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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28223 826394 1 FOSH15C17 ABCD15E17 -50.64 1.93 -8.99 -0.87 0
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28224 826395 1 SN3C17H25 AB3C17D25 19.9 7.34 -8.04 0.26 0
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28225 826399 1 ClFSO2H10C14 ABCD2E10F14 -101.62 2.28 -9.16 -0.84 0
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28226 826400 1 NOC16H25 ABC16D25 -56.12 2.5 -8.85 0.27 0
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28227 826402 1 NOC16H25 ABC16D25 -59.47 1.19 -9.03 0.4 0
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28228 826403 1 NOSC17H27 ABCD17E27 -51.33 2.8 -8.56 0.05 0
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28229 826407 1 NOSC17H27 ABCD17E27 -53.61 1.81 -8.56 0.02 0
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28230 826408 1 O3C17H24 A3B17C24 -144.65 2.5 -9.47 0.25 0
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28231 826418 1 ClSO2H11C14 ABC2D11E14 -49.69 5.42 -8.93 -0.92 0
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28232 826422 1 ClSO2H13C15 ABC2D13E15 -45.47 3.72 -8.85 -0.62 0
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28233 826426 1 O4N6H12C15 A4B6C12D15 -20.64 2.95 -10.06 -1.69 0
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28234 826430 1 ON7C8H15 AB7C8D15 15.32 6.19 -9.42 -0.39 0
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28235 826432 1 O2N5C9H15 A2B5C9D15 -0.63 2.41 -9.4 -0.04 0
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28236 826436 1 ClNSC16H16 ABCD16E16 39.0 1.78 -8.54 -0.46 0
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28237 826437 1 ClNSC16H16 ABCD16E16 43.4 3.68 -8.37 -0.23 0
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28238 826449 1 SN2C11H12 AB2C11D12 29.71 4.47 -8.4 -0.34 0
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28239 826457 1 ClOSH11C14 ABCD11E14 -7.54 0.79 -8.74 -0.49 0
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28240 826461 1 N2O2H14C17 A2B2C14D17 69.02 9.43 -8.86 -1.17 0
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28241 826476 1 S2N3C10H11 A2B3C10D11 49.59 3.93 -8.29 -0.66 0
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28242 826480 1 SN6C10H14 AB6C10D14 74.99 3.47 -8.46 -0.66 0
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28243 826481 1 OSN4C11H14 ABC4D11E14 21.91 2.19 -8.8 -1.05 0
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28244 826502 1 NOSC13H13 ABCD13E13 3.12 3.32 -8.62 -0.35 0
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28245 826522 1 OSN3H17C20 ABC3D17E20 65.44 7.38 -8.27 -0.9 0
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28246 826525 1 O2N4C11H16 A2B4C11D16 -50.1 2.23 -8.98 -0.24 1
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28247 826533 1 NO3C20H28 AB3C20D28 -68.81 2.6 0.0 0.0 0
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28248 826540 1 ClNOSC18H18 ABCDE18F18 2.0 2.92 -8.31 -0.62 0
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28249 826547 1 OS2C18H18 AB2C18D18 -2.61 1.2 -8.64 -0.95 0
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28250 826549 1 O2N4C13H18 A2B4C13D18 -53.44 2.77 -8.99 -0.67 0
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28251 826551 1 O2H12C17 A2B12C17 -16.01 2.59 -9.36 -0.55 0
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28252 826552 2 NOC6H8 ABC6D8 -55.49 2.32 -9.56 -0.83 0
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28253 826554 1 NOC19H19 ABC19D19 14.08 1.41 -8.31 -0.34 0
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28254 826556 1 NOC19H19 ABC19D19 14.02 1.46 -8.29 -0.34 0
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28255 826557 1 NSO2H19C21 ABC2D19E21 -11.63 4.81 -8.81 -0.82 0
