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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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323186 126673316 1 ClN3O4C12H14 AB3C4D12E14 -164.47 6.63 -9.43 -1.26 0
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323187 126673320 2 ClNO3C18H18 ABC3D18E18 -156.69 2.87 -8.44 -0.48 0
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323188 126673325 1 N7O8C24H29 A7B8C24D29 -106.35 11.57 -9.23 -1.7 0
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323189 126673354 1 F2S2O3N4C21H30 A2B2C3D4E21F30 -217.69 2.16 -8.63 -0.67 0
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323190 126673364 1 N2O3C27H28 A2B3C27D28 -34.31 4.98 -8.3 -0.11 0
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323191 126673373 1 ClN2O3C12H15 AB2C3D12E15 -124.25 2.06 -9.09 -0.87 0
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323192 126673385 1 ClSN2O4H15C20 ABC2D4E15F20 -82.14 2.67 -9.25 -1.37 0
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323193 126673387 1 ClN3O4C19H22 AB3C4D19E22 -146.48 6.78 -8.93 -1.11 0
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323194 126673402 1 S2O3N5C24H29 A2B3C5D24E29 -50.19 5.82 -8.64 -0.83 0
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323195 126673425 1 O3H14C15 A3B14C15 -37.26 4.66 -9.84 -0.71 0
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323196 126673440 2 SO8C18H29 AB8C18D29 -658.61 8.46 -9.47 -0.73 1
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323197 126673469 1 NO2C23H46 AB2C23D46 -120.82 3.93 0.0 0.0 0
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323198 126673507 1 SF3N3O5H20C23 AB3C3D5E20F23 -257.54 5.03 -8.68 -1.76 0
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323199 126673510 1 SN3O4F5H20C24 AB3C4D5E20F24 -334.87 4.44 -8.84 -1.14 0
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323200 126673537 1 SF3N4O5H35C36 AB3C4D5E35F36 -217.06 6.85 -8.32 -0.76 0
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323201 126673538 1 FSN4O5C37H41 ABC4D5E37F41 -165.07 5.16 -8.68 -0.39 0
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323202 126673567 1 SF3N3O6H22C25 AB3C3D6E22F25 -328.28 6.33 -8.65 -1.36 0
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323203 126673583 1 O4N5C22H25 A4B5C22D25 -58.81 3.04 -8.3 -0.35 0
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323204 126673584 1 SN2O5H22C23 AB2C5D22E23 -110.36 6.25 -8.5 -0.67 0
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323205 126673609 1 NO4C29H39 AB4C29D39 -177.54 4.82 -8.77 -0.33 0
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323206 126673612 1 SN3F5O6H28C29 AB3C5D6E28F29 -454.5 3.47 -8.66 -1.25 0
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323207 126673637 1 NSO3H13C15 ABC3D13E15 -35.53 3.75 -8.98 -0.7 0
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323208 126673640 1 SF3N4O9C39H41 AB3C4D9E39F41 -399.62 1.85 -7.83 -0.98 0
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323209 126673645 1 NS2O6H17C18 AB2C6D17E18 -180.72 4.11 -9.25 -0.86 0
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323210 126673662 1 F3N5O6H32C33 A3B5C6D32E33 -295.96 5.37 -9.1 -1.13 0
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323211 126673676 1 F3N5O5H32C33 A3B5C5D32E33 -253.63 7.74 -9.09 -1.23 0
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323212 126673677 1 PF3N5O6C26H27 AB3C5D6E26F27 -383.25 11.0 -9.31 -1.46 0
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323213 126673684 2 NOC11H12 ABC11D12 -39.37 2.17 -8.19 -0.19 0
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323214 126673702 1 S2F3N3O6C24H24 A2B3C3D6E24F24 -326.13 7.13 -8.62 -0.99 0
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323215 126673704 1 SF2N2O5H14C18 AB2C2D5E14F18 -230.17 4.47 -8.94 -1.15 0
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323216 126673705 1 NSO4H13C15 ABC4D13E15 -59.97 4.05 -8.98 -0.77 0
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323217 126673706 1 O2N6C25H28 A2B6C25D28 -11.62 1.09 -8.75 -0.98 0
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323219 126673708 1 NO11C41H69 AB11C41D69 -475.33 6.46 -8.21 -0.08 0
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323220 126673709 1 OCl2N4C14H20 AB2C4D14E20 -81.67 9.2 -9.2 -1.14 0
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323221 126673710 1 OCl2N4C16H24 AB2C4D16E24 -96.45 5.01 -9.76 -1.18 0
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323222 126673711 1 N2O2H8C17 A2B2C8D17 55.44 1.92 -9.46 -2.53 0
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323223 126673712 1 O2N7C26H31 A2B7C26D31 -1.4 5.37 -8.72 -0.99 0
