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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20163 580545 1 ClO3H9C12 AB3C9D12 -70.85 2.8 -9.57 -0.69 0
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20164 580652 1 ClSO2N4H13C14 ABC2D4E13F14 -31.88 3.2 -9.07 -0.87 0
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20165 580694 1 BrClN2O2H14C19 ABC2D2E14F19 -0.91 8.47 -8.96 -0.99 0
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20166 580698 1 ClNOSF3H13C16 ABCDE3F13G16 -170.38 2.02 -9.32 -0.84 0
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20167 580981 1 NiC12H18 AB12C18 51.1 3.0 -7.12 0.42 -8
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20168 581027 1 NC11H23 AB11C23 -17.78 1.61 -8.59 1.32 0
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20169 581051 1 NC10H21 AB10C21 -32.72 1.26 -8.28 2.88 0
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20170 581639 2 N2H8C11 A2B8C11 159.85 3.74 -8.57 -1.1 0
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20171 581675 1 N2C21H22 A2B21C22 74.65 4.66 -7.97 -0.5 0
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20172 581691 1 BrN2H11C16 AB2C11D16 109.47 0.91 -8.82 -1.02 0
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20173 581765 2 OC6H6 AB6C6 -22.76 2.79 -9.62 0.03 0
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20174 581767 1 NO2C13H17 AB2C13D17 -61.57 2.2 -9.4 -0.14 0
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20175 581825 2 NH11C14 AB11C14 153.8 2.06 -9.09 -1.0 0
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20176 581989 1 OSN3C9H17 ABC3D9E17 -25.15 1.78 -9.14 -0.55 0
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20177 581990 1 NF2H3O4C7 AB2C3D4E7 -132.17 4.42 -10.52 -2.16 0
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20178 582120 2 O2C5H9 A2B5C9 -209.22 2.45 -10.8 0.65 0
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20180 582349 1 OSF2N4H10C11 ABC2D4E10F11 -59.84 6.79 -9.11 -0.9 0
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20181 582351 1 N2O2H12C13 A2B2C12D13 -13.19 2.56 -10.15 -0.63 0
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20182 582375 1 C13H16 A13B16 48.25 0.41 -9.39 0.41 0
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20183 582437 1 Si2O3C33H64 A2B3C33D64 -341.98 2.41 -9.64 1.29 0
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20184 582438 1 SnCl2Si4C14H38 AB2C4D14E38 -222.91 5.11 -9.41 -0.48 0
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20185 582466 1 PSN2O3C11H15 ABC2D3E11F15 -158.28 3.03 -8.51 -0.42 0
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20186 582499 1 NSiO2C13H17 ABC2D13E17 -99.97 3.14 -8.51 -0.02 0
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20187 582544 2 NOC5H5 ABC5D5 2.79 4.52 -10.19 -1.23 0
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20188 582633 1 ON3H11C12 AB3C11D12 27.69 5.06 -8.83 -0.36 0
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20189 582634 1 N3O5H17C19 A3B5C17D19 -56.07 4.0 -8.75 -1.23 0
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20190 582637 1 SN2O4C18H18 AB2C4D18E18 -110.63 11.89 -8.62 -0.88 0
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20191 582639 1 N2O2C13H16 A2B2C13D16 -52.36 2.39 -8.42 0.05 0
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20192 582640 2 NO2C5H5 AB2C5D5 -46.87 5.78 -10.28 -1.11 0
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20193 582643 2 NH8C9 AB8C9 99.43 0.07 -9.77 -0.25 0
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20194 582645 1 ON3H17C19 AB3C17D19 54.07 3.99 -8.22 -0.69 0
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20195 582646 1 ClFSN2H16C17 ABCD2E16F17 1.4 2.97 -9.09 -0.6 0
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20196 582649 1 O2N3F6C16H17 A2B3C6D16E17 -353.27 2.83 -9.56 -0.64 0
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20197 582657 1 ClON3H18C24 ABC3D18E24 59.4 3.2 -8.35 -0.89 0
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20198 582661 1 ON4H16C17 AB4C16D17 96.89 5.71 -8.93 -1.02 0
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20199 582666 6 C3H4 A3B4 -1.82 0.67 -8.92 0.31 0
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20200 582669 1 ClON2C12H13 ABC2D12E13 -22.86 4.35 -8.56 -0.1 0
