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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64151 29196908 1 O2S2N3C18H23 A2B2C3D18E23 -15.54 8.21 -8.56 -0.71 1
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64152 29196915 1 ClO2S2N3C16H19 AB2C2D3E16F19 -2.66 1.89 0.0 0.0 1
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64153 29196989 1 SO2N3C22H24 AB2C3D22E24 14.98 15.85 0.0 0.0 1
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64154 29196996 1 SO2N3C20H26 AB2C3D20E26 -6.98 5.12 0.0 0.0 0
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64155 29196999 3 NOC8H9 ABC8D9 -43.65 4.51 -8.63 -0.19 0
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64156 29197004 1 FSO2N3C19H22 ABC2D3E19F22 -68.39 5.87 -8.52 -0.62 1
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64157 29197007 1 FOSN2H22C23 ABCD2E22F23 2.68 3.55 0.0 0.0 1
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64158 29197029 1 SO2N3C21H28 AB2C3D21E28 -7.32 4.16 0.0 0.0 0
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64159 29197067 1 SN3O3C15H21 AB3C3D15E21 -119.31 6.94 -8.92 -0.51 0
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64160 29197113 1 BrSN2O2H21C23 ABC2D2E21F23 6.4 2.02 -8.33 -1.23 1
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64161 29197114 1 SN3O3C20H26 AB3C3D20E26 -62.06 5.92 0.0 0.0 0
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64162 29197121 1 SO4N5C21H27 AB4C5D21E27 -94.17 9.41 -8.79 -1.08 1
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64163 29197122 1 ClSO2N3C19H23 ABC2D3E19F23 -11.34 4.52 0.0 0.0 0
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64164 29197130 1 ClSO2N3C19H22 ABC2D3E19F22 -27.59 2.86 -8.51 -0.66 1
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64165 29197152 1 SN3O3C26H28 AB3C3D26E28 20.53 10.93 0.0 0.0 0
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64166 29197179 1 SN3O4C15H15 AB3C4D15E15 -84.3 5.59 -9.01 -0.98 0
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64167 29197198 1 FSN3O3C20H24 ABC3D3E20F24 -102.15 3.74 -8.5 -0.56 0
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64168 29197323 1 SN3O3C21H27 AB3C3D21E27 -61.79 6.41 -8.53 -0.13 0
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64169 29197328 1 BrClO2N4C18H20 ABC2D4E18F20 -11.08 4.73 -9.3 -0.79 0
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64170 29197467 1 SF2N4O6H10C15 AB2C4D6E10F15 -103.46 5.51 -9.61 -2.4 0
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64171 29197690 2 NO3C13H15 AB3C13D15 -192.21 4.21 -8.56 -1.21 0
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64172 29197758 1 SO3N4C24H30 AB3C4D24E30 -73.95 8.59 -8.44 -0.47 0
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64173 29197782 1 SO3N4C24H30 AB3C4D24E30 -77.35 7.28 -8.3 -0.43 1
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64174 29197784 1 SO3N4C24H31 AB3C4D24E31 -74.66 5.7 0.0 0.0 0
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64175 29197787 1 FSO3N4C22H25 ABC3D4E22F25 -111.58 5.39 -8.18 -0.82 1
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64176 29197789 1 FSO3N4C22H26 ABC3D4E22F26 -102.86 6.25 0.0 0.0 0
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64177 29197796 1 SN3O3C22H27 AB3C3D22E27 -68.23 6.75 -8.46 -0.15 0
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64178 29197829 1 SO2N3C20H21 AB2C3D20E21 -2.25 2.54 -8.69 -0.6 1
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64179 29197836 1 SN3O3C24H32 AB3C3D24E32 -70.97 7.53 0.0 0.0 0
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64180 29197883 1 SO2N4C25H28 AB2C4D25E28 -8.04 2.33 -8.65 -0.56 0
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64181 29197888 1 SO2N4C25H28 AB2C4D25E28 -7.15 2.88 -8.71 -0.56 0
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64182 29197945 1 SN3O3C22H27 AB3C3D22E27 -50.76 3.29 -8.42 0.0 0
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64183 29197946 1 SN3O3C22H27 AB3C3D22E27 -60.15 7.81 -8.48 -0.13 0