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28256 826568 2 OSH5C7 ABC5D7 -13.5 5.44 -8.89 -1.14 0
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28257 826569 1 NO3C16H23 AB3C16D23 -153.42 6.41 -8.59 -0.33 0
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28258 826610 1 O4H20C21 A4B20C21 -139.91 6.76 -9.44 -0.1 0
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28259 826611 1 SN3C17H17 AB3C17D17 78.07 2.34 -8.45 -0.15 0
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28260 826612 1 NSO2C16H17 ABC2D16E17 -13.03 0.68 -8.47 -0.35 0
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28261 826613 1 O4H20C21 A4B20C21 -140.05 6.72 -9.44 -0.1 0
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28262 826615 1 NOSC15H17 ABCD15E17 3.23 2.35 -8.54 -0.2 0
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28263 826623 1 FNO2C14H16 ABC2D14E16 -102.05 2.84 -9.1 -0.23 0
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28264 826634 1 NSH17C18 ABC17D18 66.5 1.17 -8.58 -0.77 0
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28265 826645 1 NSC19H21 ABC19D21 42.4 2.92 -7.91 -0.01 0
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28266 826648 1 ClSN2C18H19 ABC2D18E19 50.64 2.88 -8.64 -0.48 0
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28267 826649 1 ON2C19H22 AB2C19D22 19.78 1.92 -8.06 0.02 0
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28268 826656 1 N2S2C17H22 A2B2C17D22 56.72 2.38 -8.2 -0.27 0
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28269 826659 1 SN2C21H26 AB2C21D26 44.45 4.34 -7.84 0.02 0
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28270 826663 1 NOC16H19 ABC16D19 7.59 3.33 -8.67 0.29 0
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28271 826666 2 NC8H12 AB8C12 15.49 1.75 -8.47 0.56 0
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28272 826672 1 ON4H6C11 AB4C6D11 114.82 1.99 -9.14 -2.03 0
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28273 826684 1 SN2C12H12 AB2C12D12 41.92 4.13 -8.63 -0.54 0
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28274 826706 1 ClSN2H11C15 ABC2D11E15 79.88 4.3 -8.98 -1.28 0
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28275 826720 1 ClSO2H13C16 ABC2D13E16 -52.1 2.18 -8.6 -0.38 0
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28276 826726 1 SN2O2C16H16 AB2C2D16E16 -31.52 2.75 -8.69 -0.88 0
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28277 826727 1 BrOSN2H13C15 ABCD2E13F15 8.38 3.01 -8.8 -0.86 0
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28278 826738 1 OSCl2H12C15 ABC2D12E15 -9.67 4.46 -8.36 -0.44 0
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28279 826764 1 SO4H10C14 AB4C10D14 -116.94 7.13 -9.1 -1.27 0
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28280 826766 1 SO4H10C14 AB4C10D14 -112.06 6.17 -9.43 -1.3 0
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28281 826773 1 FNSCl2H14C15 ABCD2E14F15 -12.66 2.22 -8.86 -0.91 0
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28282 826775 1 NSF4H15C16 ABC4D15E16 -159.72 1.51 -8.94 -0.91 0
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28283 826777 1 BrCl2H9C13 AB2C9D13 27.85 3.28 -9.59 -0.94 0
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28284 826783 1 O3H16C19 A3B16C19 -51.33 5.53 -8.8 -0.93 0
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28285 826796 1 ClN2O4H9C16 AB2C4D9E16 3.37 5.37 -9.74 -2.26 0
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28286 826802 1 ClSO2H11C15 ABC2D11E15 -39.52 5.64 -8.79 -1.17 0
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28287 826818 1 BrClFNSH6C13 ABCDEF6G13 32.13 2.47 -9.51 -1.63 0
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28288 826823 1 NOSC17H19 ABCD17E19 -23.94 3.07 -8.56 -0.5 0
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28289 826827 2 O2H8C11 A2B8C11 -94.71 4.03 -8.49 -1.3 0
