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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195345 78675930 1 ClN3O4H16C18 AB3C4D16E18 -32.38 4.72 -9.28 -1.54 1
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195346 78676145 1 N3O5C19H24 A3B5C19D24 -68.55 15.56 0.0 0.0 1
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195347 78676146 1 N2O5C22H31 A2B5C22D31 -157.5 12.44 0.0 0.0 1
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195348 78676147 1 N2O3C23H27 A2B3C23D27 -39.25 5.56 0.0 0.0 0
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195349 78676826 1 FCl2O2N3C18H18 AB2C2D3E18F18 -110.32 5.34 -9.41 -0.65 1
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195350 78676973 1 ClN2O2F3C18H19 AB2C2D3E18F19 -160.45 4.75 0.0 0.0 1
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195351 78676992 1 BrO2N3C19H23 AB2C3D19E23 -26.73 2.82 0.0 0.0 0
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195352 78677087 1 FO3N4C19H21 AB3C4D19E21 -128.87 3.32 -9.19 -0.41 1
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195353 78677088 1 FO3N4C18H20 AB3C4D18E20 -109.16 3.26 0.0 0.0 1
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195354 78677272 1 N4O5C21H27 A4B5C21D27 -81.81 9.18 0.0 0.0 0
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195355 78677484 1 OSN3C19H23 ABC3D19E23 28.78 4.43 -8.19 -0.92 0
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195356 78677485 1 ClOS2N4C16H21 ABC2D4E16F21 2.22 6.51 -8.88 -1.1 0
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195357 78677486 1 O3N4C24H28 A3B4C24D28 -92.28 5.86 -8.89 -0.85 1
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195358 78677487 1 FON3C21H25 ABC3D21E25 -6.02 12.06 0.0 0.0 0
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195359 78677488 1 FON3C21H24 ABC3D21E24 -27.48 3.54 -8.72 -0.74 1
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195360 78677489 1 O3N4C21H25 A3B4C21D25 47.25 2.82 0.0 0.0 0
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195361 78677490 1 O3N4C21H24 A3B4C21D24 21.73 2.89 -8.18 -1.64 0
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195362 78677491 1 O2S2N4C17H22 A2B2C4D17E22 -28.78 8.91 -8.62 -0.91 0
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195363 78677492 1 OS3N5C18H23 AB3C5D18E23 41.19 2.08 -8.36 -0.8 0
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195364 78677493 1 O2S2N5C16H21 A2B2C5D16E21 0.16 3.86 -8.69 -0.94 0
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195365 78677676 1 NSO3C15H17 ABC3D15E17 -91.42 2.28 -9.04 -0.14 0
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195366 78677677 1 NSO4C16H19 ABC4D16E19 -131.75 5.82 -8.88 -0.77 0
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195367 78677678 1 NSO4C14H17 ABC4D14E17 -144.48 5.85 -8.96 -0.26 0
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195368 78677679 1 ClSN2O5C13H13 ABC2D5E13F13 -114.24 5.03 -9.34 -1.66 0
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195369 78677877 1 BrNSO3C15H16 ABCD3E15F16 -89.43 1.94 -9.09 -0.45 0
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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