 0
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402618 135056593 1 SN3O3C7H11 AB3C3D7E11 -64.7 4.48 -10.68 -0.46 0
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402619 135056605 1 O3C12H14 A3B12C14 -102.56 2.32 -9.65 -0.82 0
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402620 135056619 1 ClPC6O8H12 ABC6D8E12 -431.19 5.02 -11.16 -1.07 0
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402621 135056620 1 O5C6H12 A5B6C12 -227.43 2.96 -10.32 -0.18 0
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402622 135056622 1 NO3C12H13 AB3C12D13 -100.93 5.92 -8.91 -0.59 0
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402623 135056626 1 ClC12H15 AB12C15 3.55 1.77 -9.6 -0.01 0
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402624 135056629 2 OC6H7 AB6C7 -46.66 1.86 -8.84 0.29 0
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402625 135056630 1 OC10H16 AB10C16 -54.62 3.28 -9.63 0.74 0
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402626 135056631 1 PdO2H12C14 AB2C12D14 118.11 9.54 -6.98 -1.01 0
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402627 135056633 1 NOSC10H15 ABCD10E15 2.55 1.9 -8.89 -0.29 0
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402628 135056637 2 OSC6H7 ABC6D7 -45.69 2.48 -8.65 -0.33 0
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402629 135056639 1 PSC5O7H11 ABC5D7E11 -375.32 3.18 -10.1 -1.12 0
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402630 135056643 1 ISN2O2H9C11 ABC2D2E9F11 -16.69 4.98 -8.74 -1.26 0
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402631 135056645 1 OTiC5H10 ABC5D10 19.11 1.97 -7.66 -1.73 0
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402632 135056647 1 GeSC15H22 ABC15D22 50.52 0.76 -8.95 -0.17 0
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402633 135056648 1 SN2O4C11H14 AB2C4D11E14 -124.49 4.69 -9.23 -0.88 0
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402634 135056649 1 O3C12H16 A3B12C16 -128.24 2.22 -8.75 0.09 0
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402635 135056650 1 LiZnC10H19 ABC10D19 265.78 31.5 -3.74 -2.24 0
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402636 135056651 1 NO2H11C12 AB2C11D12 -26.5 4.62 -10.07 -0.7 0
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402637 135056659 1 O2C15H18 A2B15C18 -43.27 2.44 -8.71 0.3 0
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402638 135056661 1 O3C13H18 A3B13C18 -133.71 2.79 -9.7 -0.01 0
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402639 135056667 1 IOC12H13 ABC12D13 -7.03 2.31 -9.44 -0.88 0
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402640 135056669 1 OC15H26 AB15C26 -77.25 1.36 -9.46 1.1 0
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402641 135056670 1 N3C13H19 A3B13C19 43.58 5.26 -8.44 1.03 0
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402642 135056671 1 NOSC10H21 ABCD10E21 -55.94 2.86 -8.26 0.52 0
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402643 135056672 1 SeN2O2C9H12 AB2C2D9E12 -54.24 8.14 -8.97 -0.79 0
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402644 135056673 1 NSH7C9 ABC7D9 90.14 4.55 -8.6 -0.99 0
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402645 135056676 1 O3C13H16 A3B13C16 -93.6 5.79 -9.16 -0.39 1
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402646 135056678 1 BPC13H13 ABC13D13 152.56 5.68 0.0 0.0 0
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402647 135056683 1 ClNF2C12H14 ABC2D12E14 -117.31 8.07 -9.53 -0.04 0
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402648 135056692 1 SO2C12H18 AB2C12D18 -85.1 3.7 -8.55 -0.05 0
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402649 135056696 1 OSeN4C8H10 ABC4D8E10 25.49 5.27 -8.49 -0.84 0
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402650 135056700 1 SN4H8C10 AB4C8D10 101.87 5.5 -9.18 -1.29 -1
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402651 135056710 1 BClOF3C9H10 ABCD3E9F10 -295.51 2.74 0.0 0.0 0
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402652 135056711 1 O2C11H14 A2B11C14 -69.6 2.25 -9.11 -0.07 0
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402653 135056727 2 NOC7H7 ABC7D7 -34.78 1.51 -9.67 -0.97 0