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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82567 49856187 1 FN2C14H19 AB2C14D19 -27.22 3.55 -8.32 -0.06 0
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82568 49856188 1 FN2C14H19 AB2C14D19 -25.95 3.32 -8.44 -0.23 0
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82569 49856189 1 FN3C15H20 AB3C15D20 -13.54 3.51 -8.21 -0.28 0
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82570 49856190 1 FN2C13H17 AB2C13D17 -23.34 4.59 -8.52 -0.23 0
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82571 49856191 1 FN2C14H19 AB2C14D19 -27.07 4.56 -8.37 -0.12 0
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82572 49856196 1 PO2C26H35 AB2C26D35 -84.84 3.33 -8.27 0.06 0
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82573 49856198 1 SN5O9C40H47 AB5C9D40E47 -229.53 12.34 -9.17 -0.88 0
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82574 49856199 1 SF2N5O9C39H45 AB2C5D9E39F45 -396.6 14.89 -9.46 -1.36 0
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82575 49856200 1 SN5O9C40H45 AB5C9D40E45 -244.73 6.98 -9.15 -0.9 0
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82576 49856202 1 SF2N5O8C42H55 AB2C5D8E42F55 -401.75 7.87 -9.43 -0.86 0
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82577 49856203 1 SF2N5O10C38H45 AB2C5D10E38F45 -410.23 10.39 -9.84 -1.56 0
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82581 49856208 1 ClN2O4C6H12 AB2C4D6E12 -23.31 9.46 0.0 0.0 -3
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82582 49856209 1 ClNPO5C6H12 ABCD5E6F12 -72.7 7.8 0.0 0.0 0
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82583 49856210 1 CaKH5C6O8 ABC5D6E8 -449.7 12.19 -9.4 -0.09 0
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82584 49856211 1 KMgH5C6O8 ABC5D6E8 -423.26 10.17 -9.9 -0.91 0
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82585 49856212 1 CaNaH5C6O8 ABC5D6E8 -477.03 7.41 -9.86 -0.87 0
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82586 49856213 1 SN5O5C28H31 AB5C5D28E31 -117.52 6.49 -8.5 -1.4 0
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82587 49856214 1 SN5O5C27H29 AB5C5D27E29 -117.46 8.9 -8.39 -1.42 -1
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82588 49856215 1 N2O5C7H15 A2B5C7D15 -212.09 11.01 0.0 0.0 -1
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82589 49856216 1 N2O3C6H15 A2B3C6D15 -135.62 7.75 0.0 0.0 0
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82590 49856217 1 NNaO3C19H22 ABC3D19E22 -182.14 8.81 -8.92 -0.5 0
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82591 49856218 1 ClO4N6C30H35 AB4C6D30E35 -100.65 10.88 -8.68 -0.79 0
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82592 49856220 2 O3C16H30 A3B16C30 -389.64 3.85 -10.72 0.57 0
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82593 49856222 1 O6C45H86 A6B45C86 -451.18 4.36 -10.62 0.51 0
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82594 49856223 1 O5N8C41H42 A5B8C41D42 -65.32 4.79 -8.7 -0.53 0
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82595 49856224 4 ON2C10H10 AB2C10D10 -20.83 5.58 -8.75 -0.5 0
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82596 49856225 1 O5N8C40H40 A5B8C40D40 -52.69 4.25 -8.69 -0.54 0
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82597 49856226 1 SO2N3H11C17 AB2C3D11E17 65.72 5.71 -9.11 -1.7 0
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82598 49856227 1 BrNOC10H12 ABCD10E12 -12.98 6.14 -8.53 -0.68 0
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82599 49856228 1 ZnS2N9O11C81H89 AB2C9D11E81F89 -128.81 14.76 -7.61 -1.96 1
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82600 49856231 1 S2N9O13C83H96 A2B9C13D83E96 -248.34 9.86 0.0 0.0 0
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82604 49856235 2 OC10H12 AB10C12 -52.88 4.31 -9.88 -0.34 0
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82605 49856236 1 N3O7C33H33 A3B7C33D33 -239.8 3.4 -8.43 -1.31 0
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82606 49856237 1 ClFN5O7C28H29 ABC5D7E28F29 -234.37 8.14 -8.6 -1.61 0
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82607 49856238 8 OC2H2 AB2C2 -296.27 5.69 -9.11 -1.19 0
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82608 49856239 1 O2C21H26 A2B21C26 -45.4 4.21 -9.84 -0.13 0
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82609 49856241 1 FPO2N6H30C32 ABC2D6E30F32 3.65 6.08 -8.58 -1.14 0
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82610 49856242 1 ClFPN4O4H31C32 ABCD4E4F31G32 -134.91 4.0 -8.86 -1.31 0
