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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37553 8022178 1 N2O3H18C25 A2B3C18D25 -13.02 3.01 -8.8 -1.53 0
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37554 8022190 1 N2O4H22C23 A2B4C22D23 -115.83 2.57 -8.54 -1.26 0
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37555 8022194 1 N3O3H21C23 A3B3C21D23 -28.52 6.09 -8.99 -1.69 0
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37556 8022198 1 BrNO4C19H20 ABC4D19E20 -132.01 4.72 -8.89 -0.94 0
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37557 8022201 1 BrNO2C18H20 ABC2D18E20 -52.48 3.8 -8.84 -0.91 0
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37558 8022219 1 BrNO2H16C19 ABC2D16E19 -15.63 2.28 -8.94 -0.95 0
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37559 8022220 1 BrNSO2H16C18 ABCD2E16F18 -6.06 2.78 -8.88 -0.92 0
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37560 8022228 1 BrSO2H11C16 ABC2D11E16 7.54 5.8 -8.7 -1.27 0
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37561 8022249 1 ClN2O5H15C18 AB2C5D15E18 -84.97 10.64 -9.33 -1.48 0
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37562 8022250 1 ClN2O5H15C18 AB2C5D15E18 -84.53 9.87 -9.71 -1.44 0
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37563 8022257 1 ClNO5C20H20 ABC5D20E20 -177.74 3.31 -9.07 -0.82 0
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37564 8022261 1 ClN2O3H13C14 AB2C3D13E14 -73.47 7.3 -9.99 -1.38 0
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37565 8022263 1 ClFNO3H15C18 ABCD3E15F18 -126.68 4.1 -8.73 -1.21 0
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37566 8022265 1 ClO4H15C18 AB4C15D18 -100.81 3.65 -9.4 -0.66 0
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37567 8022267 1 Cl2O3H12C17 A2B3C12D17 -66.26 2.16 -9.74 -0.77 0
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37568 8022274 1 ClO5H15C19 AB5C15D19 -132.74 4.02 -9.08 -0.78 0
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37569 8022277 1 ClSN2O4H19C20 ABC2D4E19F20 -134.59 3.46 -8.51 -0.99 0
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37570 8022280 1 ClN2O4C17H19 AB2C4D17E19 -141.76 4.46 -9.29 -1.05 0
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37571 8022290 1 ClNO3C18H18 ABC3D18E18 -83.66 4.17 -8.73 -0.71 0
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37572 8022298 1 ClNO3C20H20 ABC3D20E20 -76.61 3.63 -9.41 -0.88 0
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37573 8022301 1 ClNO3C17H20 ABC3D17E20 -121.24 6.96 -9.84 -1.16 0
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37574 8022390 1 N5H17C19 A5B17C19 160.2 2.22 -9.19 -1.14 0
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37575 8022392 1 OSN3C15H27 ABC3D15E27 -60.75 7.57 -8.52 -0.08 0
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37576 8022395 1 SO2N3C18H29 AB2C3D18E29 -101.98 4.84 -8.78 -0.23 2
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37577 8022399 1 N2C13H22 A2B13C22 107.69 23.71 -4.27 -1.46 1
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37578 8022405 1 NO2C10H14 AB2C10D14 -50.78 3.67 0.0 0.0 0
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37579 8022406 1 OC8H14 AB8C14 -49.23 5.32 -9.79 -0.1 -1
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37580 8022408 1 NO5C12H12 AB5C12D12 -131.56 7.38 0.0 0.0 -1
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37581 8022447 1 O5C17H17 A5B17C17 -131.67 5.0 0.0 0.0 0
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37582 8022448 1 O5C17H18 A5B17C18 -182.11 9.4 -9.3 -1.21 0
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37583 8022450 1 O6C13H14 A6B13C14 -251.98 6.43 -9.7 -0.84 -1
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37584 8022457 1 N2O6C17H21 A2B6C17D21 -200.82 4.22 0.0 0.0 0
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37585 8022458 1 N2O6C17H22 A2B6C17D22 -216.95 6.56 -10.08 -0.15 1
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37586 8022481 1 ClFNC15H16 ABCD15E16 9.83 5.57 0.0 0.0 1
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37587 8022500 1 NSO3C12H18 ABC3D12E18 -86.45 5.96 0.0 0.0 0
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37588 8022503 1 NSO4C13H19 ABC4D13E19 -138.53 6.97 -8.34 0.2 -1
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37589 8022510 1 NO5H8C12 AB5C8D12 -109.1 7.9 0.0 0.0 0
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37590 8022513 1 ON2C9H10 AB2C9D10 -11.28 2.98 -8.86 -0.22 1
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37591 8022514 1 ON2C9H11 AB2C9D11 4.06 3.93 0.0 0.0 1
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37592 8022522 1 BrON2C8H8 ABC2D8E8 3.9 3.83 0.0 0.0 0
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37593 8022525 1 ON2C11H14 AB2C11D14 -27.07 2.87 -8.86 -0.15 0
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37594 8022527 1 ON2C11H14 AB2C11D14 -25.04 4.03 -8.81 -0.16 0
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37595 8022529 1 NO3C14H19 AB3C14D19 -112.57 5.87 -9.12 -0.14 1
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37596 8022532 1 N2O3C15H23 A2B3C15D23 -66.72 13.09 0.0 0.0 1
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37597 8022534 1 N2O3C15H23 A2B3C15D23 -77.79 8.5 0.0 0.0 0
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37598 8022536 1 NO3C13H17 AB3C13D17 -119.83 7.1 -9.3 -0.3 0
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37599 8022539 1 NO3C13H17 AB3C13D17 -116.64 4.25 -9.28 -0.24 0
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37600 8022546 1 N3C20H23 A3B20C23 39.08 7.12 -8.24 -0.84 0
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37601 8022549 1 ON4C10H22 AB4C10D22 -43.67 2.43 -8.85 1.39 0
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37602 8022551 1 FSN2O5C15H19 ABC2D5E15F19 -250.7 4.24 -10.0 -1.0 0