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20201 582671 1 NO2C11H11 AB2C11D11 -34.63 2.43 -8.82 -0.02 0
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20202 582675 2 NC10H13 AB10C13 38.58 2.76 -8.33 0.11 0
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20203 582676 2 NOC8H8 ABC8D8 -22.5 4.76 -8.69 -0.23 0
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20204 582687 2 NO3C7H9 AB3C7D9 -179.24 7.36 -10.22 -1.55 0
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20205 582689 1 ON3C13H17 AB3C13D17 -17.24 1.99 -8.3 0.12 0
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20206 582690 1 N2O2C15H16 A2B2C15D16 -64.29 2.11 -8.36 0.08 0
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20207 582694 1 SiO2C9H18 AB2C9D18 -160.85 2.98 -9.52 0.65 0
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20208 582695 2 NO2H10C11 AB2C10D11 -101.44 1.29 -8.53 -0.1 0
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20209 582696 1 SN3O3C6H7 AB3C3D6E7 9.94 6.72 -10.28 -2.17 0
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20210 582698 1 SiN2O2C10H18 AB2C2D10E18 -121.4 8.3 -9.63 0.66 0
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20211 582702 1 ClNSO6C14H16 ABCD6E14F16 -205.22 3.92 -10.23 -0.97 0
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20212 582703 1 BrNSO6C14H16 ABCD6E14F16 -192.47 2.92 -10.34 -1.08 0
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20213 582704 1 INSO6C14H16 ABCD6E14F16 -177.64 2.5 -9.89 -1.26 0
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20214 582713 1 ON3H15C18 AB3C15D18 49.72 5.27 -8.8 -0.4 0
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20215 582716 1 O2N3H27C31 A2B3C27D31 25.19 7.21 -8.54 -0.37 0
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20216 582717 1 NSO7C15H19 ABC7D15E19 -239.04 5.61 -9.72 -0.54 0
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20217 582718 1 BrON3H14C17 ABC3D14E17 58.0 0.98 -8.52 -0.89 0
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20218 582719 1 N2C11H14 A2B11C14 31.56 3.0 -8.35 0.2 0
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20219 582722 1 O2N3C11H13 A2B3C11D13 -37.81 2.6 -8.8 -0.95 0
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20220 582723 1 O2N3C18H19 A2B3C18D19 -23.85 3.4 -8.2 -0.22 0
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20221 582724 1 NC18H23 AB18C23 27.59 1.88 -8.27 0.15 0
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20222 582725 1 NC13H15 AB13C15 39.35 1.97 -8.3 0.12 0
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20223 582726 1 FNSO6C14H16 ABCD6E14F16 -243.09 2.89 -10.53 -0.94 0
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20224 582727 1 NSO6C15H19 ABC6D15E19 -206.11 6.68 -10.16 -0.55 0
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20225 582728 1 N3O5C26H31 A3B5C26D31 -191.45 3.09 -8.41 0.0 0
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20226 582733 1 N2O3C15H18 A2B3C15D18 -111.87 3.28 -8.81 -0.32 0
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20227 582756 2 BrC5H5 AB5C5 35.47 2.26 -9.25 -0.7 0
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20228 582757 1 NC15H19 AB15C19 11.96 2.37 -8.1 0.29 0
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20229 582758 1 NOC14H15 ABC14D15 -12.62 2.59 -8.53 -0.34 0
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20230 582759 1 BNO2C12H14 ABC2D12E14 -89.2 3.41 -9.88 -1.38 0
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20231 582761 2 NOC6H7 ABC6D7 19.34 4.33 -8.54 -0.59 0
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20232 582770 18 CH AB 27.82 0.87 -9.07 0.42 0
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20233 582771 1 SO2N3C22H23 AB2C3D22E23 2.76 6.08 -8.43 -0.84 0
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20234 582779 1 N3O5C17H21 A3B5C17D21 -191.37 5.5 -8.63 -0.15 0
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20235 582782 1 N3O5C26H43 A3B5C26D43 -293.89 1.95 -9.62 0.4 0
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20236 582783 1 CNCl2F2P2S2H3 ABC2D2E2F2G3 -262.28 1.28 -10.1 -1.61 0
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20237 582784 1 ClON2C14H17 ABC2D14E17 -31.09 3.73 -8.45 0.0 0
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20238 582785 1 ClO3N5H6C9 AB3C5D6E9 39.37 8.45 -9.82 -1.6 0