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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148677 53788345 1 S2N3O7H21C22 A2B3C7D21E22 -165.06 6.4 -8.78 -0.64 0
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148678 53788346 1 S2N3O7H21C22 A2B3C7D21E22 -155.35 10.9 -8.72 -0.94 0
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148679 53788347 2 NO4C15H26 AB4C15D26 -391.19 2.15 -9.01 0.6 0
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148680 53788348 1 N3C13H13 A3B13C13 59.42 2.81 -8.43 0.12 0
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148681 53788349 1 O6C21H34 A6B21C34 -288.46 9.0 -10.24 -0.4 0
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148682 53788350 2 C9H17 A9B17 -51.1 0.74 -8.97 1.13 0
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148683 53788351 2 NC9H11 AB9C11 40.03 3.82 -8.96 -0.62 0
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148684 53788352 1 O2C31H48 A2B31C48 -111.62 1.89 -8.38 0.37 0
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148685 53788353 1 ClN6O7C60H63 AB6C7D60E63 -49.37 20.72 -7.19 -1.59 0
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148686 53788355 1 OSN5C13H17 ABC5D13E17 62.94 4.27 -8.68 -0.66 0
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148687 53788356 1 NO5C13H19 AB5C13D19 -219.25 1.82 -9.01 -0.88 0
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148688 53788357 1 NO5C13H19 AB5C13D19 -218.89 5.29 -9.06 -0.93 0
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148689 53788358 1 NO5C13H19 AB5C13D19 -219.14 2.46 -9.01 -0.86 0
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148690 53788359 1 ON8C23H30 AB8C23D30 71.59 3.43 -9.28 -0.76 0
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148691 53788360 1 S2N5O7C23H29 A2B5C7D23E29 -182.26 7.01 -9.05 -0.8 0
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148692 53788361 1 S2N5O7C23H29 A2B5C7D23E29 -182.32 4.27 -9.16 -0.8 0
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148693 53788362 1 N3O4H23C26 A3B4C23D26 -56.29 6.31 -8.69 -1.22 0
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148694 53788363 1 NOC3H7 ABC3D7 -34.22 2.23 -9.61 0.31 0
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148695 53788364 1 N2O2H6C11 A2B2C6D11 54.32 4.22 -9.19 -1.93 0
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148696 53788365 1 N3O3H15C20 A3B3C15D20 14.62 2.36 -9.05 -1.41 0
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148697 53788366 1 S2N4O4C25H30 A2B4C4D25E30 -107.86 4.55 -8.72 -0.84 1
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148698 53788367 1 N3O3C10H16 A3B3C10D16 -52.17 3.06 0.0 0.0 0
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148699 53788368 10 CH2 AB2 -31.05 0.15 -9.47 1.44 0
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148700 53788369 1 O3N6C32H58 A3B6C32D58 -169.42 3.19 -8.5 -0.95 -1
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148701 53788370 1 SO3H11C13 AB3C11D13 -59.1 5.93 0.0 0.0 0
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148702 53788371 1 SO3H12C13 AB3C12D13 -77.97 4.0 -8.96 -0.41 0
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148703 53788372 1 ClN3C14H16 AB3C14D16 66.45 3.32 -9.7 -0.68 0
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148704 53788373 1 NO4C14H19 AB4C14D19 -135.87 6.15 -9.74 -0.36 0
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148705 53788374 1 OSCl2H4C6 ABC2D4E6 -35.15 0.8 -9.22 -0.81 0
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148706 53788375 1 ON4C14H22 AB4C14D22 -20.59 4.38 -8.05 0.07 0
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148707 53788376 1 N2F3O3H17C19 A2B3C3D17E19 -202.63 6.06 -8.36 -0.88 0
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148708 53788377 1 PN4O24C46H55 AB4C24D46E55 -1072.65 12.33 -9.35 -1.5 1
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148709 53788378 1 ClN3O3C24H33 AB3C3D24E33 -67.44 4.35 0.0 0.0 0
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148710 53788379 2 O2C12H15 A2B12C15 -133.03 3.43 -8.61 -0.45 0
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148711 53788380 1 ClO2F3C16H22 AB2C3D16E22 -260.68 1.86 -8.75 -0.1 0
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148712 53788381 1 O5C14H14 A5B14C14 -153.6 6.17 -9.1 -1.0 0
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148713 53788382 1 SCl2N2O8H26C32 AB2C2D8E26F32 -212.49 4.13 -9.35 -0.96 0
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148714 53788383 1 SO4C14H24 AB4C14D24 -208.25 2.08 -8.87 0.46 0
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148715 53788384 1 SN2O2C10H14 AB2C2D10E14 -55.13 1.29 -7.81 0.11 1
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148716 53788385 1 ClNO2C14H19 ABC2D14E19 -26.77 5.9 0.0 0.0 0
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148717 53788386 1 O4C23H38 A4B23C38 -225.51 5.52 -9.82 0.86 0
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148718 53788387 1 NCl3O3C20H36 AB3C3D20E36 -207.67 2.27 -10.13 -0.76 0
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148719 53788388 1 ClOSC7H7 ABCD7E7 -13.9 2.04 -9.4 -0.48 0
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148720 53788389 1 N2O6C21H28 A2B6C21D28 -207.69 3.63 -8.12 -0.76 0
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148721 53788390 1 SN2O4C10H20 AB2C4D10E20 -178.81 6.4 -9.77 -0.24 0
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148722 53788391 1 SiC17H18 AB17C18 18.16 1.27 -8.16 -0.8 0
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148723 53788392 1 ClNPSO4C9H11 ABCDE4F9G11 -158.49 6.75 -10.23 -1.34 0
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148724 53788393 1 F3S3O5N10H17C18 A3B3C5D10E17F18 -125.67 7.15 -9.59 -1.27 0
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148725 53788394 2 ClNH4C5 ABC4D5 55.29 5.69 -9.36 -0.9 0
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148726 53788395 1 O3C23H36 A3B23C36 -178.96 2.19 -9.04 0.38 0