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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175138 75859819 1 SN3O3C18H30 AB3C3D18E30 -99.6 4.56 0.0 0.0 1
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175139 75859820 1 O2N4C25H35 A2B4C25D35 -27.4 6.57 0.0 0.0 -1
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175140 75860197 1 ClSN3O6H15C17 ABC3D6E15F17 -139.16 2.95 0.0 0.0 0
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175141 75860330 1 ON5H21C22 AB5C21D22 97.25 7.18 -8.45 -1.36 1
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175142 75860331 1 FO2N4C27H30 AB2C4D27E30 -34.95 5.24 0.0 0.0 1
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175143 75860408 1 OF3N4C20H26 AB3C4D20E26 -147.97 8.55 0.0 0.0 1
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175144 75861448 1 SO2N3C19H28 AB2C3D19E28 -50.89 12.97 0.0 0.0 -1
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175145 75861449 1 SN3O4C16H22 AB3C4D16E22 -138.72 2.04 0.0 0.0 1
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175146 75861538 1 O2N5C18H30 A2B5C18D30 -27.35 6.2 0.0 0.0 1
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175147 75861539 1 N3O4C20H22 A3B4C20D22 -59.68 5.46 0.0 0.0 1
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175148 75861540 1 N2O3C21H29 A2B3C21D29 -78.55 3.44 0.0 0.0 2
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175149 75862558 1 O2N3C22H33 A2B3C22D33 66.67 16.93 -3.97 -0.75 1
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175150 75862559 1 FON4C20H26 ABC4D20E26 -25.36 8.09 0.0 0.0 1
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175151 75862560 1 SN3O4C24H34 AB3C4D24E34 -118.97 6.69 0.0 0.0 -1
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175152 75862561 1 FSO3N6H18C19 ABC3D6E18F19 -23.49 8.65 0.0 0.0 1
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175153 75862562 1 SN4O4C24H31 AB4C4D24E31 -109.75 8.24 0.0 0.0 -1
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175154 75862563 1 O2N7H18C21 A2B7C18D21 166.69 6.46 0.0 0.0 1
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175155 75862564 1 OSN3C18H30 ABC3D18E30 -36.67 5.43 0.0 0.0 -1
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175156 75862565 1 ClN2S2O5C19H22 AB2C2D5E19F22 -160.1 4.36 0.0 0.0 1
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175157 75862566 1 N3O3C23H34 A3B3C23D34 -80.85 8.07 0.0 0.0 1
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175158 75862567 1 ON5C20H30 AB5C20D30 37.07 8.91 0.0 0.0 1
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175159 75862568 1 SO2N3C20H32 AB2C3D20E32 -72.57 14.13 0.0 0.0 1
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175160 75862569 1 SN3O5C22H36 AB3C5D22E36 -188.31 6.94 0.0 0.0 1
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175161 75862570 1 SN3O3C22H30 AB3C3D22E30 -65.01 7.31 0.0 0.0 1
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175162 75862571 1 O3S3N4C19H29 A3B3C4D19E29 -75.3 2.6 0.0 0.0 1
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175163 75862588 1 SN3O3C19H28 AB3C3D19E28 -106.38 4.56 0.0 0.0 0
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175164 75862619 1 ON2C17H32 AB2C17D32 -98.48 3.67 -8.9 1.39 1
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175165 75863003 1 SO2N5C18H28 AB2C5D18E28 -47.56 4.01 0.0 0.0 0
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175166 75863491 2 ON2C12H15 AB2C12D15 -52.29 4.29 -8.72 -0.31 1
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175167 75863492 1 O2F3N3C21H29 A2B3C3D21E29 -216.25 7.95 0.0 0.0 1
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175168 75863493 1 BrN2O2C21H24 AB2C2D21E24 -24.39 6.69 0.0 0.0 1
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175170 75863811 1 ON3C22H34 AB3C22D34 -25.47 2.85 0.0 0.0 1
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175171 75863954 1 ON4C22H33 AB4C22D33 15.04 1.33 0.0 0.0 0
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175172 75864333 1 ClS2O3N4C20H25 AB2C3D4E20F25 -90.53 8.25 -8.76 -0.78 0
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175173 75864334 1 NSCl2O3C17H17 ABC2D3E17F17 -64.97 5.41 -8.85 -1.12 0
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175174 75864335 1 ClN2O3C25H31 AB2C3D25E31 -118.02 0.53 -9.35 -0.75 0
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175175 75864336 1 SN3O3C23H27 AB3C3D23E27 -83.95 4.23 -8.52 -0.36 0
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175176 75864337 1 ClN4O4C22H31 AB4C4D22E31 -186.24 1.91 -9.32 -0.9 0
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175177 75864338 1 SN2O2H18C23 AB2C2D18E23 -16.1 1.77 -8.32 -0.63 0
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175178 75864339 1 Cl2N3O3H21C23 A2B3C3D21E23 -36.69 3.6 -8.36 -0.73 0
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175179 75864340 1 ClNO3C21H24 ABC3D21E24 -103.98 2.18 -8.46 -0.24 -1
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175180 75864382 1 N3O4H24C25 A3B4C24D25 -41.07 2.16 0.0 0.0 -1
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175181 75864383 1 N3O4H22C24 A3B4C22D24 -31.15 3.07 0.0 0.0 -1
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175182 75864384 1 SN2O5C24H25 AB2C5D24E25 -121.62 2.99 0.0 0.0 0
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175183 75864757 2 N2O2C13H13 A2B2C13D13 -105.74 5.2 -9.02 -0.7 0
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175184 75864758 1 O3N4C27H28 A3B4C27D28 -57.18 5.86 -8.19 -0.87 0
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175185 75864759 1 N5O5C23H25 A5B5C23D25 -80.2 6.39 -8.57 -1.68 0
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175186 75864760 1 FO5N6H19C22 AB5C6D19E22 -81.61 2.74 -9.0 -1.87 0
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175187 75864761 1 ClN4O5H19C22 AB4C5D19E22 -127.22 3.92 -8.55 -1.18 0
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175188 75864762 1 O3N5C24H25 A3B5C24D25 -44.13 5.07 -8.5 -1.1 0