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64184 29197974 1 SN3O3C23H29 AB3C3D23E29 -54.36 2.89 -8.43 0.01 0
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64185 29198004 1 O2S2N3C19H23 A2B2C3D19E23 -6.5 5.65 -8.54 -0.88 0
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64186 29198059 1 BrSO2N3C21H24 ABC2D3E21F24 -19.85 7.27 -7.9 -0.32 0
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64187 29198068 1 SO2N3C17H25 AB2C3D17E25 -55.36 4.75 -8.4 -0.1 0
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64188 29198071 1 SO2N3C17H25 AB2C3D17E25 -47.02 2.42 -8.48 -0.05 0
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64189 29198072 1 SO2N3C17H25 AB2C3D17E25 -56.72 4.66 -8.48 -0.02 0
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64190 29198075 1 ClFSO2N3C21H23 ABCD2E3F21G23 -70.73 3.83 -8.54 -0.94 0
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64191 29198076 1 ClSN2O6C20H21 ABC2D6E20F21 -211.52 2.73 -8.39 -0.52 0
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64192 29198102 1 ClSO2N3C21H24 ABC2D3E21F24 -26.65 4.94 -8.46 -0.89 1
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64193 29198143 1 SO2N3C23H30 AB2C3D23E30 -21.87 5.95 0.0 0.0 0
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64194 29198177 1 N2O3H20C21 A2B3C20D21 -49.46 4.86 -9.36 -0.51 0
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64195 29198192 1 ClSO3N5H20C24 ABC3D5E20F24 67.2 5.12 -9.01 -1.49 0
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64196 29198198 1 N3O4H21C23 A3B4C21D23 -36.79 3.77 -8.84 -0.58 0
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64197 29198232 1 ClFO2N3H13C17 ABC2D3E13F17 -23.22 4.09 -9.72 -0.79 1
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64198 29198233 1 O2S2N3C20H26 A2B2C3D20E26 -5.23 5.72 0.0 0.0 0
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64199 29198238 1 BrSO2N3C16H22 ABC2D3E16F22 -39.11 5.7 -8.67 -0.61 0
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64200 29198244 2 N2O2H9C11 A2B2C9D11 33.27 9.93 -9.23 -1.25 0
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64201 29198255 1 SO2N3C18H27 AB2C3D18E27 -51.14 2.71 -8.44 0.0 0
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64202 29198284 1 FSO2N3C22H26 ABC2D3E22F26 -73.13 4.67 -8.33 -0.67 0
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64203 29198292 1 OSN3C23H29 ABC3D23E29 -22.23 2.55 -8.68 -0.51 0
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64204 29198307 1 SN3O3C24H31 AB3C3D24E31 -78.07 7.02 -8.37 -0.26 1
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64205 29198314 1 SN3O3C24H32 AB3C3D24E32 -71.87 5.57 0.0 0.0 0
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64206 29198331 1 ClO2S2N6H13C17 AB2C2D6E13F17 85.16 4.72 -9.01 -1.2 0
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64207 29198429 1 SO2N3C23H29 AB2C3D23E29 -38.81 4.7 -8.36 0.0 0
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64208 29198459 1 N2S2O7C19H22 A2B2C7D19E22 -231.59 7.23 -9.12 -0.52 0
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64209 29198461 1 ClSO2N3C22H26 ABC2D3E22F26 -33.88 5.09 -8.5 -0.52 0
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64210 29198496 1 SN3O4C24H31 AB3C4D24E31 -91.94 4.02 -8.21 -0.09 0
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64211 29198500 1 SN3O4C24H31 AB3C4D24E31 -98.38 2.79 -8.15 0.08 0
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64212 29198511 1 SN3O3C24H31 AB3C3D24E31 -61.34 3.39 -8.48 -0.04 0
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64213 29198527 2 NO2C9H13 AB2C9D13 -151.48 2.82 -8.92 -0.44 0
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64214 29198531 1 SN3O3C15H21 AB3C3D15E21 -83.13 4.78 -8.61 -0.12 0
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64215 29198537 1 SN3O3C24H31 AB3C3D24E31 -71.85 8.31 -8.59 -0.42 0
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64216 29198538 1 ClO2N3C16H20 AB2C3D16E20 -50.29 3.4 -9.49 -0.39 0
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64217 29198539 1 FSN4O4C20H21 ABC4D4E20F21 -104.85 7.98 -8.28 -0.97 0
