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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21146 587339 1 ClO3H9C14 AB3C9D14 -62.12 6.24 -9.72 -1.21 0
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21147 587340 1 ClOSN2H9C14 ABCD2E9F14 32.14 4.05 -9.11 -0.94 0
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21148 587341 1 ClO2N3H14C20 AB2C3D14E20 50.8 2.12 -9.22 -1.11 0
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21149 587342 1 ClN2F3O3C20H20 AB2C3D3E20F20 -255.09 5.87 -8.82 -0.75 0
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21150 587345 1 ClNSO4H16C18 ABCD4E16F18 -131.75 7.56 -8.95 -1.38 0
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21151 587350 1 Cl2N2O2C19H20 A2B2C2D19E20 -70.45 1.1 -9.86 -0.71 0
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21152 587352 1 ClNOH8C10 ABCD8E10 1.85 2.8 -10.15 -1.23 0
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21153 587355 1 ClIO2H8C13 ABC2D8E13 -20.48 2.25 -9.3 -1.29 0
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21154 587357 1 ClNOH12C14 ABCD12E14 3.31 3.82 -9.03 -0.51 0
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21155 587358 1 ClNBr2O2H8C16 ABC2D2E8F16 3.37 2.48 -9.43 -1.4 0
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21156 587359 1 NCl2O3H11C15 AB2C3D11E15 -36.14 5.16 -9.93 -1.76 0
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21157 587361 1 ClO3H13C17 AB3C13D17 -65.9 4.73 -9.59 -1.4 0
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21158 587364 1 ClINOH13C15 ABCDE13F15 -0.13 3.76 -9.11 -0.88 0
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21159 587366 1 BrClN2O2H14C16 ABC2D2E14F16 -11.62 3.68 -8.71 -0.81 0
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21160 587371 1 ClNO2H8C11 ABC2D8E11 -28.25 3.05 -9.56 -1.43 0
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21161 587372 1 ClNBr2O3H12C15 ABC2D3E12F15 -49.1 3.16 -10.27 -1.59 0
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21162 587374 1 ClNOC11H14 ABCD11E14 -46.64 3.52 -9.78 -0.58 0
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21163 587377 1 ClON2S2F3H10C19 ABC2D2E3F10G19 -93.56 5.59 -8.96 -1.44 0
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21164 587398 1 ClNO2S2H10C17 ABC2D2E10F17 15.86 4.73 -8.95 -1.54 0
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21165 587399 1 ClO3H11C15 AB3C11D15 -74.72 1.81 -9.75 -0.92 0
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21166 587401 1 NCl2O4H9C15 AB2C4D9E15 -120.14 3.32 -9.37 -1.34 0
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21167 587402 1 ClO2H13C16 AB2C13D16 -31.42 1.63 -9.46 -0.97 0
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21168 587411 1 ClNO3H14C17 ABC3D14E17 -38.72 2.16 -8.85 -0.97 0
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21169 587412 1 Cl2C11H18 A2B11C18 -30.02 2.99 -9.78 0.23 0
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21170 587418 1 ClNO3C11H12 ABC3D11E12 -118.9 4.26 -9.93 -0.82 0
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21171 587420 2 ClC4H4 AB4C4 -6.13 3.11 -9.59 -0.48 0
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21172 587432 1 ClOF3H8C14 ABC3D8E14 -153.23 2.16 -10.1 -1.39 0
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21173 587438 1 FNCl2O2H12C20 ABC2D2E12F20 -60.0 2.23 -9.71 -1.13 0
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21174 587447 1 ClN2O2H5C8 AB2C2D5E8 58.96 2.63 -9.74 -1.29 0
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21175 587458 1 ClOC12H15 ABC12D15 -46.91 2.68 -9.89 -0.87 0
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21176 587462 1 OSN2C6H8 ABC2D6E8 26.16 2.12 -8.59 -0.5 0
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21177 587466 1 ClO2C20H31 AB2C20D31 -132.08 1.93 -9.97 -0.93 0
