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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46198 10523004 1 SO2N3C20H21 AB2C3D20E21 0.28 8.16 -9.01 -0.98 0
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46199 10523023 1 ClNO2C22H22 ABC2D22E22 -37.12 0.84 -8.99 -0.39 0
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46200 10523070 1 ON2S2C20H20 AB2C2D20E20 65.59 5.51 -8.64 -0.55 0
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46201 10523073 2 O2C11H20 A2B11C20 -240.08 3.32 -10.12 -0.33 0
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46202 10523091 1 BrN2O5H13C14 AB2C5D13E14 -111.31 3.83 -9.94 -1.41 0
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46203 10523094 1 N5O7C14H19 A5B7C14D19 -230.86 13.17 -9.13 -0.43 0
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46204 10523129 1 O2S2N3H15C18 A2B2C3D15E18 -7.47 9.58 -8.68 -1.63 0
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46205 10523151 1 ISN2C14H15 ABC2D14E15 66.51 4.18 -8.02 -1.02 0
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46206 10523160 1 O7H18C20 A7B18C20 -231.66 2.54 -8.7 -0.56 0
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46207 10523166 1 O6C21H22 A6B21C22 -215.66 4.22 -10.01 -1.71 0
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46208 10523195 1 N2O5C19H34 A2B5C19D34 -284.78 3.29 -10.01 0.23 0
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46209 10523205 1 SO2C23H30 AB2C23D30 -68.31 4.34 -8.76 -0.19 0
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46210 10523212 1 SiO2C23H34 AB2C23D34 -99.51 3.4 -9.12 -0.16 0
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46211 10523222 1 ClO4H19C21 AB4C19D21 -104.02 6.0 -8.9 -1.27 1
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46212 10523226 1 OSN2F3C12H14 ABC2D3E12F14 -189.88 8.51 0.0 0.0 0
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46213 10523228 1 BrSO4C15H15 ABC4D15E15 -129.02 5.62 -9.44 -0.81 0
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46214 10523255 1 FNSO3H18C20 ABCD3E18F20 -109.75 3.87 -9.15 -0.93 0
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46215 10523263 1 O2S2N5H13C16 A2B2C5D13E16 73.81 7.69 -8.82 -2.06 0
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46216 10523284 1 ON3C23H37 AB3C23D37 -6.73 3.39 -9.6 0.09 0
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46217 10523304 1 O5H16C23 A5B16C23 -131.08 4.59 -8.72 -1.64 0
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46218 10523310 3 O2C7H8 A2B7C8 -240.4 7.53 -9.27 -1.57 0
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46219 10523319 1 SO2F3C19H23 AB2C3D19E23 -187.63 5.85 -10.18 -0.92 0
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46220 10523334 1 O4C23H32 A4B23C32 -179.92 2.73 -9.1 -0.48 0
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46221 10523347 1 ClION2H10C13 ABCD2E10F13 44.07 6.05 -8.41 -1.3 0
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46222 10523355 1 ClON2H17C23 ABC2D17E23 73.61 8.52 -8.74 -0.7 0
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46223 10523369 1 Cl2O3H14C20 A2B3C14D20 -65.12 3.75 -9.68 -1.95 0
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46224 10523370 1 BrO5C16H21 AB5C16D21 -207.77 3.7 -9.72 -0.26 0
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46225 10523374 1 NO7C19H19 AB7C19D19 -255.29 3.82 -9.26 -2.04 0
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46226 10523383 1 SN3O4C18H19 AB3C4D18E19 -60.56 3.86 -9.38 -1.54 0
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46227 10523392 1 N3O4C20H27 A3B4C20D27 -132.46 9.05 -8.25 -1.0 0
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46228 10523393 1 O2N7C18H27 A2B7C18D27 -11.1 4.23 -8.38 -0.07 0
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46229 10523417 1 I2O2H4C7 A2B2C4D7 -3.61 1.96 -9.09 -1.4 0
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46230 10523428 1 FN2O8C15H19 AB2C8D15E19 -399.97 3.88 -10.13 -0.96 0
