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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14184 406263 1 N2O2S3C10H10 A2B2C3D10E10 -40.98 1.89 -9.06 -1.68 0
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14185 406266 1 S2N7H13C18 A2B7C13D18 160.14 8.78 -8.81 -1.41 0
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14186 406267 1 FO2H15C21 AB2C15D21 -40.94 3.63 -8.95 -0.96 0
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14187 406271 2 NOH12C14 ABC12D14 46.36 3.26 -8.01 -0.59 0
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14188 406272 1 FN2O2H17C24 AB2C2D17E24 -21.12 4.98 -8.79 -0.82 0
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14189 406293 1 SO2N6C16H16 AB2C6D16E16 50.53 1.89 -9.32 -1.09 0
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14190 406294 1 O2S3N4C14H14 A2B3C4D14E14 41.71 5.13 -8.95 -0.99 0
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14191 406295 1 N2O5H12C13 A2B5C12D13 -162.65 3.75 -8.69 -1.37 0
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14192 406296 1 NO3H17C22 AB3C17D22 -20.65 5.19 -8.76 -0.86 0
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14193 406297 1 NO3C13H15 AB3C13D15 -83.54 6.68 -8.44 -0.18 0
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14194 406301 1 SN2O3C17H20 AB2C3D17E20 -64.26 5.4 -8.24 -0.94 0
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14195 406310 1 SO3N4H10C16 AB3C4D10E16 -20.18 3.04 -9.27 -2.04 0
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14196 406441 1 SO4N5H17C20 AB4C5D17E20 -44.56 3.72 -9.05 -0.96 0
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14197 406542 1 ClNO3H10C18 ABC3D10E18 0.75 2.91 -9.25 -1.59 0
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14198 406571 2 O5C17H24 A5B17C24 -285.33 5.96 -9.13 -0.11 0
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14199 406630 1 NCl2S2O3H11C14 AB2C2D3E11F14 -89.2 3.7 -9.33 -1.29 0
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14200 406632 1 ClS2N4O4H17C20 AB2C4D4E17F20 10.42 6.58 -9.0 -1.52 0
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14201 406633 1 ClS2N4O4H19C21 AB2C4D4E19F21 -3.09 9.54 -8.78 -1.3 0
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14202 406634 1 ClS2N4O5H19C21 AB2C4D5E19F21 -36.67 9.96 -8.55 -1.45 0
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14203 406636 1 ClS2N5O6H16C20 AB2C5D6E16F20 10.43 9.36 -9.51 -1.92 0
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14204 406638 1 ClS2N4O4C18H21 AB2C4D4E18F21 -42.97 9.14 -8.83 -1.42 0
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14205 406639 2 NCl2O2S2H10C14 AB2C2D2E10F14 -61.08 5.87 -8.96 -1.54 0
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14206 406640 2 ClNO2S2H11C14 ABC2D2E11F14 -38.31 9.59 -8.61 -1.25 0
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14207 406641 1 ClO2S2N3H18C25 AB2C2D3E18F25 39.93 3.47 -8.99 -1.21 0
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14208 406642 1 BrClO2S2N3H15C21 ABC2D2E3F15G21 25.78 2.72 -9.17 -1.35 0
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14209 406643 1 BrClO2S2N3H19C23 ABC2D2E3F19G23 5.28 2.94 -9.16 -1.17 0
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14210 406644 1 ClO2S2N4H7C15 AB2C2D4E7F15 70.59 1.65 -9.58 -2.17 0
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14211 406648 1 ClO2S2N3H10C15 AB2C2D3E10F15 24.23 6.53 -9.25 -1.62 0
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14212 406650 1 Cl2O2S2N3H9C15 A2B2C2D3E9F15 15.2 6.89 -9.36 -1.7 0
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14213 406687 1 OSN5C14H15 ABC5D14E15 81.67 1.58 -8.88 -1.55 0
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14214 406689 1 SN5C7H9 AB5C7D9 66.79 4.2 -8.7 -0.55 0
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14215 406690 1 S2N5H11C12 A2B5C11D12 127.23 4.58 -8.81 -1.56 0
