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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195370 78677964 1 N2O5C22H24 A2B5C22D24 -92.24 4.9 -9.44 -1.86 0
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195371 78677965 1 ClN2O2S2C19H19 AB2C2D2E19F19 -56.41 2.59 -8.84 -0.66 0
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195372 78678579 1 S2N3O3H17C20 A2B3C3D17E20 -24.75 7.67 -8.44 -1.22 0
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195373 78678731 1 N3O5C23H27 A3B5C23D27 -165.77 5.25 -8.78 -0.85 0
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195374 78678940 1 BrNO4C20H24 ABC4D20E24 -118.45 3.27 -8.16 -0.28 0
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195375 78678970 1 FCl2N2H7C8 AB2C2D7E8 -18.17 3.62 -9.24 -0.8 0
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195376 78679024 1 N3O4C24H29 A3B4C24D29 -144.51 6.71 -9.02 -0.25 0
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195377 78679211 1 FSO3N4H17C19 ABC3D4E17F19 -106.4 9.17 -9.13 -1.35 0
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195378 78679212 1 FO2S2N4C17H19 AB2C2D4E17F19 -54.08 3.09 -8.97 -0.98 0
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195379 78680008 1 O2N3H15C18 A2B3C15D18 60.65 7.41 -9.36 -1.2 0
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195380 78680009 1 N3O6C16H19 A3B6C16D19 -142.97 5.53 -9.83 -1.91 0
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195381 78680010 1 OSN3H15C19 ABC3D15E19 78.53 7.7 -9.17 -1.32 0
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195382 78680011 1 N3O7C17H17 A3B7C17D17 -158.32 0.71 -9.8 -1.83 0
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195383 78680012 1 ON5H23C26 AB5C23D26 110.77 6.74 -9.02 -0.96 0
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195384 78680013 1 ON5H21C25 AB5C21D25 120.41 8.66 -8.99 -0.97 0
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195385 78680014 1 ON3C18H19 AB3C18D19 25.08 7.87 -8.96 -1.02 0
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195386 78680054 1 ClSO2N3H14C17 ABC2D3E14F17 14.31 1.14 -9.02 -1.16 0
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195387 78680135 1 FSN3O4C18H20 ABC3D4E18F20 -145.48 5.15 -9.25 -1.08 0
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195388 78680656 1 OSN4C17H20 ABC4D17E20 25.02 6.53 -8.3 -0.89 0
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195389 78680717 1 O4N5H17C21 A4B5C17D21 44.87 6.71 -9.13 -1.61 0
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195390 78681066 1 ClON6C16H19 ABC6D16E19 36.48 4.18 -9.57 -0.9 1
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195391 78681285 1 SN3O3C18H22 AB3C3D18E22 -20.38 12.24 0.0 0.0 1
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195392 78681293 1 FOS2N3C20H23 ABC2D3E20F23 -2.52 4.86 0.0 0.0 0
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195393 78681720 1 SO3N4C13H14 AB3C4D13E14 33.11 5.85 -9.02 -1.89 0
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195394 78681948 1 N3O5C17H21 A3B5C17D21 -176.49 4.08 -9.41 -1.1 0