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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89373 49961183 1 N3O4C25H25 A3B4C25D25 -89.31 3.99 -8.93 -0.68 0
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89374 49961212 1 BrClN2O4C18H18 ABC2D4E18F18 -106.24 3.06 -9.11 -0.69 0
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89375 49961250 1 N2O4C21H26 A2B4C21D26 -113.26 2.52 -8.87 -0.17 0
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89376 49961261 2 ClNO2C9H9 ABC2D9E9 -117.73 2.88 -9.2 -0.74 0
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89377 49961266 1 IS2O3N4C25H27 AB2C3D4E25F27 -32.73 10.94 -8.05 -1.43 0
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89378 49961274 1 N2O3H22C23 A2B3C22D23 -61.69 2.61 -8.91 -0.86 0
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89379 49961276 1 SN4O6C22H24 AB4C6D22E24 -166.88 10.54 -9.3 -1.06 0
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89380 49961311 1 S2O3N4C30H30 A2B3C4D30E30 -16.71 6.42 -7.95 -1.3 0
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89381 49961316 1 O2S2N3H21C22 A2B2C3D21E22 6.57 6.9 -8.82 -1.34 0
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89382 49961317 1 SN3O3H21C22 AB3C3D21E22 -20.58 5.26 -8.73 -0.94 0
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89383 49961328 1 N2O3H22C23 A2B3C22D23 -44.01 5.34 -8.87 -0.52 0
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89384 49961330 1 SN2O4C21H26 AB2C4D21E26 -135.03 9.29 -9.11 -0.72 0
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89385 49961331 1 N2O3H24C27 A2B3C24D27 -28.01 6.61 -8.55 -0.53 0
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89386 49961332 1 N2O3C17H18 A2B3C17D18 -77.96 4.04 -9.43 -0.46 0
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89387 49961365 1 SN3O3C12H21 AB3C3D12E21 -144.25 3.44 -8.58 0.03 0
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89388 49961369 1 SN3O4C20H27 AB3C4D20E27 -162.56 4.74 -8.89 -0.86 0
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89389 49961374 1 N2O4H20C23 A2B4C20D23 -104.55 5.67 -9.22 -0.94 0
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89390 49961376 1 N2O2F3H15C17 A2B2C3D15E17 -196.45 6.59 -9.55 -1.04 0
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89391 49961378 1 N2O2C21H26 A2B2C21D26 -60.73 1.41 -9.19 -0.21 0
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89392 49961397 1 S2N4O4H18C23 A2B4C4D18E23 -19.18 7.25 -8.64 -1.02 0
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89393 49961406 1 SN2O2C12H16 AB2C2D12E16 -59.84 3.81 -8.75 -0.41 0
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89394 49961408 1 N2O4C23H28 A2B4C23D28 -120.91 5.33 -8.57 -0.29 0
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89395 49961413 1 O2S2N3H19C22 A2B2C3D19E22 -15.61 2.65 -8.24 -0.65 0
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89396 49961416 1 SN3O3C20H25 AB3C3D20E25 -95.13 9.1 -9.36 -0.51 0
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89397 49961417 1 N2O2C23H28 A2B2C23D28 -66.09 0.39 -9.37 -0.21 0
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89398 49961418 1 O2N3C21H25 A2B3C21D25 -55.5 1.59 -8.79 -0.27 0
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89399 49961433 1 N2O4H40C45 A2B4C40D45 -33.02 5.37 -8.72 -0.37 0
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89400 49961434 1 SN2O4C12H18 AB2C4D12E18 -152.44 7.75 -9.16 -0.76 0
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89401 49961436 2 NO2C10H12 AB2C10D12 -129.44 4.23 -9.52 -0.11 0
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89402 49961439 1 SN2O4C16H18 AB2C4D16E18 -134.06 5.9 -8.84 -0.78 0
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89403 49961463 1 N3O4C12H15 A3B4C12D15 -137.36 4.05 -9.18 -0.25 0
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89404 49961464 1 N2O4C23H30 A2B4C23D30 -153.48 7.61 -9.11 0.09 0
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89405 49961473 1 S2N5O5C26H29 A2B5C5D26E29 -117.12 5.83 -9.38 -1.46 0
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89406 49961474 1 SN2O4C18H22 AB2C4D18E22 -141.0 6.43 -9.61 -0.7 0
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89407 49961488 1 SN2O3C17H22 AB2C3D17E22 -115.24 6.54 -8.26 -0.6 0
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89408 49961498 1 SN2O6C27H30 AB2C6D27E30 -199.7 6.8 -8.16 -0.84 0
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89409 49961499 1 N2O2F3C13H13 A2B2C3D13E13 -218.27 6.72 -9.55 -0.93 0