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14216 406712 1 O4H18C23 A4B18C23 -49.45 5.22 -9.6 -1.31 0
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14217 406727 1 O6C21H32 A6B21C32 -247.79 2.6 -9.82 -0.22 0
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14218 406752 1 ClSN2O4H17C24 ABC2D4E17F24 -81.44 2.83 -9.54 -1.53 0
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14219 406764 1 ClSN2H13C19 ABC2D13E19 123.15 7.38 -9.2 -1.6 0
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14220 406767 1 ClS2N3H10C19 AB2C3D10E19 166.6 5.26 -9.3 -1.93 0
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14221 406770 1 SO2C22H30 AB2C22D30 -65.75 4.12 -8.45 -0.41 0
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14222 406774 1 OCl2N2H18C19 AB2C2D18E19 11.53 4.65 -8.82 -0.62 0
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14223 406776 1 O3H18C20 A3B18C20 -42.52 5.36 -9.63 -0.94 0
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14224 406777 1 Cl2O3H10C16 A2B3C10D16 -64.29 4.85 -9.83 -1.5 0
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14225 406778 1 OCl2N2H8C12 AB2C2D8E12 21.24 0.73 -9.96 -1.64 0
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14226 406812 1 ClSO4N7C15H16 ABC4D7E15F16 8.92 1.9 -9.16 -1.27 0
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14227 406851 1 O4C23H28 A4B23C28 -122.4 2.27 -9.37 -0.54 0
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14228 406980 2 NC7H13 AB7C13 43.4 0.19 -8.38 -0.44 2
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14229 406991 1 TiC6O8H16 AB6C8D16 -397.55 14.64 -7.53 -2.52 0
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14230 407011 1 O2H3C4N5 A2B3C4D5 13.12 2.18 -11.09 -1.95 0
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14231 407013 1 CuN2O2C16H16 AB2C2D16E16 30.63 0.73 0.0 0.0 0
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14232 407014 1 ZnN2O2C16H16 AB2C2D16E16 8.73 5.33 -7.02 -0.83 0
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14233 407015 1 NC19H26 AB19C26 60.53 0.9 0.0 0.0 1
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14234 407017 1 ON2C18H28 AB2C18D28 -30.46 2.33 -8.57 0.23 0
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14235 407018 1 ClH3O4 AB3C4 -90.67 0.77 -11.53 -0.08 0
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14236 407019 1 SN2C13H18 AB2C13D18 36.39 7.21 -8.49 -0.39 0
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14237 407024 1 N2O2C5H12 A2B2C5D12 -32.11 2.89 -9.76 -0.37 0
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14238 407028 1 NC8H13 AB8C13 9.5 1.21 -8.11 0.59 0
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14239 407032 1 NO2H11C14 AB2C11D14 -26.44 6.0 -8.25 -0.77 0
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14241 407052 1 NC14H25 AB14C25 -15.68 1.26 -8.05 0.64 0
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14242 407055 1 NC10H17 AB10C17 0.41 1.35 -8.06 0.61 0
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14243 407060 1 CuS2N4C14H20 AB2C4D14E20 257.63 11.19 0.0 0.0 -4
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14246 407146 1 NOC18H23 ABC18D23 -3.18 2.42 -8.44 0.35 0
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14247 407177 1 N2H14C15 A2B14C15 81.44 2.1 -7.69 -0.74 0
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14248 407237 1 SN3C16H19 AB3C16D19 74.57 3.49 -7.89 -0.75 0
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14249 407239 1 FeCl4 AB4 -649.86 0.01 -7.71 -0.16 0
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14250 407240 1 NO2C20H40 AB2C20D40 -135.27 4.5 0.0 0.0 1
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14251 407241 1 N2H17C20 A2B17C20 85.84 3.28 0.0 0.0 1
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14252 407242 1 CuN2O2C16H18 AB2C2D16E18 36.38 3.72 0.0 0.0 0
