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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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312711 126607547 4 NOC5H6 ABC5D6 -4.29 6.16 -8.84 -0.68 0
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312712 126607555 1 ClOF2N6H17C23 ABC2D6E17F23 21.61 5.9 -8.63 -0.82 0
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312713 126607556 1 FO3N4C17H17 AB3C4D17E17 -89.4 2.06 -8.6 -0.27 0
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312714 126607559 1 F3N7C26H30 A3B7C26D30 -42.69 3.98 -8.34 -0.74 0
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312715 126607566 1 FN5C27H30 AB5C27D30 105.3 2.82 -8.27 -0.28 1
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312716 126607572 1 ON2H29C33 AB2C29D33 87.82 3.92 0.0 0.0 0
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312717 126607573 1 FO2N7H26C27 AB2C7D26E27 34.19 3.25 -8.51 -0.78 1
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312718 126607574 3 NC12H12 AB12C12 111.55 5.11 0.0 0.0 0
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312719 126607575 1 ClFN7H17C20 ABC7D17E20 137.25 4.98 -8.23 -0.8 0
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312720 126607579 1 NO2H13C16 AB2C13D16 -27.7 4.47 -8.57 -0.91 0
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312721 126607583 1 FO2N6C23H25 AB2C6D23E25 -11.57 3.73 -8.28 -0.22 0
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312722 126607585 1 NSO3C24H25 ABC3D24E25 -53.24 5.64 -8.19 -1.1 0
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312723 126607591 1 OF4N10C30H32 AB4C10D30E32 -57.49 7.5 -9.02 -0.94 0
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312724 126607592 1 NO3H21C25 AB3C21D25 -23.15 3.01 -8.58 -0.89 0
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312725 126607593 1 NO2C21H23 AB2C21D23 -50.66 1.47 -8.3 -0.76 0
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312726 126607594 1 F2O2N6H16C23 A2B2C6D16E23 -0.47 6.96 -8.68 -0.99 0
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312727 126607595 1 NO4C31H41 AB4C31D41 -178.37 3.21 -8.61 -0.68 0
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312728 126607596 1 OF4N8H16C22 AB4C8D16E22 -51.94 9.6 -8.86 -1.99 0
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312729 126607598 1 NOC9H11 ABC9D11 26.15 2.0 -8.54 0.17 0
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312730 126607599 1 NO4H17C20 AB4C17D20 -89.16 4.07 -8.57 -0.85 0
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312731 126607601 1 FON8C24H27 ABC8D24E27 48.55 9.52 -8.93 -1.12 0
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312732 126607605 1 FO2N6H19C23 AB2C6D19E23 51.7 8.12 -8.87 -1.04 0
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312733 126607606 1 INC6H8 ABC6D8 59.59 2.14 -9.09 -0.61 0
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312734 126607610 1 N7C25H29 A7B25C29 170.77 6.8 -8.38 -0.99 0
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312735 126607614 1 NO2C25H31 AB2C25D31 -72.81 2.23 -8.52 -0.63 0
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312736 126607620 1 NO2C20H21 AB2C20D21 -59.45 3.52 -8.48 -0.7 0
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312737 126607657 1 FO3N4C18H19 AB3C4D18E19 -80.11 4.38 -8.35 -0.43 0
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312738 126607668 1 FON9C25H26 ABC9D25E26 130.01 4.49 -8.34 -0.69 0
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312739 126607683 1 FON9C24H24 ABC9D24E24 95.73 7.64 -8.85 -1.12 0
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312740 126607684 1 O3N4C18H22 A3B4C18D22 -75.49 2.97 -8.39 0.02 0
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312741 126607686 1 IO5C28H41 AB5C28D41 -235.7 3.55 -8.05 -0.43 0
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312742 126607691 1 OC16H28 AB16C28 -71.54 3.18 -9.28 0.77 0
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312743 126607692 1 FN9C26H28 AB9C26D28 130.63 4.16 -8.46 -0.87 0
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312744 126607696 1 ClSN5C29H32 ABC5D29E32 190.94 7.3 -7.8 -0.68 0
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312745 126607700 1 ClOSN3H10C11 ABCD3E10F11 44.43 7.02 -8.99 -0.92 0
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312746 126607707 1 NO2C20H21 AB2C20D21 -50.0 3.44 -8.52 -0.66 0
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312747 126607742 1 NOSC23H27 ABCD23E27 -3.91 3.99 -8.06 -1.01 0
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312748 126607805 1 NO4C33H45 AB4C33D45 -185.1 3.29 -8.22 -0.85 0
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312749 126607808 1 O7C19H28 A7B19C28 -232.09 2.79 -8.25 -0.11 0
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312750 126607809 1 SO2H14C21 AB2C14D21 1.12 2.29 -8.68 -0.86 0
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312751 126607816 1 IOH25C37 ABC25D37 229.97 2.69 -8.76 -1.25 0
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312752 126607818 1 NPO6C29H44 ABC6D29E44 -328.14 4.92 -8.81 0.19 0
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312753 126607837 1 O5C18H22 A5B18C22 -160.16 3.56 -8.65 0.22 0
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312754 126607843 1 Cl2O4C29H34 A2B4C29D34 -166.4 3.54 -8.65 -0.54 0
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312755 126607917 1 ClO4C29H35 AB4C29D35 -160.49 5.06 -8.71 -0.13 0
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312756 126608221 1 SO2N4C19H20 AB2C4D19E20 26.58 5.37 -8.46 -0.89 0
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312757 126608263 1 SO3N5H11C16 AB3C5D11E16 -29.89 2.16 -8.64 -1.24 0
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312758 126608319 1 N5O9C52H55 A5B9C52D55 -239.78 4.78 -8.83 -1.08 0
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312759 126608367 1 SCl2C16H36 AB2C16D36 -143.46 1.58 -8.52 0.81 0
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312760 126608374 1 O3H22C25 A3B22C25 -65.22 2.74 -8.83 -0.9 0