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21178 587469 1 ClO2C15H21 AB2C15D21 -108.35 3.5 -9.74 -0.74 0
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21179 587471 1 O2Cl3N3H14C17 A2B3C3D14E17 -38.94 2.92 -9.14 -0.7 0
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21180 587474 1 ClSF3N3O3H17C20 ABC3D3E3F17G20 -210.03 7.3 -8.87 -1.02 0
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21181 587479 1 N4O5H12C13 A4B5C12D13 -77.34 3.07 -9.57 -1.42 0
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21182 587480 1 O9C18H22 A9B18C22 -332.26 4.46 -11.01 -1.52 0
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21183 587484 3 OC3H4 AB3C4 -129.35 2.07 -9.84 -0.44 0
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21184 587485 1 SC10H16 AB10C16 -11.41 0.16 -8.92 0.18 0
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21185 587486 2 NO2H4C6 AB2C4D6 37.9 9.36 -9.78 -2.03 0
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21186 587546 1 NO5H7C14 AB5C7D14 -19.76 7.16 -10.29 -2.22 0
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21187 587552 1 ClON2H19C24 ABC2D19E24 84.4 2.63 -9.0 -0.78 0
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21188 587555 1 NS2H19C23 AB2C19D23 89.35 0.59 -8.06 -1.02 0
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21189 587576 2 N2O2C9H14 A2B2C9D14 -164.65 3.74 -9.18 -0.25 0
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21190 587581 2 OC15H24 AB15C24 -157.43 5.88 -9.72 0.43 0
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21191 587584 1 ClNO2H14C15 ABC2D14E15 -61.81 4.26 -8.37 -0.78 0
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21192 587593 1 SF2O5C11H12 AB2C5D11E12 -276.39 5.25 -8.94 -1.08 0
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21193 587595 1 O4C27H42 A4B27C42 -188.32 6.57 -8.4 0.13 0
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21194 587596 1 ClN2O2H11C16 AB2C2D11E16 -15.5 3.7 -9.28 -1.14 0
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21195 587602 1 NOS3H11C14 ABC3D11E14 38.8 3.9 -8.81 -1.39 0
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21196 587603 1 N2O4H14C17 A2B4C14D17 -93.85 4.8 -9.06 -0.95 0
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21197 587611 1 NCl2S2O3H9C13 AB2C2D3E9F13 -76.99 4.45 -9.01 -2.17 0
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21198 587612 1 O5C27H40 A5B27C40 -149.94 6.85 -9.23 -0.36 0
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21199 587615 1 ClNO4H12C19 ABC4D12E19 8.79 5.9 -9.34 -1.72 0
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21200 587616 1 NCl2O3H11C21 AB2C3D11E21 -40.25 3.7 -9.36 -1.74 0
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21201 587617 1 ClNO4C19H20 ABC4D19E20 -145.67 5.08 -8.75 -0.8 0
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21202 587622 1 ClNO4C23H24 ABC4D23E24 -145.56 3.75 -8.54 -0.85 0
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21203 587623 3 OC11H18 AB11C18 -210.09 3.24 -9.39 0.85 0
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21204 587632 1 NPSO2C10H22 ABCD2E10F22 -164.12 2.6 -9.18 0.47 0
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21205 587645 1 ON4C5H8 AB4C5D8 24.09 1.74 -8.82 -0.56 0
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21206 587661 1 ON4C5H8 AB4C5D8 -2.71 1.9 -9.15 -0.21 0
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21207 587665 1 O5C11H12 A5B11C12 -200.03 5.45 -9.53 -0.32 0
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21208 587666 2 FOC7H9 ABC7D9 -191.99 1.6 -9.88 -0.54 0
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21209 587668 1 ON4C5H8 AB4C5D8 -6.12 9.43 -9.44 -0.1 0
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21210 587669 1 NSC8H13 ABC8D13 1.1 0.48 -9.01 -0.16 0
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21211 587670 1 ON2C12H22 AB2C12D22 -57.21 2.21 -8.44 2.2 0
