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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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60501 26697101 1 FO2N4C24H26 AB2C4D24E26 -11.37 6.79 0.0 0.0 0
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60502 26697102 1 FO2N4C24H25 AB2C4D24E25 -24.83 5.59 -8.91 -0.88 1
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60503 26697103 1 O3N4C25H29 A3B4C25D29 9.08 4.99 0.0 0.0 1
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60504 26697105 1 O2N4C25H29 A2B4C25D29 37.15 5.72 0.0 0.0 0
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60505 26697106 1 O2N4C25H28 A2B4C25D28 13.38 5.49 -8.71 -0.81 1
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60506 26697107 1 N4O4C19H29 A4B4C19D29 -57.79 6.57 0.0 0.0 0
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60507 26697108 1 N4O4C19H28 A4B4C19D28 -77.69 3.51 -9.03 -0.93 1
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60508 26697109 1 SN3O4C22H28 AB3C4D22E28 -89.36 1.62 0.0 0.0 1
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60509 26697111 1 ClSN4O4C23H30 ABC4D4E23F30 -90.31 5.52 0.0 0.0 0
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60510 26697112 1 ClSN4O4C23H29 ABC4D4E23F29 -112.91 6.22 -8.45 -1.35 0
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60511 26697114 1 N2O2C21H26 A2B2C21D26 -74.87 4.88 -8.49 -0.36 0
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60512 26697115 1 N2O3C18H20 A2B3C18D20 -41.13 5.19 -8.56 -0.58 0
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60513 26697116 1 SN2O5C27H28 AB2C5D27E28 -116.37 6.36 -8.43 -0.96 0
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60514 26697118 1 SN2O3C16H18 AB2C3D16E18 -80.18 1.27 -8.73 -0.98 0
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60515 26697119 1 N2O2F3C18H21 A2B2C3D18E21 -223.89 9.82 -9.0 -0.61 0
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60516 26697120 1 SN2O3C19H24 AB2C3D19E24 -107.45 5.73 -8.73 -0.44 0
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60517 26697121 1 BrN2S2O3C19H23 AB2C2D3E19F23 -82.28 6.53 -8.45 -1.27 0
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60518 26697123 1 ClSN3O4C20H22 ABC3D4E20F22 -66.74 5.63 -8.69 -1.82 0
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60519 26697124 1 ClSN3O4C20H22 ABC3D4E20F22 -65.86 4.56 -8.68 -1.93 0
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60520 26697125 1 BrSN2O2C20H23 ABC2D2E20F23 -54.0 6.87 -8.63 -0.99 0
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60521 26697126 1 BrSN2O2C20H23 ABC2D2E20F23 -58.78 4.54 -8.59 -0.99 0
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60522 26697127 1 SN2O3C21H26 AB2C3D21E26 -100.18 4.47 -8.42 -0.68 0
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60523 26697128 1 SN2O3C21H26 AB2C3D21E26 -96.75 2.19 -8.57 -0.49 0
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60524 26697129 1 ClSN3O4C20H22 ABC3D4E20F22 -64.61 6.44 -8.8 -1.97 0
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60525 26697130 1 ClSN3O4C20H22 ABC3D4E20F22 -66.27 2.44 -8.73 -2.17 0
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60526 26697131 1 SN2O2C21H26 AB2C2D21E26 -64.07 3.01 -8.64 -0.28 0
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60527 26697135 1 FN2S2O3C19H23 AB2C2D3E19F23 -139.39 5.8 -8.41 -1.12 0
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60528 26697138 1 NO2C20H23 AB2C20D23 -67.19 5.95 -8.38 -0.82 0
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60529 26697140 2 NO2C11H14 AB2C11D14 -91.28 7.17 -8.52 -0.44 0
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60530 26697142 1 SBr2N2O3C17H18 AB2C2D3E17F18 -83.22 1.38 -8.64 -1.27 0
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60531 26697143 1 SO2N4H22C26 AB2C4D22E26 20.66 6.78 -8.48 -1.14 0
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60532 26697145 1 N2O3C16H18 A2B3C16D18 -85.21 3.27 -8.78 -0.3 0
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60533 26697146 1 SN2F3O3C18H19 AB2C3D3E18F19 -243.87 6.26 -8.73 -1.21 0
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60534 26697148 1 F2N2O3C18H18 A2B2C3D18E18 -194.56 2.79 -8.78 -0.66 0
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60535 26697151 1 ClSN2F3O3C21H22 ABC2D3E3F21G22 -255.22 8.39 -8.9 -1.2 0
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60536 26697152 1 SN2O3C22H28 AB2C3D22E28 -114.26 5.83 -8.6 -0.38 0
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60537 26697153 1 SN2O3C21H26 AB2C3D21E26 -93.71 3.46 -8.84 -1.07 0
