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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233515 91145152 2 O2N3H8C11 A2B3C8D11 2.67 6.53 -8.94 -1.39 0
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233516 91145157 1 SO3N6C28H38 AB3C6D28E38 -76.47 1.2 -9.27 -0.15 0
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233517 91145203 1 FS2N5O5C27H30 AB2C5D5E27F30 -179.91 8.47 -8.37 -0.8 0
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233518 91145206 1 SO4C12H18 AB4C12D18 -179.5 4.2 -9.57 -0.33 1
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233519 91145208 1 N2O4C42H59 A2B4C42D59 -144.29 3.07 0.0 0.0 0
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233520 91145231 1 FS2N6H11C14 AB2C6D11E14 96.73 2.41 -8.46 -0.94 1
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233521 91145239 1 NC6H10 AB6C10 40.46 2.06 0.0 0.0 0
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233522 91145240 1 OF3N6C16H17 AB3C6D16E17 -114.66 5.66 -8.69 -1.13 0
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233523 91145251 1 OSN3H7C13 ABC3D7E13 112.9 3.18 -9.01 -1.53 0
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233524 91145262 1 ClO2N4C17H17 AB2C4D17E17 -7.23 6.17 -9.36 -1.07 0
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233525 91145272 1 N2O2F3C18H21 A2B2C3D18E21 -224.64 5.43 -9.72 -0.79 0
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233526 91145273 1 FIN3O6H27C28 ABC3D6E27F28 -202.92 2.55 -8.67 -1.24 0
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233527 91145291 1 SN3O5C21H33 AB3C5D21E33 -184.88 8.38 -8.52 -0.25 0
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233528 91145292 1 ClN2O2C18H27 AB2C2D18E27 -90.74 4.48 -8.89 -0.18 0
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233529 91145296 1 FNCl2O4H16C20 ABC2D4E16F20 -177.33 2.39 -8.95 -1.24 0
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233530 91145297 1 BrFO2C12H14 ABC2D12E14 -131.29 2.47 -9.94 -0.37 2
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233531 91145340 1 O2N4C13H14 A2B4C13D14 107.59 1.72 -8.08 -0.85 1
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233532 91145341 1 O2N4C13H13 A2B4C13D13 114.75 2.07 0.0 0.0 0
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233533 91145346 2 N2O2C6H7 A2B2C6D7 -66.47 4.8 -8.62 -0.65 0
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233534 91145351 1 ON2C12H16 AB2C12D16 40.57 3.1 -8.52 0.41 0
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233535 91145358 2 S2H13C16 A2B13C16 154.14 0.88 -7.89 -0.86 0
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233536 91145360 1 FSN3O4C23H26 ABC3D4E23F26 -181.19 7.85 -8.97 -0.87 0
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233537 91145361 1 N2O5H26C27 A2B5C26D27 -78.86 3.28 -8.64 -0.9 0
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233538 91145363 1 BrN2O3C25H25 AB2C3D25E25 -83.9 5.65 -8.74 -1.06 0
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233539 91145364 1 SO14C32H32 AB14C32D32 -477.64 1.73 -8.74 -0.69 0