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46231 10523435 1 N2O6C19H22 A2B6C19D22 -233.83 4.03 -9.56 -0.68 0
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46232 10523439 2 NO2H9C11 AB2C9D11 -67.05 6.37 -8.89 -1.46 0
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46233 10523444 1 O6C21H26 A6B21C26 -203.93 2.85 -8.32 -0.05 0
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46234 10523447 1 N2O3H22C23 A2B3C22D23 -72.8 3.85 -8.57 -0.43 0
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46235 10523449 2 ON2C11H11 AB2C11D11 8.54 2.98 -8.81 -0.86 0
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46236 10523451 1 BSiO2C22H39 ABC2D22E39 -155.65 4.09 -9.15 -0.02 0
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46237 10523453 1 SO5C20H22 AB5C20D22 -162.84 7.34 -9.94 -0.7 0
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46238 10523461 2 NOC12H13 ABC12D13 -29.07 5.79 -8.66 -0.64 0
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46239 10523462 1 N2S2O3C18H18 A2B2C3D18E18 -26.66 4.94 -9.41 -1.27 0
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46240 10523463 2 SN2O2C7H11 AB2C2D7E11 -181.36 9.19 -8.77 -1.08 0
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46241 10523466 1 SN2O5C17H30 AB2C5D17E30 -249.37 3.54 -8.61 0.08 0
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46242 10523469 1 SiO3C22H34 AB3C22D34 -194.73 4.47 -9.74 0.66 0
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46243 10523471 1 SiN2O4C18H38 AB2C4D18E38 -292.78 3.84 -8.96 0.71 0
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46244 10523475 1 ClOSN2C20H23 ABCD2E20F23 -15.09 5.33 -8.9 -0.55 0
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46245 10523476 1 OBr2N3C12H13 AB2C3D12E13 -0.24 3.42 -9.11 -1.19 1
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46246 10523478 1 SeC16H17 AB16C17 73.1 1.66 0.0 0.0 0
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46247 10523492 1 S2N3C9O9H17 A2B3C9D9E17 -319.03 7.46 -9.99 -0.35 0
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46248 10523496 1 FNO5C20H22 ABC5D20E22 -150.62 6.3 -8.8 -1.49 0
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46249 10523499 1 NO6C20H25 AB6C20D25 -187.85 4.13 -9.69 -0.94 0
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46250 10523502 1 NO4H21C23 AB4C21D23 -81.72 7.81 -8.86 -0.93 0
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46252 10523512 1 SO2N3H17C21 AB2C3D17E21 40.62 10.23 -8.7 -1.58 0
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46253 10523516 1 NS2O4H17C18 AB2C4D17E18 -72.87 5.69 -8.33 -1.14 0
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46254 10523517 1 O2N3C23H25 A2B3C23D25 3.04 7.59 -8.28 -0.47 0
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46255 10523521 1 NSO4C20H25 ABC4D20E25 -138.49 7.37 -9.32 -0.66 0
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46256 10523525 1 NS2O3C19H21 AB2C3D19E21 -62.56 5.37 -9.38 -0.59 0
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46257 10523526 1 NH25C28 AB25C28 114.58 1.91 -8.12 -0.05 0
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46258 10523534 1 NS4H17C18 AB4C17D18 70.18 3.12 -7.31 -0.39 0
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46259 10523535 1 NSiO2C22H37 ABC2D22E37 -133.88 2.8 -8.64 0.44 0
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46260 10523539 1 ClON3H18C22 ABC3D18E22 65.95 4.45 -8.9 -0.54 0
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46261 10523541 1 ClNO2C22H30 ABC2D22E30 -96.65 6.93 -8.74 0.12 0
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46262 10523552 1 N2O9C15H24 A2B9C15D24 -412.51 4.42 -10.21 -0.31 0
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46263 10523586 1 O5C22H32 A5B22C32 -239.3 5.03 -9.33 -0.58 0
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46264 10523587 1 O3C25H28 A3B25C28 -90.57 2.98 -8.84 -0.36 0
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46265 10523602 1 N2O3C22H36 A2B3C22D36 -156.3 4.55 -9.29 -0.37 0
