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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165191 74514038 1 O4N5C16H18 A4B5C16D18 -88.58 3.9 0.0 0.0 0
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165192 74514576 1 F2N4O5C24H24 A2B4C5D24E24 -206.96 4.09 -9.17 -1.19 0
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165193 74515139 1 Cl2N3O4H11C16 A2B3C4D11E16 -17.02 5.13 -9.81 -1.71 0
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165194 74515440 1 SN2O6C25H26 AB2C6D25E26 -164.06 4.39 -8.76 -1.23 0
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165195 74515517 1 NSF2O4H13C15 ABC2D4E13F15 -196.83 9.98 -9.36 -1.34 0
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165196 74515518 1 NSF2O5C19H19 ABC2D5E19F19 -239.62 9.89 -9.19 -0.78 0
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165197 74515519 1 NSF3O3H12C16 ABC3D3E12F16 -202.13 9.19 -9.63 -1.23 0
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165198 74515667 1 FN2O4H15C16 AB2C4D15E16 -120.94 2.74 -9.09 -1.25 0
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165199 74515955 1 ClO2N4H23C24 AB2C4D23E24 4.95 6.77 -8.64 -0.69 0
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165200 74516239 2 FOH9C12 ABC9D12 -88.67 2.1 -9.64 -0.94 0
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165201 74516240 1 OSN2C6H6 ABC2D6E6 -4.9 2.21 -9.26 -0.83 0
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165202 74516241 1 ClNO3H14C17 ABC3D14E17 -75.52 4.05 -9.41 -1.22 0
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165203 74516242 1 ClINOH13C16 ABCDE13F16 23.06 4.6 -9.02 -1.05 0
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165204 74516243 1 S2N3H19C20 A2B3C19D20 160.21 5.3 -8.85 -1.34 -1
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165205 74516244 1 O2N4H13C15 A2B4C13D15 76.72 0.79 0.0 0.0 0
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165206 74516245 1 O2N4H14C15 A2B4C14D15 31.96 2.58 -9.35 -1.46 0
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165207 74516246 1 BrN3O4C11H12 AB3C4D11E12 -50.08 6.42 -9.0 -1.48 0
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165208 74516247 1 ClN3O4C11H12 AB3C4D11E12 -61.47 6.47 -8.93 -1.49 0
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165209 74516294 1 N3O4C10H11 A3B4C10D11 -40.54 3.79 -9.2 -1.51 0
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165210 74517218 1 SN2O5C14H20 AB2C5D14E20 -212.24 8.06 -9.59 -0.72 0
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165211 74517219 2 NOC9H13 ABC9D13 -75.14 5.54 -8.7 -0.65 0
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165212 74517605 1 SN4O4C20H20 AB4C4D20E20 -72.74 6.64 -8.76 -1.36 -1
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165213 74519245 1 Cl4N4O4H17C19 A4B4C4D17E19 -149.37 3.87 0.0 0.0 0
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165214 74519246 1 Cl2O3N4H10C11 A2B3C4D10E11 -125.03 3.03 -9.3 -0.79 0
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165215 74519617 1 NS3O5C23H23 AB3C5D23E23 -99.0 5.19 -7.48 -0.97 1
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165216 74519618 1 NS3O5C23H24 AB3C5D23E24 -129.21 4.14 0.0 0.0 0
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165217 74519724 1 OCl2S2N3H15C18 AB2C2D3E15F18 61.27 5.13 -8.82 -1.37 0
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165218 74519725 1 ON3S3H17C21 AB3C3D17E21 111.74 4.51 -8.76 -1.4 0
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165219 74519726 1 OCl2S2N3H13C17 AB2C2D3E13F17 66.25 2.65 -8.94 -1.55 0
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165220 74519727 1 OCl2S2N3H15C18 AB2C2D3E15F18 59.85 3.99 -8.85 -1.42 0
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165221 74519728 1 NO5H19C23 AB5C19D23 -108.92 6.2 -8.83 -1.08 0
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165222 74519775 2 NO2H8C9 AB2C8D9 -70.0 3.48 -8.93 -1.24 0
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165223 74519776 1 ClN3O4H12C17 AB3C4D12E17 4.03 2.53 -9.09 -1.88 0
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165224 74519777 1 F2N2O2H12C17 A2B2C2D12E17 -77.27 3.17 -8.88 -1.19 0
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165225 74519778 1 F2N2O2H12C17 A2B2C2D12E17 -77.68 2.6 -9.05 -1.52 0
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165226 74519779 1 N2F4O4H14C19 A2B4C4D14E19 -281.47 4.6 -8.94 -1.4 0
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165227 74519780 1 ClN3O3H18C24 AB3C3D18E24 -10.95 10.34 -8.89 -1.04 0
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165228 74519781 1 N2O4C21H22 A2B4C21D22 -74.9 4.9 -8.66 -1.31 0
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165229 74519782 1 BrSN2O2H11C15 ABC2D2E11F15 21.65 5.0 -8.91 -1.74 0
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165230 74519783 1 N3O5C27H33 A3B5C27D33 -134.85 8.16 -8.51 -1.1 0
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165231 74519784 1 N3O5C24H27 A3B5C24D27 -112.12 6.77 -8.58 -1.26 0
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165232 74519785 1 SO2N5C20H25 AB2C5D20E25 15.84 2.24 -8.38 -0.51 0
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165233 74519786 1 N3O4C27H33 A3B4C27D33 -101.15 6.66 -8.57 -1.1 0
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165234 74519787 1 ClNO5H20C25 ABC5D20E25 -106.46 5.04 -8.87 -0.96 0
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165235 74519788 1 ClNO4H10C16 ABC4D10E16 -21.84 2.94 -9.47 -1.86 0
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165236 74519789 1 NO5H23C26 AB5C23D26 -104.81 5.45 -8.7 -1.04 0
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165237 74519790 1 N2O2H22C23 A2B2C22D23 6.04 5.11 -8.9 -0.49 0
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165238 74519791 1 BrO3H11C16 AB3C11D16 -52.45 2.03 -9.32 -0.9 0
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165239 74519792 1 N2O5C26H28 A2B5C26D28 -130.25 3.59 -8.91 -1.2 1
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165240 74519902 3 NOC5H8 ABC5D8 -32.86 8.71 0.0 0.0 0