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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299626 117688200 1 F4O4N5C28H31 A4B4C5D28E31 -319.97 8.43 -9.57 -1.0 0
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299627 117688203 1 FO3N5C26H30 AB3C5D26E30 -105.24 10.09 -9.11 -1.28 0
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299628 117688204 1 O4N5C27H33 A4B5C27D33 -118.45 9.47 -9.04 -0.98 0
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299629 117688207 1 F3O4N5C27H30 A3B4C5D27E30 -255.23 6.02 -9.54 -0.89 0
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299630 117688210 2 ON2C4H7 AB2C4D7 -42.61 5.36 -10.0 -0.14 0
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299631 117688215 1 ClF2N3O4H14C19 AB2C3D4E14F19 -174.19 8.44 -9.18 -1.15 1
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299632 117688229 1 SN4O4C23H27 AB4C4D23E27 -56.35 2.59 0.0 0.0 0
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299633 117688230 1 NO3C7H13 AB3C7D13 -156.6 4.99 -10.19 0.84 0
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299634 117688232 1 ON3F4H9C13 AB3C4D9E13 -155.77 8.48 -9.71 -1.29 0
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299635 117688236 1 N5O8C29H39 A5B8C29D39 -283.82 5.65 -8.43 -0.42 0
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299636 117688237 1 N5O6C28H35 A5B6C28D35 -160.95 6.88 -8.82 -1.07 0
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299637 117688242 1 N5F6O8H31C32 A5B6C8D31E32 -544.84 4.27 -8.85 -1.8 0
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299638 117688243 1 N5O8C31H41 A5B8C31D41 -278.63 4.48 -8.8 -0.35 0
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299639 117688244 1 SN5O9C29H33 AB5C9D29E33 -258.08 4.51 -8.64 -0.84 0
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299640 117688247 1 SO4C29H32 AB4C29D32 -107.91 5.93 -8.71 -0.1 0
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299641 117688248 1 FO4N5C29H36 AB4C5D29E36 -174.56 7.64 -9.29 -1.11 0
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299642 117688251 1 F2O4N5C29H35 A2B4C5D29E35 -226.53 7.19 -9.31 -1.16 0
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299643 117688253 1 FN5O5C26H30 AB5C5D26E30 -174.21 5.86 -8.94 -1.06 0
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299644 117688257 1 N5O6C25H29 A5B6C25D29 -178.52 11.52 -9.25 -1.37 0
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299645 117688263 1 F2O4N5C26H29 A2B4C5D26E29 -198.45 5.02 -9.35 -0.97 0
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299646 117688269 1 F2O4N5C28H33 A2B4C5D28E33 -213.22 9.21 -9.31 -1.04 0
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299647 117688272 1 FN5O5C26H30 AB5C5D26E30 -157.6 7.12 -9.33 -1.2 0
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299648 117688276 1 SN5O9C31H45 AB5C9D31E45 -347.77 7.47 -8.6 -0.42 0
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299649 117688279 1 O2N4C7H12 A2B4C7D12 -35.14 5.51 -10.11 -0.22 1
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299650 117688281 1 O2N4C7H13 A2B4C7D13 -33.8 5.6 0.0 0.0 0