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82611 49856243 1 PO2N4C26H29 AB2C4D26E29 -17.5 6.68 -8.64 -0.97 0
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82612 49856244 1 ClFPO2N4H23C24 ABCD2E4F23G24 -64.07 4.64 -8.82 -1.3 0
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82613 49856245 1 BrFPO2N4H23C24 ABCD2E4F23G24 -52.87 4.17 -8.83 -1.39 0
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82614 49856246 1 SO2N4C20H22 AB2C4D20E22 17.39 3.73 -9.06 -0.44 0
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82615 49856247 1 ON4C21H22 AB4C21D22 49.54 5.6 -8.99 -0.3 0
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82616 49856248 1 O2F3N5H26C28 A2B3C5D26E28 -123.84 5.03 -8.81 -0.68 0
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82617 49856249 1 O2F3N5H32C35 A2B3C5D32E35 -53.54 8.74 -7.55 -0.92 0
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82618 49856250 1 ON4C27H34 AB4C27D34 14.41 5.28 -9.05 -0.1 0
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82619 49856251 1 OF3N5H26C28 AB3C5D26E28 -83.17 3.38 -8.82 -0.75 0
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82620 49856252 1 BrOSN5C17H18 ABCD5E17F18 49.38 3.6 -9.24 -1.57 0
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82621 49856253 1 BrOSN5C17H18 ABCD5E17F18 48.67 3.96 -9.23 -1.57 0
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82622 49856254 1 ON5C13H17 AB5C13D17 4.99 4.89 -9.62 -1.23 0
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82623 49856255 1 ON5C13H17 AB5C13D17 11.24 4.99 -9.26 -1.27 0
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82624 49856256 1 BrOSN5C16H16 ABCD5E16F16 51.47 4.64 -9.23 -1.58 0
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82625 49856258 1 BrOSN5C17H18 ABCD5E17F18 43.6 5.06 -9.27 -1.59 0
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82626 49856259 1 OF2N5H21C23 AB2C5D21E23 -24.01 6.17 -9.47 -0.78 0
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82627 49856260 1 OF3N4H21C24 AB3C4D21E24 -82.46 4.58 -9.29 -0.61 0
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82628 49856261 1 O2N5H21C22 A2B5C21D22 65.0 6.96 -8.27 -0.65 0
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82629 49856262 1 O2N5H19C22 A2B5C19D22 67.5 6.38 -8.64 -0.67 0
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82630 49856263 1 FO2N4H19C23 AB2C4D19E23 10.41 5.91 -8.6 -0.57 0
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82631 49856264 1 O3N4H22C24 A3B4C22D24 17.51 5.22 -8.54 -0.3 0
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82632 49856265 1 S2F3N3O8H22C30 A2B3C3D8E22F30 -269.67 12.77 -9.66 -1.79 0
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82633 49856266 1 SN2F3O3H21C25 AB2C3D3E21F25 -196.56 4.55 -8.94 -1.46 0
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82634 49856267 1 SN2F3O4H21C25 AB2C3D4E21F25 -238.67 4.29 -8.88 -1.39 0
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82635 49856268 1 S2F3N3O6H22C30 A2B3C3D6E22F30 -194.7 11.34 -9.07 -1.62 0
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82636 49856269 1 S2N3O8H15C21 A2B3C8D15E21 -82.56 7.63 -9.94 -1.98 0
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82637 49856270 1 NI4O4H29C35 AB4C4D29E35 45.96 4.06 -8.89 -1.39 0
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82638 49856272 1 NI4O4H17C18 AB4C4D17E18 -62.74 3.03 -9.0 -1.45 0
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82639 49856273 1 NI3O4C18H18 AB3C4D18E18 -79.4 6.15 -8.93 -1.32 0
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82640 49856274 1 NI4O4H17C18 AB4C4D17E18 -56.94 3.68 -9.03 -1.47 0
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82641 49856275 1 NI3O4C18H18 AB3C4D18E18 -77.74 3.01 -9.0 -1.5 0
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82642 49856277 1 N2O3C21H32 A2B3C21D32 -115.81 4.08 -8.7 -0.35 0
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82643 49856278 1 N3O3C24H35 A3B3C24D35 -90.77 6.56 -8.64 -0.37 0
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82644 49856279 1 O2N5C24H33 A2B5C24D33 -17.16 4.88 -8.68 -0.4 0
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82645 49856280 1 O2N3C26H35 A2B3C26D35 -35.1 5.25 -8.13 -0.37 0
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82646 49856281 1 F3N3O3C28H34 A3B3C3D28E34 -240.74 7.81 -8.86 -0.87 0
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82647 49856282 1 ClO2N8C22H23 AB2C8D22E23 47.14 3.79 -8.27 -1.22 0