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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317201 126632950 1 SN4H46C67 AB4C46D67 300.7 3.91 -7.88 -0.8 0
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317203 126633049 1 OC10H14 AB10C14 -18.82 2.63 -8.37 -0.09 0
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317204 126633154 1 NH29C48 AB29C48 200.43 2.56 -8.17 -1.07 0
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317205 126633165 1 NH29C46 AB29C46 191.14 1.82 -8.19 -0.9 0
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317206 126633211 1 NH29C48 AB29C48 210.2 2.62 -8.15 -1.09 0
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317207 126633224 1 O5C24H32 A5B24C32 -206.12 3.17 -9.25 -0.84 0
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317208 126633261 1 FN3O5C35H36 AB3C5D35E36 -142.91 6.72 -8.75 -0.92 0
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317209 126633262 1 FN4O5C45H47 AB4C5D45E47 -40.31 6.17 -8.12 -1.67 0
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317210 126633264 1 FN3O6H34C35 AB3C6D34E35 -170.45 2.85 -8.95 -1.12 0
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317211 126633309 1 NO8C17H23 AB8C17D23 -319.63 2.74 -9.8 -1.36 0
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317212 126633314 1 N2O9C31H32 A2B9C31D32 -286.48 5.48 -9.47 -1.76 0
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317213 126633352 1 NOC21H23 ABC21D23 22.83 4.89 -8.76 -0.64 0
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317214 126633380 1 O2C19H20 A2B19C20 2.33 4.27 -9.95 -0.88 0
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317215 126633382 1 N3O7C33H51 A3B7C33D51 -276.47 9.02 -8.2 -0.57 0
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317216 126633400 1 O6C27H32 A6B27C32 -203.04 6.63 -9.13 -1.5 0
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317217 126633659 1 ClFO2S2N3H19C20 ABC2D2E3F19G20 -38.5 4.86 -8.73 -1.12 0
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317218 126633855 2 NO3C12H18 AB3C12D18 -183.03 0.71 -9.15 -0.33 0
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317219 126633862 1 O2C13H20 A2B13C20 -99.18 2.55 -9.3 0.17 0
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317220 126634406 1 O2N5F6H17C18 A2B5C6D17E18 -302.61 6.28 -10.11 -1.87 -1
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317221 126634409 1 ClNO2S2H3C4 ABC2D2E3F4 -10.7 3.18 0.0 0.0 0
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317222 126634428 1 SO2C12H22 AB2C12D22 -129.97 3.57 -9.07 0.27 0
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317223 126634436 1 NO5H19C20 AB5C19D20 -158.17 5.01 -9.24 -0.76 0
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317224 126634471 1 O5F14H24C44 A5B14C24D44 -704.83 7.62 -9.71 -1.56 0
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317225 126634473 1 O2C21H30 A2B21C30 -88.13 2.68 -8.67 -0.45 0
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317226 126634486 1 N4O4C19H22 A4B4C19D22 -100.73 4.89 -8.67 -0.58 0
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317227 126634526 1 N3O4C12H21 A3B4C12D21 -205.45 4.82 -9.43 0.57 0
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317228 126634547 1 FSO2N3C32H36 ABC2D3E32F36 -56.33 2.77 -8.42 -0.84 0
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317229 126634553 1 FNO2C21H30 ABC2D21E30 -145.78 2.03 -7.95 0.08 0
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317230 126634558 1 FNO3H16C23 ABC3D16E23 -53.27 3.57 -8.79 -1.27 0
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317231 126634567 1 ClSO2N4C24H33 ABC2D4E24F33 -60.5 4.41 -8.69 -0.78 0
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317233 126634582 1 ON2C11H24 AB2C11D24 -57.06 2.75 -9.11 1.58 0
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317235 126634626 1 N4O5C32H34 A4B5C32D34 -50.64 2.59 -8.38 -0.98 0
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317236 126634639 1 OF5C25H39 AB5C25D39 -351.85 5.15 -9.8 -0.66 0
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317238 126634663 1 N3S3C17H17 A3B3C17D17 97.57 2.61 -8.24 -0.72 0
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317239 126634672 1 N4H42C65 A4B42C65 475.35 3.02 -8.09 -1.86 0
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317240 126634682 1 OS3N5C19H19 AB3C5D19E19 80.88 2.62 -8.38 -1.13 0
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317241 126634702 1 N2O2C21H32 A2B2C21D32 -86.61 2.8 -7.82 0.24 0
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317242 126634704 1 NO3C23H27 AB3C23D27 -86.22 5.18 -8.36 -0.05 0
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317245 126634718 1 ON3S4C19H19 AB3C4D19E19 69.26 2.51 -8.36 -1.29 0
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317249 126634736 2 F3C10H12 A3B10C12 -307.67 5.14 -9.47 -0.11 0
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317252 126635176 1 ClON2S2C19H25 ABC2D2E19F25 -16.9 2.69 -8.73 -1.21 0
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317254 126635199 1 FOS2N3C14H16 ABC2D3E14F16 -31.32 1.6 -8.77 -1.56 0
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317256 126635245 1 FNO2H8C9 ABC2D8E9 -60.98 6.96 -9.76 -0.94 1
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317257 126635247 1 ON2C19H29 AB2C19D29 -18.54 3.21 0.0 0.0 0
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317261 126635268 1 N5O12C36H57 A5B12C36D57 -565.82 10.57 -9.51 -0.55 0
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317262 126635269 1 BrFSN3H7C9 ABCD3E7F9 18.88 5.21 -8.69 -1.27 0
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317263 126635270 1 ClON2S2C9H13 ABC2D2E9F13 -16.41 3.97 -8.79 -0.83 0
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317264 126635276 1 O3N4C33H36 A3B4C33D36 -79.12 11.02 -8.64 -0.7 0
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317266 126635278 1 OSN3C23H35 ABC3D23E35 -29.66 4.94 -8.66 -0.96 0
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317267 126635279 1 O2N4C29H38 A2B4C29D38 -67.21 1.94 -8.51 -0.37 0