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28290 826829 1 NO2H15C18 AB2C15D18 -14.18 4.81 -8.34 -0.85 0
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28291 826833 2 NO2C8H8 AB2C8D8 -16.99 5.81 -8.94 -1.4 0
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28292 826837 1 N2O4H12C15 A2B4C12D15 -3.71 4.37 -9.0 -1.66 0
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28293 826846 1 ClN2O2C18H21 AB2C2D18E21 -65.41 5.36 -8.79 -1.15 0
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28294 826862 1 SN2O5C14H22 AB2C5D14E22 -194.17 2.86 -9.36 -0.57 0
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28295 826865 2 NO2H4C5 AB2C4D5 -126.04 3.28 -10.39 -1.37 0
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28296 826870 1 ClNOC13H14 ABCD13E14 -22.65 5.26 -9.03 -0.28 0
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28297 826882 1 ON3C21H27 AB3C21D27 -10.41 3.94 -9.11 -0.6 0
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28298 826885 1 O3H14C19 A3B14C19 -46.32 5.84 -9.17 -1.4 0
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28299 826914 1 FN2O2H13C16 AB2C2D13E16 -55.03 4.09 -9.48 -1.21 0
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28300 826917 1 ON2C20H20 AB2C20D20 12.47 2.6 -8.62 -0.77 0
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28301 826920 1 OSN3C17H17 ABC3D17E17 23.88 2.93 -9.28 -0.99 0
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28302 826928 1 ON2C14H22 AB2C14D22 -56.36 3.16 -9.9 -0.42 0
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28303 826935 1 FON2H9C12 ABC2D9E12 -22.41 4.09 -9.57 -0.59 0
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28304 826938 2 NOC9H9 ABC9D9 -19.35 3.87 -9.25 -0.87 0
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28305 826942 1 ON3H15C17 AB3C15D17 44.16 4.31 -9.1 -0.82 0
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28306 826950 1 NSO5C16H17 ABC5D16E17 -149.11 7.46 -8.62 -1.24 0
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28307 826952 1 SO2N3H5C9 AB2C3D5E9 -2.09 4.54 -8.94 -1.18 0
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28308 826953 1 ClOSN3H4C9 ABCD3E4F9 45.13 5.9 -9.28 -1.81 0
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28309 826958 1 SCl2N2H12C16 AB2C2D12E16 73.37 5.2 -8.75 -1.2 0
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28310 826962 1 ClSN2O2H15C17 ABC2D2E15F17 3.32 3.21 -8.6 -1.24 0
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28311 826975 1 ClO2N5H14C16 AB2C5D14E16 2.58 2.34 -8.63 -0.95 0
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28312 826977 1 FNOH12C14 ABCD12E14 -41.92 3.49 -9.7 -0.49 0
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28313 826981 1 O2N3C8H11 A2B3C8D11 -54.73 6.71 -9.31 -0.77 0
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28314 826984 1 ClN2O2C14H17 AB2C2D14E17 -90.07 5.22 -8.8 -0.26 0
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28315 826985 1 ClON5C11H12 ABC5D11E12 5.61 4.6 -8.88 -0.84 0
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28316 826993 1 SN2O2C19H24 AB2C2D19E24 -13.42 2.48 -8.46 -0.42 0
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28317 827018 1 ClO2C12H13 AB2C12D13 -75.84 2.64 -9.7 -0.73 0
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28318 827027 1 ClSH9C14 ABC9D14 55.62 2.82 -8.72 -0.72 0
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28319 827030 1 NSO2H9C14 ABC2D9E14 60.87 5.33 -9.07 -1.56 0
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28320 827032 1 NSH9C15 ABC9D15 97.2 3.84 -8.89 -1.02 0
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28321 827033 1 FSH9C14 ABC9D14 17.06 1.89 -8.67 -0.71 0
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28322 827036 1 SN3C20H21 AB3C20D21 85.8 2.92 -8.68 -0.98 0