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323224 126673713 1 IO5H19C28 AB5C19D28 -81.97 3.01 -8.35 -0.86 0
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323225 126673714 1 FSO3N5H18C21 ABC3D5E18F21 -30.28 6.35 -8.51 -1.43 0
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323226 126673715 1 O5H22C29 A5B22C29 -108.93 2.0 -8.28 -0.79 0
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323227 126673716 1 BrON2C9H11 ABC2D9E11 -21.95 4.43 -8.58 0.03 0
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323228 126673717 1 BrON2C9H11 ABC2D9E11 -21.95 4.42 -8.58 0.03 0
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323229 126673718 1 IO7H37C39 AB7C37D39 -201.87 4.75 -8.29 -0.78 0
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323230 126673719 1 BrON3H4C6 ABC3D4E6 28.23 5.49 -9.41 -1.03 0
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323231 126673720 1 O7C40H40 A7B40C40 -226.5 3.98 -8.13 -0.68 0
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323232 126673737 1 O2N3H11C14 A2B3C11D14 44.98 4.66 -8.83 -1.74 0
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323233 126673743 1 ClON4H13C15 ABC4D13E15 62.5 7.86 -9.21 -0.81 0
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323234 126673744 1 NO3C5H11 AB3C5D11 -152.87 5.94 -10.8 0.46 0
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323235 126673745 1 BrN2O3C9H9 AB2C3D9E9 -25.25 6.67 -8.9 -1.39 0
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323236 126673747 1 BrN2O3C9H9 AB2C3D9E9 -25.26 6.68 -8.9 -1.39 0
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323237 126673754 1 BrN4O4H29C33 AB4C4D29E33 1.76 2.56 -8.39 -0.61 0
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323238 126673756 2 NOH4C5 ABC4D5 -20.69 0.75 -10.02 -1.56 0
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323239 126673758 1 BrON3H14C16 ABC3D14E16 61.5 7.23 -9.08 -0.48 0
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323240 126673759 1 O3N4C21H22 A3B4C21D22 -42.23 2.22 -8.41 -1.33 0
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323241 126673760 1 O3N4C21H22 A3B4C21D22 3.83 2.2 -8.41 -1.58 0
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323242 126673763 1 BrN2O3C10H11 AB2C3D10E11 -17.71 5.94 -9.44 -1.14 0
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323243 126673764 1 N2O5C9H10 A2B5C9D10 -185.06 3.61 -9.24 -0.47 0
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323244 126673768 1 O2N6C19H22 A2B6C19D22 22.3 10.79 -8.13 -0.32 0
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323245 126673770 1 O3N4H14C16 A3B4C14D16 -13.36 11.89 -9.39 -1.33 0
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323246 126673772 1 Br2N2O5C10H10 A2B2C5D10E10 -109.75 3.09 -9.99 -1.56 0
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323247 126673773 1 N2O3C10H16 A2B3C10D16 -95.47 3.2 -9.7 0.09 0
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323248 126673776 1 Br2N2O5C10H10 A2B2C5D10E10 -109.75 8.82 -9.66 -1.2 0
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323249 126673777 1 NO5C7H11 AB5C7D11 -219.61 4.94 -10.24 -0.1 0
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323250 126673778 1 BrO2N4H15C18 AB2C4D15E18 10.99 7.12 -9.2 -1.47 0
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323251 126673779 1 BrFN2O3H6C7 ABC2D3E6F7 -65.83 3.05 -9.35 -1.34 0
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323252 126673792 1 N2O4C11H16 A2B4C11D16 -135.25 3.99 -9.7 -0.13 0
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323253 126673796 1 BrON2H9C10 ABC2D9E10 15.87 7.23 -8.54 -0.58 0
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323254 126673811 1 N3O5C13H15 A3B5C13D15 -152.91 6.5 -9.64 -1.09 0
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323255 126673821 1 BrO2N4H15C18 AB2C4D15E18 10.3 2.62 -9.1 -1.52 0
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323256 126673823 1 BrFN2O3C13H20 ABC2D3E13F20 -161.71 5.86 -8.61 -0.16 0
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323257 126673831 1 NF3O5C8H12 AB3C5D8E12 -374.65 5.48 -10.36 -0.44 0
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323258 126673846 1 BrN4O4C18H21 AB4C4D18E21 -111.73 2.89 -8.89 -0.62 0
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323259 126673859 1 BrON2H7C9 ABC2D7E9 26.5 6.45 -8.94 -0.55 0
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323260 126673860 1 BrN3O3C16H16 AB3C3D16E16 -39.41 4.75 -8.71 -0.74 0
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323261 126673870 1 N2H22C31 A2B22C31 147.05 2.0 -8.06 -0.44 0