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14253 407246 2 NSC8H16 ABC8D16 -44.93 2.73 -8.7 -0.81 0
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14254 407247 1 N2C26H47 A2B26C47 -30.99 3.62 0.0 0.0 1
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14255 407249 2 NCl2C12H12 AB2C12D12 58.26 3.04 -7.09 -0.84 2
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14256 407270 1 N3O5C26H33 A3B5C26D33 -151.25 1.84 -8.51 -0.9 0
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14257 407271 1 PN3O5C27H46 AB3C5D27E46 -294.22 3.56 -8.24 -0.33 0
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14259 407299 1 AsN2O2C9H11 AB2C2D9E11 54.94 4.95 -8.82 -1.3 0
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14260 407303 1 HgN2O2C18H24 AB2C2D18E24 44.64 5.33 -8.3 -0.26 0
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14261 407311 1 NOC13H14 ABC13D14 10.89 1.87 0.0 0.0 1
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14262 407383 1 CoO4C10H16 AB4C10D16 -142.34 3.55 0.0 0.0 0
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14264 407386 1 MnO4C10H16 AB4C10D16 -131.77 6.43 0.0 0.0 0
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14265 407402 1 N3H27C32 A3B27C32 149.08 4.54 -8.21 -0.99 0
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14266 407403 1 SN3O4H29C32 AB3C4D29E32 -56.68 8.11 -8.39 -0.73 0
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14267 407404 1 N2S2O7C37H37 A2B2C7D37E37 -167.91 6.9 0.0 0.0 1
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14268 407405 1 N4C9H17 A4B9C17 69.94 0.74 0.0 0.0 1
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14269 407529 1 NO2C21H29 AB2C21D29 -75.59 2.57 -8.81 0.32 0
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14270 407568 1 ClON2C26H33 ABC2D26E33 -24.94 4.89 -8.72 -0.91 0
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14271 407585 2 NO4H12C21 AB4C12D21 -131.69 3.11 -8.91 -2.19 0
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14272 407614 1 ON2C7H10 AB2C7D10 31.05 1.67 -8.12 0.16 0
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14273 407632 1 NOC21H23 ABC21D23 19.61 1.72 -8.64 -0.42 0
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14274 407633 1 BrNOC17H20 ABCD17E20 2.72 3.79 -8.83 0.07 0
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14275 407635 1 NOC21H27 ABC21D27 -15.63 2.13 -8.66 0.35 0
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14276 407637 1 N2O5C13H16 A2B5C13D16 -105.45 3.04 -9.07 -1.99 0
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14277 407656 1 ClN3O5C14H24 AB3C5D14E24 -131.36 4.57 -8.61 -0.66 0
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14278 407671 1 NO2C19H21 AB2C19D21 -35.08 3.57 -8.36 -0.51 0
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14279 407676 1 NO2C21H31 AB2C21D31 -77.93 2.25 -8.31 -0.26 0
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14280 407810 1 BrNOC16H24 ABCD16E24 -40.87 3.36 -8.95 -0.78 0
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14281 407983 1 SN2O4C42H90 AB2C4D42E90 -312.71 3.64 -8.51 -0.86 2
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14282 407992 1 ClNOC16H18 ABCD16E18 -11.0 2.48 -9.12 -0.08 0
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14283 408001 1 ClNOC20H28 ABCD20E28 -49.31 3.95 -8.85 -0.71 0
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14284 408046 1 ClN3C19H29 AB3C19D29 35.82 5.91 0.0 0.0 1
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14285 408047 1 ON5C9H11 AB5C9D11 46.74 5.35 -9.77 -1.32 0
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14286 408053 1 AsCl2N4H9C10 AB2C4D9E10 23.76 3.11 -8.92 -1.01 0
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14287 408056 1 AsNS2O6C12H16 ABC2D6E12F16 -237.49 9.76 -8.8 -1.55 0
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14288 408060 1 NOC10H15 ABC10D15 -26.31 2.84 -8.77 0.28 0