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64218 29198541 1 N3O4C14H19 A3B4C14D19 -76.77 10.86 -8.88 -0.83 0
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64219 29198543 1 SN3O4C20H31 AB3C4D20E31 -159.31 8.61 -8.85 -0.41 0
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64220 29198546 1 SN3O3C22H27 AB3C3D22E27 -61.52 4.04 -8.51 -0.44 0
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64221 29198548 1 N3O4C14H21 A3B4C14D21 -83.2 7.43 -9.14 -1.12 0
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64222 29198558 1 SF2N3O3C20H21 AB2C3D3E20F21 -142.22 4.87 -8.51 -1.26 0
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64223 29198566 1 SN3O5C18H29 AB3C5D18E29 -195.26 5.43 -9.22 -0.66 0
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64224 29198570 1 ClSN3O3C20H22 ABC3D3E20F22 -53.6 3.8 -8.35 -0.83 0
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64225 29198576 1 BrSN3O3C20H22 ABC3D3E20F22 -77.6 5.96 -8.63 -0.34 0
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64226 29198582 1 S2N3O7C18H21 A2B3C7D18E21 -236.9 0.88 -10.26 -0.81 0
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64227 29198597 1 ClSN2O5C19H19 ABC2D5E19F19 -152.09 7.2 -9.16 -0.98 0
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64228 29198603 1 SN4O6C24H26 AB4C6D24E26 -147.79 7.24 -8.72 -0.48 0
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64229 29198608 1 O2N3C22H25 A2B3C22D25 -16.09 5.2 -8.7 -0.15 0
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64230 29198611 1 SN3O3C23H29 AB3C3D23E29 -68.5 7.56 -8.44 -0.31 0
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64231 29198613 1 SN3O3C23H29 AB3C3D23E29 -83.32 6.29 -8.5 -0.23 0
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64232 29198614 1 SN2O3C14H20 AB2C3D14E20 -107.36 5.93 -8.75 -0.56 0
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64233 29198618 1 ClFSN3O3C20H21 ABCD3E3F20G21 -102.9 5.95 -8.67 -1.02 0
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64234 29198622 1 SN3O3C24H25 AB3C3D24E25 -28.08 5.22 -8.58 -0.93 0
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64235 29198623 1 FNSO2C12H12 ABCD2E12F12 -93.14 3.01 -9.11 -1.1 0
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64236 29198624 1 SN3O3C24H25 AB3C3D24E25 -32.74 2.57 -8.61 -1.0 0
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64237 29198625 1 SN3O3C20H23 AB3C3D20E23 -44.4 6.44 -8.71 -0.57 0
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64238 29198629 1 BrSN3O3C20H22 ABC3D3E20F22 -41.46 5.63 -8.82 -0.94 0
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64239 29198635 1 SN3O3C21H25 AB3C3D21E25 -58.77 7.32 -8.56 -0.42 0
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64240 29198639 1 NO3C17H19 AB3C17D19 -74.33 5.33 -8.58 -0.76 0
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64241 29198643 2 NOC7H8 ABC7D8 -30.77 2.42 -8.92 -0.6 0
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64242 29198646 1 SN4O5C20H22 AB4C5D20E22 -48.43 5.05 -8.91 -1.92 0
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64243 29198649 1 SF2O2N3C13H15 AB2C2D3E13F15 -134.88 1.02 -9.14 -1.08 0
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64244 29198656 1 S2N3O5H21C22 A2B3C5D21E22 -96.53 5.4 -8.91 -1.17 0
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64245 29198660 1 N2O5C18H28 A2B5C18D28 -207.04 2.82 -8.55 -0.45 0
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64246 29198670 2 NO2C6H10 AB2C6D10 -134.44 3.0 -9.92 -0.62 0
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64247 29198671 1 SO2N3C25H27 AB2C3D25E27 -44.67 3.92 -9.06 -0.83 0
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64248 29198682 1 ON3C21H23 AB3C21D23 16.18 3.68 -8.94 -0.65 0
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64249 29198694 1 FSN3O3C20H22 ABC3D3E20F22 -94.46 2.58 -8.41 -0.88 0
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64250 29198696 1 SN4O5C20H22 AB4C5D20E22 -47.63 7.63 -8.81 -1.66 0