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60538 26697154 1 N2S2O7C20H24 A2B2C7D20E24 -252.85 2.75 -8.77 -1.83 0
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60539 26697156 1 O2N3H17C18 A2B3C17D18 -24.88 1.65 -8.78 -1.01 0
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60540 26697157 1 O2N3C22H31 A2B3C22D31 -116.04 4.42 -8.66 0.13 0
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60541 26697159 2 NO2C12H15 AB2C12D15 -137.08 4.94 -8.62 -0.51 0
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60542 26697161 1 SN2O3C18H22 AB2C3D18E22 -84.92 2.74 -8.69 -0.44 0
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60543 26697164 1 O2S2N3H21C23 A2B2C3D21E23 -6.66 4.02 -8.79 -1.15 0
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60544 26697166 1 SN3O3C19H21 AB3C3D19E21 -64.03 6.97 -8.48 -1.33 0
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60545 26697167 1 SN3O4C18H19 AB3C4D18E19 -52.28 4.1 -8.71 -1.86 0
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60546 26697169 1 SN2O3C19H24 AB2C3D19E24 -96.02 3.84 -8.75 -0.92 0
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60547 26697170 1 SN2O3C18H22 AB2C3D18E22 -95.63 7.67 -8.76 -0.94 0
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60548 26697171 1 SN2O3C19H22 AB2C3D19E22 -77.8 9.07 -8.62 -1.1 0
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60549 26697173 1 SN2O3C20H26 AB2C3D20E26 -112.47 6.55 -8.68 -0.5 0
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60550 26697174 1 ON3C17H21 AB3C17D21 3.85 3.94 -8.33 -0.35 0
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60551 26697178 1 SN2F3O4C18H19 AB2C3D4E18F19 -290.97 5.62 -8.79 -0.99 0
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60552 26697182 1 SO3N4C24H28 AB3C4D24E28 -64.62 0.73 -8.65 -0.51 0
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60553 26697183 1 SO3N4C24H28 AB3C4D24E28 -61.2 4.12 -8.52 -0.44 0
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60554 26697184 1 SN3O4C24H25 AB3C4D24E25 -108.88 4.89 -8.61 -0.8 0
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60555 26697185 1 ClNSO3C16H16 ABCD3E16F16 -94.03 2.33 -8.78 -1.22 0
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60556 26697186 1 SN2O3C24H26 AB2C3D24E26 -72.86 5.99 -8.72 -0.93 0
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60557 26697187 1 NO4C21H23 AB4C21D23 -128.07 5.53 -8.49 -0.58 0
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60558 26697189 1 BrSN2O4C19H21 ABC2D4E19F21 -118.78 6.68 -8.75 -1.41 0
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60559 26697190 1 Cl2N2S2O3C19H22 A2B2C2D3E19F22 -102.5 4.16 -8.45 -1.33 0
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60560 26697191 1 Cl2N2S2O3C19H22 A2B2C2D3E19F22 -99.26 3.43 -8.53 -1.38 0
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60561 26697192 1 NO3C20H23 AB3C20D23 -69.64 4.77 -8.58 -0.07 0
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60562 26697193 1 ClFN2S2O3C19H22 ABC2D2E3F19G22 -144.73 4.6 -8.56 -1.45 0
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60563 26697195 1 BrSN2O3C21H25 ABC2D3E21F25 -98.64 4.84 -8.73 -1.32 0
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60564 26697197 1 SN2O3C20H24 AB2C3D20E24 -96.37 4.86 -8.76 -0.82 0
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60565 26697199 1 ClSN2O3C18H21 ABC2D3E18F21 -104.91 2.66 -8.78 -1.25 0
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60566 26697200 1 SN2O3C20H26 AB2C3D20E26 -116.07 6.64 -8.77 -0.77 0
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60567 26697203 1 SN2O4C19H24 AB2C4D19E24 -133.77 4.23 -8.81 -0.84 0
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60568 26697204 1 BrSN2O3C17H19 ABC2D3E17F19 -86.36 2.83 -8.62 -1.08 0
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60569 26697206 1 ClSN2O3C17H19 ABC2D3E17F19 -97.55 6.77 -8.36 -1.21 0
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60570 26697207 1 SN2O3C20H26 AB2C3D20E26 -119.07 7.33 -8.81 -0.15 0
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60571 26697208 1 S2N3O4C22H25 A2B3C4D22E25 -145.88 3.88 -8.57 -1.75 0
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60572 26697209 1 N2O2C23H26 A2B2C23D26 -44.6 2.81 -8.7 -0.57 0
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60573 26697210 1 SN2O5C21H26 AB2C5D21E26 -167.81 6.46 -8.66 -0.43 0
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60574 26697212 1 ClSN2O3C17H19 ABC2D3E17F19 -86.31 3.9 -8.82 -1.17 0
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60575 26697213 1 SN2O3C19H24 AB2C3D19E24 -104.54 4.26 -8.75 -0.92 0