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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430531 135170597 1 NSC8H11 ABC8D11 35.4 3.4 -8.85 -0.16 0
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430532 135170598 1 NSH4F5C6 ABC4D5E6 -227.75 2.3 -9.61 -1.19 0
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430533 135170599 1 NO2C8H13 AB2C8D13 -86.17 3.53 -9.76 -0.4 0
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430534 135170600 1 BrNO4C7H8 ABC4D7E8 -134.37 3.95 -10.21 -1.3 0
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430535 135170601 1 NO4C12H19 AB4C12D19 -183.57 5.63 -9.72 -0.7 1
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430536 135170602 1 O3N6C61H67 A3B6C61D67 -9.65 3.66 0.0 0.0 0
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430537 135170603 1 NO4C8H11 AB4C8D11 -147.57 1.89 -9.69 -0.57 0
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430538 135170604 2 OC5H7 AB5C7 -81.67 0.29 -9.93 -0.21 0
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430539 135170605 1 ClNO3C7H8 ABC3D7E8 -115.96 3.39 -10.06 -1.02 0
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430540 135170606 1 NO5C8H11 AB5C8D11 -178.57 0.99 -9.8 -0.92 0
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430541 135170607 1 ClNOC8H12 ABCD8E12 -20.07 2.33 -9.58 0.02 0
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430542 135170608 1 ClNOC7H10 ABCD7E10 -19.14 0.65 -10.37 -0.06 0
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430543 135170609 1 NOC11H19 ABC11D19 -27.13 3.59 -9.46 0.5 0
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430544 135170610 1 ClNOC8H12 ABCD8E12 -19.37 3.24 -10.24 0.01 0
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430545 135170611 1 NOC10H17 ABC10D17 -20.62 3.13 -9.89 0.38 0
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430546 135170612 1 FNOC7H10 ABCD7E10 -47.57 1.89 -10.06 -0.04 0
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430547 135170613 1 ON2C8H10 AB2C8D10 27.94 0.63 -10.47 -0.16 0
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430548 135170614 1 NSC36H75 ABC36D75 -167.3 0.53 -8.54 0.38 0
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430549 135170615 1 ClN2O2F3H8C11 AB2C2D3E8F11 -201.8 5.35 -9.44 -1.13 0
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430550 135170616 1 ON2F3C9H9 AB2C3D9E9 -176.86 4.44 -10.11 -1.09 0
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430551 135170617 1 N2O2F3C12H15 A2B2C3D12E15 -249.81 2.21 -9.27 -0.88 0
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430552 135170618 1 NO2C8H13 AB2C8D13 -52.96 2.71 -10.16 0.06 0
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430553 135170619 1 FNOC8H12 ABCD8E12 -54.17 2.13 -9.98 0.02 0
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430554 135170620 1 NOC10H17 ABC10D17 -22.3 3.11 -9.9 0.38 0
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430555 135170621 1 BrNOC8H12 ABCD8E12 -10.34 2.48 -9.72 -0.19 0
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430556 135170622 1 NOC9H13 ABC9D13 6.04 3.86 -9.93 0.26 0
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430557 135170623 1 ON2F3C9H9 AB2C3D9E9 -186.05 2.34 -9.33 -0.94 0
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430558 135170624 1 ON2C9H14 AB2C9D14 -26.36 1.79 -9.89 -0.34 0
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430559 135170625 1 NF5H6C8 AB5C6D8 -234.58 1.46 -10.32 -0.87 0
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430560 135170626 1 NOF2C8H9 ABC2D8E9 -131.72 1.52 -10.04 -0.57 0
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430561 135170627 1 NOF2C9H11 ABC2D9E11 -136.67 3.06 -10.16 -0.67 0
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430562 135170628 1 ClN2C8H11 AB2C8D11 0.48 1.54 -10.2 -0.6 0
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430563 135170629 1 NO2C11H11 AB2C11D11 -42.53 3.64 -9.6 -1.04 0
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430564 135170630 1 ON2C8H10 AB2C8D10 26.52 2.43 -10.3 -0.07 0
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430565 135170631 1 ClNOC7H8 ABCD7E8 16.85 1.94 -10.16 -0.07 0
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430566 135170632 1 ClN3C13H16 AB3C13D16 37.46 1.92 -9.33 -0.7 0
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430567 135170633 1 NOC9H13 ABC9D13 13.88 2.9 -9.93 0.26 0
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430568 135170634 1 NO3C13H13 AB3C13D13 -85.42 2.6 -9.39 -1.0 0
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430569 135170635 1 F3N3C14H16 A3B3C14D16 -114.52 4.18 -9.57 -1.0 0
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430570 135170636 1 ClN3C13H16 AB3C13D16 37.56 3.11 -9.46 -0.67 0
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430571 135170637 1 ON2C8H8 AB2C8D8 59.4 2.16 -10.34 -0.2 0
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430572 135170638 1 F3N3C14H16 A3B3C14D16 -115.48 2.43 -9.65 -1.08 0
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430573 135170639 1 SN2C7H10 AB2C7D10 23.83 5.51 -8.3 0.26 0
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430574 135170640 1 ON2F3H11C13 AB2C3D11E13 -143.69 3.85 -9.76 -0.76 0
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430575 135170641 1 NO3C10H15 AB3C10D15 -127.46 3.45 -9.79 -0.53 0
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430576 135170642 1 NOC10H15 ABC10D15 -35.24 4.02 -9.56 0.14 0
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430577 135170643 1 NO3C13H21 AB3C13D21 -145.79 4.36 -9.71 -0.47 0
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430578 135170644 1 NSC7H9 ABC7D9 43.29 3.19 -9.06 -0.25 0
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430579 135170645 1 NSC8H11 ABC8D11 36.38 2.94 -9.02 -0.23 0
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430580 135170646 1 NSC8H11 ABC8D11 28.59 3.28 -9.03 -0.17 0