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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228346 87564031 1 O2N7C21H23 A2B7C21D23 101.28 7.81 -8.29 -0.9 0
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228347 87564041 1 O2N4H14C17 A2B4C14D17 125.87 2.87 -9.18 -1.11 0
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228348 87564045 1 NOH17C19 ABC17D19 57.48 2.01 -8.68 -0.09 0
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228349 87564047 1 ClNSO2H18C20 ABCD2E18F20 -17.77 1.64 -8.72 -1.08 0
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228350 87564049 1 N2O3H14C17 A2B3C14D17 -24.78 1.59 -9.0 -1.04 0
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228351 87564052 1 N2O2H20C21 A2B2C20D21 19.61 3.65 -8.19 -0.88 0
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228352 87564057 1 S2N3O4C22H27 A2B3C4D22E27 -122.02 4.45 -9.02 -0.86 0
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228353 87564065 1 NO2C10H21 AB2C10D21 -136.35 5.46 -10.24 0.8 0
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228354 87564067 1 FO2S2N6H13C20 AB2C2D6E13F20 58.56 7.95 -9.04 -1.44 0
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228355 87564070 1 OS2N6C19H20 AB2C6D19E20 88.28 8.76 -8.65 -1.09 0
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228356 87564072 1 SN3O6C9H17 AB3C6D9E17 -244.75 3.9 -9.64 -0.51 0
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228357 87564073 1 N2O3H18C19 A2B3C18D19 -29.75 2.61 -8.88 -1.2 0
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228358 87564074 1 F2O3H16C20 A2B3C16D20 -136.9 3.12 -8.78 -0.93 0
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228359 87564076 1 N2O3H18C23 A2B3C18D23 -1.31 2.97 -9.11 -1.1 0
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228360 87564079 1 O2N3C19H19 A2B3C19D19 0.28 3.93 -8.4 -0.92 0
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228361 87564080 1 SN3O4C23H27 AB3C4D23E27 -136.62 4.44 -9.05 -1.01 0
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228362 87564082 1 FO2S2N8C22H25 AB2C2D8E22F25 17.56 3.16 -8.58 -1.11 0
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228363 87564086 1 NO2C4H11 AB2C4D11 -73.61 2.02 -10.14 1.38 0
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228364 87564087 1 O3N6C40H40 A3B6C40D40 18.31 9.65 -9.45 -1.5 0
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228365 87564091 1 NPC6O6H16 ABC6D6E16 -356.88 2.66 -9.9 0.22 0
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228366 87564094 1 NSO2C21H21 ABC2D21E21 -19.08 3.56 -8.39 -0.97 0
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228367 87564096 1 OCl2N3C13H13 AB2C3D13E13 10.4 1.84 -9.22 -0.92 -1
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228368 87564102 1 NOZnC2H6 ABCD2E6 -160.64 8.1 0.0 0.0 0
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228369 87564104 1 SO3N5C25H29 AB3C5D25E29 -90.94 4.08 -8.67 -1.08 0
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228370 87564112 1 BrNO3C24H26 ABC3D24E26 -41.69 5.1 -9.5 -0.29 0
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228371 87564115 1 N2F3O4C16H19 A2B3C4D16E19 -276.02 4.24 -9.24 -1.24 0
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228372 87564122 1 BrN2C7H7 AB2C7D7 32.52 4.47 -8.46 -1.45 0
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228373 87564127 1 ClN3O4C30H30 AB3C4D30E30 -13.93 6.89 -8.89 -1.12 0
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228374 87564128 1 N2O4C17H26 A2B4C17D26 -149.76 3.38 -9.24 -0.08 0
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228375 87564130 1 BrON2H17C18 ABC2D17E18 61.77 4.15 -8.96 -1.09 0
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228376 87564133 1 ClFOH10C15 ABCD10E15 -23.43 4.29 -9.83 -0.76 0
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228377 87564136 1 O4N12C59H84 A4B12C59D84 -116.29 9.44 -8.65 -0.86 0
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228378 87564137 2 ON3C15H21 AB3C15D21 -39.83 1.4 -9.01 -0.84 0
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228379 87564138 1 O4N12C59H84 A4B12C59D84 -117.62 11.59 -8.49 -0.95 0
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228380 87564139 1 NO3H7C11 AB3C7D11 53.18 5.45 -9.48 -1.41 0
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228381 87564140 1 ClN4C12H17 AB4C12D17 34.72 4.36 -8.97 -0.04 0
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228382 87564144 1 ClNOC5H10 ABCD5E10 -50.3 3.81 -9.48 -0.02 0
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228383 87564145 1 NSiC5O5H13 ABC5D5E13 -308.0 5.88 -9.36 -0.04 0
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228384 87564147 4 OC4H6 AB4C6 -137.1 2.71 -8.42 -0.21 0
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228385 87564149 1 BrNSO2H18C20 ABCD2E18F20 -5.92 2.7 -8.79 -1.08 0
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228386 87564150 1 BrSSiO3C15H23 ABCD3E15F23 -113.28 7.44 -7.74 -0.13 0
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228387 87564152 1 O7C13H28 A7B13C28 -360.85 4.93 -10.4 0.48 0
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228388 87564153 1 N3O4H17C20 A3B4C17D20 -57.68 8.85 -8.54 -1.4 0
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228389 87564167 1 OS2N6H16C17 AB2C6D16E17 97.6 7.91 -8.56 -1.15 0
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228390 87564176 2 PC12H22 AB12C22 -90.23 1.99 -8.23 2.87 0
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228391 87564181 1 O2N3C15H15 A2B3C15D15 16.86 6.29 -8.94 -1.06 0
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228392 87564183 1 BrON3C30H38 ABC3D30E38 -16.49 3.61 -9.35 -0.63 0
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228393 87564184 1 FS2O3N8C24H25 AB2C3D8E24F25 32.47 5.91 -8.77 -1.3 0
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228394 87564189 1 O3H20C21 A3B20C21 -59.62 5.54 -8.63 -0.63 0
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228395 87564193 1 O5N11H57C59 A5B11C57D59 66.31 13.02 -7.96 -1.73 0