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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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190169 77960675 1 O5C25H36 A5B25C36 -172.84 5.54 -9.15 -0.77 0
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190170 77961188 1 N2O3C19H24 A2B3C19D24 -94.73 2.06 -8.41 -0.22 0
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190171 77961549 1 OF3N4C24H27 AB3C4D24E27 -129.37 6.48 -8.0 -0.76 0
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190172 77961753 1 ON7H19C20 AB7C19D20 85.53 3.34 -8.68 -0.3 0
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190173 77962265 1 OSN8C20H22 ABC8D20E22 106.09 5.2 -8.42 -1.6 0
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190174 77963073 1 O2F3N6H37C39 A2B3C6D37E39 -110.8 4.59 -8.67 -0.53 0
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190175 77963074 1 SN2O3C26H34 AB2C3D26E34 -105.38 1.61 -8.55 -1.12 0
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190176 77963163 1 O4N7C55H57 A4B7C55D57 -17.22 3.71 -8.52 -0.6 0
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190177 77963164 1 O2N4C11H16 A2B4C11D16 -37.32 3.45 -8.74 -0.42 0
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190178 77963165 1 O2F3N4H17C19 A2B3C4D17E19 -138.89 8.9 -9.18 -1.22 0
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190179 77963196 1 ON2F3H29C31 AB2C3D29E31 -100.06 4.63 -8.1 -0.84 0
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190180 77963197 1 O4N8C43H60 A4B8C43D60 -126.9 4.65 -8.47 0.08 0
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190181 77963198 1 O5N8C43H58 A5B8C43D58 -148.98 8.24 -8.55 -0.8 0
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190182 77963334 1 O2N5C20H23 A2B5C20D23 13.03 5.15 -9.19 -1.27 0
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190183 77963500 1 F2O4N7C39H45 A2B4C7D39E45 -130.36 5.48 -7.94 -0.56 1
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190184 77963501 1 OF2N6H19C22 AB2C6D19E22 28.19 8.4 0.0 0.0 0
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190185 77963532 1 O4C19H32 A4B19C32 -241.95 3.47 -10.06 2.21 0
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190186 77964155 1 O2N5C22H31 A2B5C22D31 -19.63 3.66 -8.51 -0.33 0
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190187 77964455 1 NO4C18H35 AB4C18D35 -238.34 1.77 -9.35 0.87 0
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190188 77964542 1 O2N4F5C22H23 A2B4C5D22E23 -293.72 9.11 -9.15 -0.78 0
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190189 77964628 1 SN2O3C25H30 AB2C3D25E30 -24.53 8.42 -8.75 -0.79 0
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190190 77965323 1 O3N5C28H33 A3B5C28D33 -47.7 3.65 -9.57 -0.16 0
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190191 77965813 1 IC19H25 AB19C25 42.9 2.11 -8.76 -0.67 0
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190192 77965875 1 ClOF3N6H10C16 ABC3D6E10F16 -29.89 8.8 -9.12 -1.06 0
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190193 77966190 1 NO5C20H21 AB5C20D21 -174.31 1.99 -9.7 -0.21 0
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190194 77966516 1 N2O5C41H50 A2B5C41D50 -172.24 10.4 -8.83 -1.16 0
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190195 77966517 1 ClS2O4N5H24C25 AB2C4D5E24F25 -51.05 8.56 -8.84 -2.22 0
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190196 77966772 2 N2O4C25H29 A2B4C25D29 -218.82 10.49 -9.36 -1.52 0
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190197 77966773 1 SN4O4C27H30 AB4C4D27E30 -97.86 4.06 -8.42 -1.07 0
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190198 77967048 2 BrNOC6H8 ABCD6E8 -75.32 3.63 -9.52 -0.48 0
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190199 77967049 1 N2O2C19H32 A2B2C19D32 -123.61 3.01 -9.06 0.49 0
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190200 77967120 1 IH23C25 AB23C25 70.57 1.84 -8.73 -0.79 0
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190201 77967121 1 IH25C26 AB25C26 66.43 1.84 -8.74 -0.77 0
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190202 77967688 1 F2O7C12H16 A2B7C12D16 -422.39 3.17 -10.46 0.16 0
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190203 77967923 1 N2O2C17H28 A2B2C17D28 -96.25 4.22 -8.7 0.92 0
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190204 77967967 1 SN6O8C35H48 AB6C8D35E48 -306.64 9.91 -9.96 -0.68 0
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190205 77967968 1 SN6O9C35H50 AB6C9D35E50 -382.66 7.66 -9.88 -0.84 0
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190206 77968181 1 FO3N4C27H35 AB3C4D27E35 -123.08 5.89 -8.35 -0.44 0
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190207 77968394 1 ClO2N5H20C21 AB2C5D20E21 49.26 6.33 -8.95 -1.68 0
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190208 77968531 1 FN2O10C37H61 AB2C10D37E61 -504.1 3.01 -8.72 -0.36 0
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190209 77968758 1 SN4C18H20 AB4C18D20 70.99 3.88 -8.21 -0.77 0
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190210 77969250 1 IN3O4C26H36 AB3C4D26E36 -151.56 7.34 -8.58 -0.9 0
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190211 77969251 1 FN3C14H18 AB3C14D18 -21.62 5.41 -8.62 -0.24 0
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190212 77969522 1 SO5N6C27H32 AB5C6D27E32 -113.11 5.35 -8.08 -0.74 0
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190213 77969939 1 N5O14C24H47 A5B14C24D47 -637.04 3.44 -9.25 0.53 0
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190214 77970153 1 OC31H52 AB31C52 -124.63 2.67 -9.41 0.8 0
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190215 77971028 1 NO4C21H29 AB4C21D29 -159.44 3.01 -8.11 0.32 0
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190216 77971029 1 NO4C23H33 AB4C23D33 -168.7 3.92 -8.11 0.32 0
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190217 77971030 1 NO4C21H27 AB4C21D27 -133.73 5.23 -8.18 0.3 0
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190218 77971031 1 N4O6C15H18 A4B6C15D18 -208.35 3.79 -9.67 -1.48 0