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46266 10523603 1 SSiN2O3C18H24 ABC2D3E18F24 -60.4 4.14 -8.37 -0.61 0
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46267 10523604 2 S2N4C5H8 A2B4C5D8 148.83 10.57 -9.1 -0.92 0
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46268 10523610 1 SiN2O2C21H36 AB2C2D21E36 -136.92 2.68 -9.76 -0.64 0
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46269 10523614 1 ClN4H21C22 AB4C21D22 71.5 5.77 -8.22 -0.53 0
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46270 10523617 1 BrO6H9C16 AB6C9D16 -177.24 3.49 -9.86 -1.86 0
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46271 10523622 1 BrSO3H13C17 ABC3D13E17 -47.7 2.51 -9.66 -1.61 0
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46272 10523627 1 NSF3O7C12H18 ABC3D7E12F18 -470.23 1.41 -10.1 -1.54 0
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46273 10523645 1 NO3C24H27 AB3C24D27 -87.79 7.04 -7.99 -0.49 0
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46274 10523649 1 O2N3C23H27 A2B3C23D27 -4.44 2.75 -8.37 -0.21 0
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46275 10523657 1 N3S3H11C19 A3B3C11D19 142.44 3.64 -8.48 -1.55 0
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46276 10523670 2 BrO2H5C6 AB2C5D6 -98.87 5.19 -8.7 -1.21 1
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46277 10523676 1 OP2C11H23 AB2C11D23 -82.41 3.19 0.0 0.0 0
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46278 10523680 1 OPN2F6C14H21 ABC2D6E14F21 -461.17 12.1 -8.8 -0.87 0
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46279 10523683 1 N2O8C17H18 A2B8C17D18 -293.54 2.12 -8.55 -1.05 0
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46280 10523690 1 N2O5H18C21 A2B5C18D21 -87.73 5.97 -9.3 -0.96 0
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46281 10523700 1 N2O6C19H26 A2B6C19D26 -187.72 2.41 -9.95 -0.82 0
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46282 10523711 2 ON2C11H13 AB2C11D13 -26.43 2.66 -8.38 -1.08 0
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46283 10523725 1 SiO2C23H42 AB2C23D42 -199.38 4.27 -9.4 0.79 0
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46284 10523728 1 ClN4O5H15C16 AB4C5D15E16 -58.69 1.88 -9.48 -1.82 0
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46285 10523730 1 ClSN2O5H11C16 ABC2D5E11F16 -142.0 5.3 -9.34 -1.59 0
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46286 10523731 1 ClN2O2F3C17H22 AB2C2D3E17F22 -194.51 4.85 -9.33 -0.55 0
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46287 10523732 1 N2O2F3C17H21 A2B2C3D17E21 -158.56 5.14 -8.77 -0.2 0
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46288 10523739 1 BrN2O4H15C16 AB2C4D15E16 -128.6 3.6 -8.51 -1.24 0
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46289 10523740 1 NO3F6H11C16 AB3C6D11E16 -380.73 3.24 -9.55 -1.63 0
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46290 10523744 1 PN3O6C16H18 AB3C6D16E18 -265.63 4.23 -9.66 -0.43 0
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46291 10523747 1 O2F3N5H16C17 A2B3C5D16E17 -110.66 4.61 -9.07 -1.52 0
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46292 10523755 1 NS2O6H13C16 AB2C6D13E16 -188.25 3.38 -9.34 -1.68 0
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46293 10523767 1 N3O3C22H25 A3B3C22D25 -91.73 5.19 -8.46 -0.15 0
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46294 10523769 1 N5H21C24 A5B21C24 147.31 5.31 -9.18 -0.41 0
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46295 10523770 1 NO5C21H33 AB5C21D33 -134.56 4.16 -8.57 -1.27 0
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46296 10523780 1 O2N3C23H29 A2B3C23D29 -76.77 6.37 -8.27 -0.36 0
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46297 10523781 1 NO2S2H17C21 AB2C2D17E21 -4.05 5.59 -7.67 -0.81 0
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46298 10523782 1 NSO4C20H29 ABC4D20E29 -110.25 4.02 -8.45 0.01 0