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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12717 144473 1 NOC10H15 ABC10D15 -50.31 2.31 -9.31 0.22 0
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12718 144474 1 ClO2H13C16 AB2C13D16 -38.46 4.61 -9.65 -0.52 0
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12719 144476 1 N4O6C37H42 A4B6C37D42 -52.43 5.11 -8.52 -0.81 0
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12720 144478 1 BrO2C8H13 AB2C8D13 19.86 3.05 -9.37 -0.3 0
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12721 144518 1 NOH11C13 ABC11D13 53.94 5.17 -9.05 -0.3 0
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12722 144572 3 H4C5 A4B5 168.02 0.03 -9.48 0.55 0
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12723 144573 1 H14C15 A14B15 142.73 0.02 -9.49 0.8 0
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12724 144574 1 C13H22 A13B22 -19.82 0.64 -8.66 0.83 0
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12725 144575 3 H4C5 A4B5 207.24 0.06 -9.39 0.67 0
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12726 144601 1 NTeC9H11 ABC9D11 55.94 7.09 -7.1 -0.57 0
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12727 144602 1 NOC12H21 ABC12D21 -79.01 3.3 -9.34 2.78 0
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12728 144609 1 NC3H3F6 AB3C3D6 -308.73 0.22 -11.61 -0.3 0
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12729 144611 1 ON2C7H14 AB2C7D14 -25.54 2.06 -8.07 1.95 0
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12730 144619 1 NC9H19 AB9C19 -19.42 1.31 -8.38 2.91 0
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12731 144673 1 NC3H4 AB3C4 54.26 1.5 0.0 0.0 0
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12732 144674 14 CH AB 86.12 0.0 -9.49 0.08 0
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12733 144731 1 NPC9H12 ABC9D12 50.64 2.79 -7.56 -0.19 0
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12734 144767 1 N2O3C21H24 A2B3C21D24 -55.67 6.05 -9.15 -1.4 0
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12735 144781 1 OSN2C6H8 ABC2D6E8 -2.79 0.45 -8.86 -0.53 0
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12736 144782 1 OSCl3H3C4 ABC3D3E4 -23.71 2.27 -9.37 -1.32 0
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12737 144792 1 O2Si3C10H24 A2B3C10D24 -277.45 0.95 -9.01 1.37 0
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12738 144794 1 BNC10H24 ABC10D24 -63.15 1.28 -7.93 0.58 0
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12739 144795 2 SN2H5C7 AB2C5D7 149.08 0.15 -7.85 -1.47 0
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12740 144817 4 C2H3 A2B3 28.62 0.08 -9.99 1.13 0
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12741 144824 2 OC4H4 AB4C4 -46.43 1.28 -10.27 -1.33 0
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12742 144826 1 PSeO2C7H15 ABC2D7E15 -95.11 4.67 -8.76 0.42 0
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12743 144832 1 OC26H28 AB26C28 -15.22 1.17 -8.26 -0.11 0
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12744 144862 2 NC6H9 AB6C9 85.42 0.03 -8.84 0.22 0
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12745 144863 1 O3C5H6 A3B5C6 -105.16 4.27 -10.95 -0.9 0
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12746 144864 1 BrO2C7H11 AB2C7D11 67.19 2.82 -8.9 -0.36 0
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12747 144897 2 OC4H7 AB4C7 -94.75 1.75 -10.61 -0.03 0
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12748 144901 1 BrO2C9H9 AB2C9D9 -49.76 6.18 -9.3 -0.86 0
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12749 144917 1 FC5H6N7O12 AB5C6D7E12 -32.02 2.95 -11.79 -2.41 0
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12750 144922 1 ClC14H21 AB14C21 -31.8 2.35 -9.05 0.23 0
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12751 144944 1 ClNSiO4C7H12 ABCD4E7F12 -238.6 7.12 -9.29 -0.09 0
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12752 144958 1 ClNF3H3C6 ABC3D3E6 -133.1 1.13 -10.44 -1.29 0
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12753 144959 1 INSH6C7 ABCD6E7 62.11 4.41 -9.18 -1.23 0
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12754 144975 1 HN2S2 AB2C2 101.99 2.95 0.0 0.0 -1
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12755 144983 1 NSi2C12H31 AB2C12D31 -128.8 0.39 -9.07 1.5 0
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12757 144992 1 ClNOSH6C7 ABCDE6F7 2.64 2.39 -8.85 -0.61 0
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12758 145006 1 OSCl3 ABC3 -49.76 0.32 0.0 0.0 0
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12759 145035 1 O2C9H18 A2B9C18 -131.55 2.14 -10.72 0.94 0
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12760 145044 1 SiN2C12H26 AB2C12D26 -71.7 0.43 -7.04 1.5 0
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12761 145094 1 C9H10 A9B10 74.67 0.55 -9.81 0.95 0
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12763 145101 1 O2N4C7H16 A2B4C7D16 -90.73 4.72 -9.39 0.76 0
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12764 145115 1 NO2C5H9 AB2C5D9 -17.11 2.51 -10.04 -0.63 0
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12765 145147 1 CoP2C36H43 AB2C36D43 83.06 27.29 -10.02 -3.74 -17
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12766 145188 1 WH20C24 AB20C24 267.55 1.57 -6.29 -0.55 -12
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12767 145292 1 BrNSO2H6C10 ABCD2E6F10 -15.37 4.12 -10.01 -1.41 0
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12768 145301 2 IH3C4 AB3C4 138.77 0.01 -9.95 -0.99 0
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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