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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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429516 135169565 1 SO2N4C21H22 AB2C4D21E22 -3.35 5.75 -8.37 -0.45 0
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429517 135169566 1 SO2N4C19H22 AB2C4D19E22 -24.38 3.56 -8.39 -0.44 0
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429518 135169567 1 NO2C23H23 AB2C23D23 -22.7 1.12 -8.98 -0.01 0
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429519 135169568 1 ClFSO3N4C20H22 ABCD3E4F20G22 -111.39 6.62 -8.46 -0.77 0
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429520 135169569 1 ClFSO2N4H14C15 ABCD2E4F14G15 -43.13 2.94 -8.45 -0.77 0
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429521 135169570 1 SF2O2N7C23H27 AB2C2D7E23F27 -81.72 1.95 -8.18 -0.35 0
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429522 135169571 2 NC5H5 AB5C5 76.62 4.79 -9.01 -0.61 0
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429523 135169572 1 ClF3N8H20C23 AB3C8D20E23 24.09 6.19 -8.5 -1.3 0
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429524 135169573 1 OSN5C23H23 ABC5D23E23 107.11 2.42 -8.72 -0.78 0
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429525 135169574 1 ClOF3N6H18C25 ABC3D6E18F25 -33.08 7.6 -9.64 -1.62 0
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429526 135169575 1 ClOSN3C8H10 ABCD3E8F10 -0.42 4.06 -8.34 -0.32 0
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429527 135169576 1 ClON8H17C20 ABC8D17E20 138.53 6.8 -8.3 -1.15 0
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429528 135169577 1 O2F3N9H14C20 A2B3C9D14E20 -18.26 9.8 -8.66 -1.67 0
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429529 135169578 1 OSF3N9H16C22 ABC3D9E16F22 51.18 6.98 -8.99 -1.6 0
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429530 135169579 1 ClOF3N8H18C22 ABC3D8E18F22 -33.29 9.26 -8.9 -0.98 0
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429531 135169580 1 N3H8C9F11 A3B8C9D11 -535.16 1.6 -10.18 -1.02 0
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429532 135169581 1 ClN5C12H14 AB5C12D14 102.99 5.13 -9.07 -0.78 0
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429533 135169582 1 ON3F5C11H16 AB3C5D11E16 -260.81 1.47 -8.91 0.21 0
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429534 135169583 1 ON3F4C11H17 AB3C4D11E17 -217.99 2.64 -8.98 0.43 0
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429535 135169584 1 N3C9H9F10 A3B9C9D10 -488.22 1.81 -9.89 -1.01 0
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429536 135169585 1 ON3F7C12H16 AB3C7D12E16 -376.68 2.51 -9.3 -0.45 0
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429537 135169586 1 N3H8C10F13 A3B8C10D13 -644.69 2.25 -10.01 -1.48 0
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429538 135169587 1 ClSO3N5C20H24 ABC3D5E20F24 -62.63 5.03 -8.06 -0.42 0
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429539 135169588 1 ClSO2N5C14H14 ABC2D5E14F14 6.0 3.78 -8.3 -0.59 0
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429540 135169589 1 ClOSF3N8H20C24 ABCD3E8F20G24 -18.14 5.05 -8.72 -1.48 0
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429541 135169590 1 FSO3N4C20H23 ABC3D4E20F23 -108.4 5.24 -8.4 -0.52 0
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429542 135169591 1 FSO2N4C15H15 ABC2D4E15F15 -42.87 3.99 -8.39 -0.49 0
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429543 135169592 1 ON5H31C50 AB5C31D50 246.3 3.46 -8.22 -1.25 0
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429544 135169593 1 OF4N8H14C23 AB4C8D14E23 -28.29 8.88 -9.34 -1.72 0
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429545 135169594 1 F3N3O3H14C16 A3B3C3D14E16 -160.3 3.02 -8.58 -1.49 1
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429546 135169595 1 F3N3O3H15C17 A3B3C3D15E17 -158.46 2.07 0.0 0.0 0
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429547 135169596 1 BrN4H5C7 AB4C5D7 93.47 4.5 -10.16 -1.7 0
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429548 135169597 1 F3N5C20H26 A3B5C20D26 -24.6 2.15 -7.76 -0.49 0
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429549 135169598 1 O2N5H33C56 A2B5C33D56 248.29 3.6 -8.09 -1.33 0
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429550 135169599 1 O2N5H29C50 A2B5C29D50 221.39 2.69 -8.31 -1.33 0
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429551 135169600 1 ClN2O3C10H11 AB2C3D10E11 -70.64 3.69 -8.71 -0.63 0
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429552 135169601 1 ClO2N5H28C50 AB2C5D28E50 204.65 5.85 -8.41 -1.32 0
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429553 135169602 1 IOF3N3H9C15 ABC3D3E9F15 -78.3 3.25 -9.94 -1.76 0
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429554 135169603 1 O2F3N3H16C17 A2B3C3D16E17 -180.44 4.06 -9.2 -1.12 0
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429555 135169604 1 SO3N6C23H26 AB3C6D23E26 -33.17 6.17 -9.32 -1.74 0
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429556 135169605 1 O2N5H29C50 A2B5C29D50 223.26 3.7 -8.14 -1.29 0
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429557 135169606 1 ON5H31C50 AB5C31D50 245.88 3.22 -8.27 -1.24 0
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429558 135169607 1 ClF3N7H23C25 AB3C7D23E25 25.93 2.51 -8.48 -0.84 0
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429559 135169608 1 O2N5H29C50 A2B5C29D50 225.15 4.9 -8.21 -1.36 0
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429560 135169609 1 O2F3N6H15C23 A2B3C6D15E23 -65.48 6.21 -9.01 -1.67 0
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429561 135169610 1 O2N5H25C44 A2B5C25D44 209.28 1.78 -8.55 -1.28 0
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429562 135169611 1 ON5H31C50 AB5C31D50 247.75 2.16 -8.18 -1.24 0
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429563 135169612 1 S2O5C7H10 A2B5C7D10 -189.04 9.52 -10.13 -0.52 0
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429564 135169613 1 O2N5H29C50 A2B5C29D50 225.8 2.06 -8.28 -1.39 0
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429565 135169614 1 ON2F4C13H20 AB2C4D13E20 -239.01 6.6 -8.79 0.12 0