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89410 49961515 2 NOC8H12 ABC8D12 -84.07 1.61 -8.71 0.31 0
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89411 49961516 1 ON2C18H20 AB2C18D20 8.49 4.11 -9.17 -0.19 0
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89412 49961518 1 Br2N2O2C13H16 A2B2C2D13E16 -48.03 4.18 -9.26 -0.58 0
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89413 49961519 1 ClN2O2C15H21 AB2C2D15E21 -85.05 2.83 -8.85 0.11 0
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89414 49961523 1 SN3C12H17 AB3C12D17 38.69 6.84 -8.4 -0.31 0
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89415 49961524 1 IN2O2C13H17 AB2C2D13E17 -42.3 3.19 -9.08 -0.96 0
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89416 49961525 2 NOC7H10 ABC7D10 -67.09 3.97 -9.06 0.16 0
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89417 49961529 1 N2O3C25H26 A2B3C25D26 -83.13 3.05 -8.66 -0.65 -1
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89418 49961541 1 ClNO3C15H19 ABC3D15E19 -101.94 3.7 0.0 0.0 0
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89419 49961547 1 FN3O4H14C21 AB3C4D14E21 4.95 8.49 -9.87 -1.69 0
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89420 49961557 1 N3O4C14H15 A3B4C14D15 -85.22 5.95 -9.77 -1.23 0
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89421 49961558 1 Cl2N2O4C13H14 A2B2C4D13E14 -138.97 2.84 -9.2 -1.35 0
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89422 49961616 1 O2N4H20C27 A2B4C20D27 121.59 2.43 -9.02 -1.33 0
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89423 49961619 4 NC3H3 AB3C3 101.6 7.76 -9.38 -1.01 0
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89424 49961634 2 N2O2H4C5 A2B2C4D5 6.54 1.04 -9.8 -1.9 0
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89425 49961635 1 O2N3C12H13 A2B3C12D13 -10.58 5.72 -8.99 -1.2 0
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89426 49961642 1 O2N5H15C17 A2B5C15D17 77.34 5.21 -8.99 -1.52 0
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89427 49961647 1 O2N3C13H15 A2B3C13D15 -13.96 7.1 -8.95 -1.05 0
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89428 49961648 1 O2N4H16C17 A2B4C16D17 42.2 3.73 -8.96 -1.57 0
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89429 49961650 1 N4O4H10C11 A4B4C10D11 -2.75 9.08 -9.7 -1.79 0
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89430 49961652 1 FN4O4H9C11 AB4C4D9E11 -40.75 2.85 -9.88 -2.02 0
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89431 49961658 1 N3O4C12H13 A3B4C12D13 -68.73 8.1 -8.7 -1.24 0
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89432 49961662 1 N2O2C17H22 A2B2C17D22 -65.84 2.45 -8.78 -0.65 0
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89433 49961663 1 O2N3C15H15 A2B3C15D15 -5.32 6.32 -9.35 -1.34 0
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89434 49961664 1 O2N5H7C10 A2B5C7D10 118.64 8.4 -9.76 -1.91 0
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89435 49961677 2 NOC8H10 ABC8D10 -57.15 2.86 -8.72 -0.85 0
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89436 49961689 2 NOH9C12 ABC9D12 11.37 4.4 -8.6 -0.76 0
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89437 49961693 1 N3O4H15C20 A3B4C15D20 -9.72 7.11 -8.98 -0.99 0
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89438 49961723 1 SN2O3H14C15 AB2C3D14E15 -66.72 3.85 -8.69 -0.18 0
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89439 49961726 1 N2O4H14C15 A2B4C14D15 -104.53 3.74 -8.72 -0.21 0
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89440 49961731 1 BrN2O3H15C17 AB2C3D15E17 -71.07 5.53 -8.77 -0.28 0
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89441 49961775 1 BrN2O4H19C22 AB2C4D19E22 -82.7 2.41 -8.43 -0.61 0
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89442 49961781 1 N2O3H18C20 A2B3C18D20 -58.81 3.08 -8.52 -0.79 0
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89443 49961799 1 N2O2H22C23 A2B2C22D23 -29.01 3.37 -8.62 -0.64 0
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89444 49961801 1 N3O4C16H17 A3B4C16D17 -90.27 5.06 -8.56 -0.44 0
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89445 49961803 1 O2N3H15C18 A2B3C15D18 3.29 4.35 -9.0 -0.69 0
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89446 49961805 1 N3O3C16H17 A3B3C16D17 -61.59 6.11 -8.9 -0.46 0
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89447 49961807 1 NO5H21C23 AB5C21D23 -127.36 3.06 -8.03 -0.7 0