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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17202 487710 1 FSN5O9C36H38 ABC5D9E36F38 -289.89 14.81 -8.76 -1.21 0
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17203 488109 1 F2N3O6C44H51 A2B3C6D44E51 -303.43 2.91 -8.97 -0.73 0
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17204 488110 1 F2N3O8C40H49 A2B3C8D40E49 -417.33 6.86 -8.64 -0.44 0
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17205 488180 1 ON3C24H35 AB3C24D35 -44.69 3.19 -7.88 0.33 0
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17206 488182 1 NO7H17C18 AB7C17D18 -129.15 3.62 -8.83 -1.35 0
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17207 488184 1 SN3O4C13H18 AB3C4D13E18 -76.52 8.46 0.0 0.0 -1
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17208 488202 1 N2O4H18C21 A2B4C18D21 -46.57 5.67 -8.48 -0.74 0
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17209 488268 1 BrS2N3C13H14 AB2C3D13E14 74.86 3.44 -9.1 -0.49 0
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17210 488368 1 FO3N4C19H23 AB3C4D19E23 -135.84 13.81 -9.2 -1.02 0
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17211 488371 1 FO3N4C20H25 AB3C4D20E25 -145.58 12.85 -9.14 -0.92 0
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17212 488408 1 OSN2C17H20 ABC2D17E20 -7.68 7.47 -9.38 -0.38 0
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17213 488656 1 FO3N4C18H23 AB3C4D18E23 -148.97 13.65 -9.14 -0.97 0
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17214 488740 1 Cl2N6H18C21 A2B6C18D21 116.56 10.11 -8.66 -0.68 0
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17215 488817 2 N2H9C10 A2B9C10 115.27 1.98 -9.04 -1.16 0
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17216 488818 1 N4H20C21 A4B20C21 110.26 2.51 -9.04 -1.19 0
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17217 488995 1 N2O13C45H82 A2B13C45D82 -644.77 3.45 -8.79 0.64 0
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17218 488996 1 N2O13C46H84 A2B13C46D84 -646.87 6.69 -8.76 0.63 0
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17219 489030 2 NO6C21H35 AB6C21D35 -549.09 5.35 -8.64 0.35 0
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17220 489094 1 N5O17C56H93 A5B17C56D93 -499.01 3.49 -8.19 -1.57 0
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17221 489098 1 ON3H9C10 AB3C9D10 45.8 2.52 -10.1 -1.2 0
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17222 489099 3 NOC3H3 ABC3D3 22.06 5.11 -9.46 -1.12 0
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17223 489125 1 O2N3H17C23 A2B3C17D23 0.56 7.31 -8.32 -1.4 0
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17224 489176 1 ON3C26H43 AB3C26D43 -64.38 2.57 -7.4 -0.23 0
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17225 489311 1 N2S2O3C29H36 A2B2C3D29E36 -62.67 6.37 -8.99 -0.96 0
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17226 489332 1 ClSO2N3C33H34 ABC2D3E33F34 -17.14 4.38 -8.62 -0.82 0
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17227 489333 1 ClO2N4C34H37 AB2C4D34E37 -22.41 5.95 -8.57 -0.22 0
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17228 489382 1 O4N6C39H58 A4B6C39D58 -55.5 8.96 -7.16 -0.14 0
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17229 489388 2 N2O5C24H37 A2B5C24D37 -509.28 1.96 -9.49 0.12 0
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17230 489389 1 N4O9C48H72 A4B9C48D72 -412.21 3.91 -9.57 0.03 0
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17231 489390 1 N4O9C43H62 A4B9C43D62 -426.71 3.18 -9.64 -0.06 0
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17232 489445 1 ON5C21H27 AB5C21D27 29.14 4.19 -8.04 -0.08 0
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17233 489497 1 N3O5C23H23 A3B5C23D23 -131.51 3.2 -9.53 -0.93 0
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17235 489572 1 SO2N6C9H12 AB2C6D9E12 8.1 8.06 -9.55 -0.77 0
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17236 489585 1 PN5O11C32H58 AB5C11D32E58 -561.81 8.75 -9.96 -0.82 0
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17237 489675 1 N4O14C45H54 A4B14C45D54 -476.35 6.83 -8.52 -1.26 0
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17238 489739 2 SN2O3C17H17 AB2C3D17E17 -165.59 8.21 -8.77 -0.9 0
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17239 489770 1 N3O8C37H47 A3B8C37D47 -339.86 3.59 -9.49 -0.07 0
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17240 489772 1 N3O7C37H49 A3B7C37D49 -290.07 5.82 -9.51 -0.05 0
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17241 489868 1 PN5O6C20H28 AB5C6D20E28 -255.24 5.33 -9.52 -0.47 0
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17242 489891 1 ClN5O5C12H14 AB5C5D12E14 -155.12 7.66 -9.5 -0.78 0
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17243 489892 1 BrN5O5C12H14 AB5C5D12E14 -144.45 6.96 -9.69 -0.87 0
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17244 489929 1 O15C29H36 A15B29C36 -618.46 3.23 -8.28 -0.77 0
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17245 489942 1 O3C30H46 A3B30C46 -183.96 6.25 -9.03 0.16 0
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17246 490203 1 N5O11C43H57 A5B11C43D57 -400.16 7.3 -8.27 -0.72 0
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17247 490383 1 BrN5O5C10H14 AB5C5D10E14 -152.91 1.61 -9.38 -1.23 0
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17248 490427 1 IN2O4C11H13 AB2C4D11E13 -133.04 2.97 -9.67 -1.58 0
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17249 490459 1 N5O5C18H19 A5B5C18D19 -96.38 9.55 -8.42 -0.86 0
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17250 490499 1 PN8O9C18H27 AB8C9D18E27 -347.39 7.45 -9.56 -1.08 0
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17252 490503 1 PN5O11C18H28 AB5C11D18E28 -525.66 4.98 -9.46 -0.33 0
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17253 490510 1 OSN4C9H10 ABC4D9E10 24.43 4.07 -9.06 -1.01 0