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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314600 126622416 1 ClNO2C17H20 ABC2D17E20 -85.6 2.73 -8.89 -0.5 0
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314601 126622419 1 F3O3N8H25C28 A3B3C8D25E28 -127.01 6.38 -8.93 -1.06 0
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314602 126622421 1 NO4H21C25 AB4C21D25 -96.54 6.42 -9.13 -1.8 0
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314603 126622422 1 OF3N8H13C18 AB3C8D13E18 -56.13 5.22 -9.19 -1.18 0
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314604 126622423 1 OF3N7H18C24 AB3C7D18E24 -19.79 7.5 -9.09 -1.12 0
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314605 126622425 1 BrFN4O4H20C22 ABC4D4E20F22 -147.21 3.64 -8.82 -0.76 0
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314606 126622430 1 SO3C9H16 AB3C9D16 -131.14 1.45 -9.07 -0.19 0
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314607 126622439 1 OF3N8H13C18 AB3C8D13E18 -42.49 6.17 -9.28 -1.25 0
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314608 126622440 1 BrFSN5O6C24H25 ABCD5E6F24G25 -202.03 9.42 -8.68 -1.08 0
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314609 126622441 1 O2F3N8H15C19 A2B3C8D15E19 -85.49 5.15 -9.22 -1.38 0
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314610 126622442 1 ON3C12H15 AB3C12D15 -2.96 3.05 -8.96 0.01 0
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314611 126622446 1 BrClON3C8H9 ABCD3E8F9 -14.35 6.01 -9.92 -1.02 0
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314612 126622448 2 ON4H12C13 AB4C12D13 70.17 7.96 -8.86 -0.84 0
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314613 126622449 1 FSN5O6C24H28 ABC5D6E24F28 -235.73 4.44 -8.78 -0.54 0
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314614 126622453 1 FN2O4C8H13 AB2C4D8E13 -190.51 8.08 -9.94 -0.49 0
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314615 126622454 1 N2O5H36C38 A2B5C36D38 -128.41 4.42 -8.91 -1.44 0
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314616 126622458 1 FN7H12C16 AB7C12D16 100.93 3.06 -9.32 -1.15 0
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314617 126622459 1 ON2C40H42 AB2C40D42 62.47 2.51 -8.87 -0.13 0
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314618 126622460 1 ON2C35H38 AB2C35D38 38.03 3.53 -8.92 -0.02 0
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314619 126622463 1 ClNSO3H14C21 ABCD3E14F21 -17.51 3.42 -9.21 -1.02 0
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314620 126622466 1 N2O5H30C31 A2B5C30D31 -151.77 3.45 -8.97 -1.38 0
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314621 126622467 1 NO3C6H13 AB3C6D13 -155.01 6.28 -10.3 0.94 0
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314622 126622472 1 BrFON3C12H15 ABCD3E12F15 -78.75 1.6 -9.44 -0.63 0
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314623 126622479 1 BrN3O3H8C9 AB3C3D8E9 -64.53 4.4 -9.58 -0.82 0
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314624 126622491 1 N2O4H10C11 A2B4C10D11 -88.9 4.4 -9.44 -2.22 0
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314625 126622492 1 O2N5H19C24 A2B5C19D24 91.49 2.3 -8.96 -1.04 0
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314626 126622493 1 BrOSC7H13 ABCD7E13 -41.5 2.06 -9.09 -0.59 0
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314627 126622496 1 N2O4H28C29 A2B4C28D29 -93.47 5.0 -8.84 -1.45 0
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314628 126622510 1 NO2C15H17 AB2C15D17 -29.32 5.63 -9.55 0.16 0
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314629 126622517 1 O2F3N5H18C25 A2B3C5D18E25 -70.01 3.1 -8.97 -1.19 0
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314630 126622521 1 FON7H18C23 ABC7D18E23 84.82 6.76 -8.98 -0.97 0
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314631 126622526 1 ON2C37H42 AB2C37D42 29.28 3.14 -8.91 -0.19 0
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314632 126622529 1 NO6C13H15 AB6C13D15 -156.04 6.19 -9.84 -1.07 0
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314633 126622530 1 O2F3N8H23C27 A2B3C8D23E27 -88.8 8.75 -8.94 -1.14 0
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314634 126622531 1 F2N2O3C13H14 A2B2C3D13E14 -197.44 4.86 -9.22 -0.86 0
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314635 126622532 1 ClFON2C12H16 ABCD2E12F16 -115.07 6.23 -9.74 -0.08 0
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314636 126622533 1 BrON7H20C24 ABC7D20E24 110.52 7.48 -9.04 -1.03 0
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314637 126622534 1 FON2C15H21 ABC2D15E21 -91.43 2.77 -9.33 0.41 0
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314638 126622535 1 BrFSN6O6C28H34 ABCD6E6F28G34 -237.03 4.64 -8.85 -0.93 0
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314639 126622536 1 ClOF2N2C16H21 ABC2D2E16F21 -145.67 2.43 -8.83 -0.8 0
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314640 126622537 1 O2F3N8H25C29 A2B3C8D25E29 -73.24 3.04 -8.81 -1.1 0
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314641 126622538 2 OF2N4H10C13 AB2C4D10E13 -122.26 6.36 -9.05 -1.13 0
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314642 126622539 1 F4N7H13C19 A4B7C13D19 -36.05 7.33 -9.19 -1.46 -1
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314643 126622542 1 SN2O7H17C19 AB2C7D17E19 -124.77 5.33 0.0 0.0 0
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314644 126622543 4 OC6H7 AB6C7 -144.08 8.47 -9.02 -0.98 0
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314645 126622544 1 N2O4C21H22 A2B4C21D22 -124.45 6.15 -8.53 -0.76 0
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314646 126622545 1 FN2O3C13H17 AB2C3D13E17 -174.27 7.57 -9.76 -0.48 0
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314647 126622546 1 ClSF2O3N8H27C31 ABC2D3E8F27G31 -34.41 7.74 -9.2 -1.21 0
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314648 126622547 1 FON2C14H19 ABC2D14E19 -86.73 2.71 -9.38 0.35 0
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314649 126622549 2 NF2O2H5C6 AB2C2D5E6 -334.27 4.68 -9.97 -1.18 0