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21212 587681 1 NSO3C18H29 ABC3D18E29 -129.67 6.76 -9.51 -0.41 0
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21213 587690 1 O2C15H26 A2B15C26 -132.77 1.64 -9.32 2.44 0
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21214 587694 1 O2F3H3C4 A2B3C3D4 -227.31 4.19 -11.63 -1.19 0
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21215 587699 2 NOC8H14 ABC8D14 -93.66 1.28 -9.4 0.38 0
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21216 587702 2 OC4H6 AB4C6 -67.7 5.28 -10.86 -0.4 0
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21217 587704 1 SN2C6H8 AB2C6D8 23.19 2.64 -9.28 -0.49 0
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21218 587705 2 NOC9H13 ABC9D13 -102.26 3.52 -8.65 0.4 0
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21219 587707 1 BNO3C9H18 ABC3D9E18 -206.85 2.15 -9.67 0.37 0
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21220 587708 1 O2C9H18 A2B9C18 -134.66 0.65 -10.13 2.63 0
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21221 587710 1 ClN3O3C18H20 AB3C3D18E20 -68.43 3.68 -9.68 -0.91 0
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21222 587711 2 FH3C4 AB3C4 -60.47 1.42 -9.5 -0.22 0
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21223 587712 1 O5C17H24 A5B17C24 -196.15 5.18 -9.63 0.68 0
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21224 587713 1 NSO4C16H25 ABC4D16E25 -159.28 5.84 -9.04 -0.64 0
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21225 587714 1 SN2O2H16C18 AB2C2D16E18 11.27 5.66 -8.72 -0.63 0
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21226 587715 1 NSO4C14H17 ABC4D14E17 -132.31 6.02 -9.42 -0.54 0
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21227 587716 2 NOH7C9 ABC7D9 24.78 2.23 -8.86 -0.83 0
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21228 587725 1 NO2C27H41 AB2C27D41 -131.6 3.47 -9.27 0.42 0
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21229 587726 1 NO5C33H53 AB5C33D53 -308.67 4.1 -9.18 0.82 0
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21230 587746 1 O5C14H18 A5B14C18 -215.23 9.41 -9.69 -0.12 0
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21231 587748 4 OC2H3 AB2C3 -172.77 2.62 -10.31 -0.26 0
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21232 587749 2 OC7H11 AB7C11 -118.75 3.03 -9.88 0.72 0
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21233 587750 1 O4C9H14 A4B9C14 -185.71 1.7 -10.46 -0.26 0
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21234 587751 1 ClOSN3H10C14 ABCD3E10F14 35.3 3.21 -8.97 -1.32 0
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21235 587752 1 ClON5H6C8 ABC5D6E8 48.79 2.6 -10.32 -1.12 0
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21236 587758 1 O3N4H10C12 A3B4C10D12 -17.73 4.48 -8.96 -1.33 0
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21237 587759 1 IN3O3C7H10 AB3C3D7E10 -65.62 5.62 -9.37 -1.49 0
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21238 587760 1 N3O3F4H13C16 A3B3C4D13E16 -209.76 4.93 -9.7 -1.38 0
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21239 587761 1 N2O5C25H34 A2B5C25D34 -173.25 2.77 -7.73 0.22 0
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21240 587762 1 NiC11H16 AB11C16 21.2 2.44 -7.26 1.13 -8
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21241 587763 1 C6H11 A6B11 6.0 0.44 0.0 0.0 -3
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21242 587765 1 SN2C6H8 AB2C6D8 50.56 3.67 -8.72 -0.13 0
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21243 587766 1 O3C7H8 A3B7C8 -102.74 2.36 -8.41 -0.11 0
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21244 587767 1 O3C10H14 A3B10C14 -105.34 3.52 -9.47 0.34 0
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21245 587768 1 OPC11H15 ABC11D15 -52.54 4.73 -9.76 -0.02 0