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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32330 6436540 1 NO2C21H21 AB2C21D21 5.04 2.6 -8.69 -0.58 0
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32331 6436547 1 N2O3C24H46 A2B3C24D46 -205.47 3.77 -9.62 0.6 0
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32333 6436555 1 N2O3C25H48 A2B3C25D48 -181.32 11.32 -9.58 -0.33 0
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32334 6436559 1 OC10H16 AB10C16 -33.12 1.72 -8.78 0.24 0
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32335 6436562 1 ClN2O4C30H33 AB2C4D30E33 -109.15 3.99 -8.29 -1.34 0
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32336 6436571 1 ClN2O9C40H49 AB2C9D40E49 -318.53 7.33 -8.56 -1.98 0
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32337 6436577 1 ClN2O4C30H33 AB2C4D30E33 -105.98 3.29 -8.66 -1.4 0
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32338 6436578 1 ClN2O4C30H33 AB2C4D30E33 -111.06 6.37 -8.35 -1.4 0
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32339 6436583 1 ClN3O4C28H30 AB3C4D28E30 -116.68 4.21 -8.51 -0.18 0
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32340 6436589 1 NC16H21 AB16C21 37.98 2.62 -8.69 0.53 0
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32341 6436617 1 OC17H26 AB17C26 -45.55 3.05 -9.1 0.67 0
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32342 6436621 1 OC10H16 AB10C16 -22.89 3.13 -9.44 1.2 0
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32343 6436622 1 NC10H13 AB10C13 23.86 1.21 -8.88 -0.12 0
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32344 6436627 1 OC10H18 AB10C18 -69.96 2.02 -9.2 1.36 0
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32345 6436640 1 ClSN2O2C24H27 ABC2D2E24F27 -47.15 0.5 -8.4 -0.61 0
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32346 6436648 2 OC9H17 AB9C17 -145.95 1.79 -9.51 0.83 0
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32347 6436655 4 OC3H3 AB3C3 -118.3 1.24 -8.78 -0.39 0
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32348 6436656 2 SN2O3H4C7 AB2C3D4E7 32.82 12.96 -9.98 -3.14 0
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32350 6436667 1 PC3O3H7 AB3C3D7 -176.9 4.62 -10.82 0.22 0
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32351 6436669 1 O7C32H46 A7B32C46 -313.68 7.24 -9.27 0.42 0
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32352 6436671 1 SO2C20H38 AB2C20D38 -150.41 3.04 -9.18 0.24 -2
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32354 6436673 1 N3O4C9H13 A3B4C9D13 -44.26 6.74 -9.5 -1.4 0
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32355 6436674 1 ClHN2C4 ABC2D4 75.1 0.83 -11.09 -1.82 0
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32356 6436684 1 O2C19H36 A2B19C36 -144.06 0.64 -9.47 1.48 0
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32357 6436690 2 NO2C6H11 AB2C6D11 -183.7 0.35 -9.2 0.08 0
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32358 6436708 4 OC8H15 AB8C15 -288.97 3.27 -9.47 0.7 0
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32359 6436710 1 OC11H20 AB11C20 -54.08 3.03 -9.63 0.49 0
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32360 6436712 1 NSNa2O6C22H39 ABC2D6E22F39 -329.5 42.43 -7.91 -2.69 0
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32361 6436715 1 SN3H19C26 AB3C19D26 171.13 8.16 -8.22 -1.03 0
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32362 6436722 2 C20H31 A20B31 -0.7 1.14 -8.02 0.25 0
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32363 6436725 1 NPO8C44H84 ABC8D44E84 -533.23 12.57 -9.47 -0.17 0
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32364 6436726 1 NO12C37H45 AB12C37D45 -446.46 5.19 -9.46 -1.68 0
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32365 6436727 1 OC15H24 AB15C24 -38.0 3.27 -9.19 1.4 0
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32366 6436728 1 NO3C22H41 AB3C22D41 -177.85 3.82 -9.4 0.78 0
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32367 6436734 2 S3N6O9C20H22 A3B6C9D20E22 -554.35 3.63 -9.13 -1.73 0
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32368 6436743 1 SN4C10H14 AB4C10D14 64.83 8.14 -8.23 -0.64 0
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32369 6436749 1 OH14C16 AB14C16 22.59 3.14 -9.44 -0.4 0
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32370 6436752 1 N2H12C13 A2B12C13 84.15 1.77 -8.34 -0.34 0
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32371 6436762 1 O2N4C15H16 A2B4C15D16 66.6 8.95 -9.06 -1.52 0
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32372 6436763 2 N2O2C8H9 A2B2C8D9 -4.61 7.22 -8.51 -1.52 0
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32373 7636306 1 SN2O3C15H22 AB2C3D15E22 -129.98 5.53 -8.7 0.18 0
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32374 7636307 1 SN2O3C14H18 AB2C3D14E18 -97.52 6.9 -8.75 0.08 0
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32375 7636362 1 N2S2O3C17H20 A2B2C3D17E20 -86.76 8.77 -8.9 -1.01 0
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32376 7636364 1 ClSN2O3C13H17 ABC2D3E13F17 -114.85 1.37 -8.66 -0.31 0
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32377 7636365 1 SN2O3C16H24 AB2C3D16E24 -134.77 1.48 -8.63 0.04 0
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32378 7636366 1 SN2O3C15H20 AB2C3D15E20 -99.73 3.46 -8.99 -0.08 0
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32379 7636367 1 SN2O3C20H24 AB2C3D20E24 -96.86 7.96 -8.61 0.02 0
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32382 7739832 2 NO2C12H14 AB2C12D14 -154.78 5.09 -8.7 -0.21 1
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32383 7740538 1 OSN3C18H26 ABC3D18E26 2.4 6.39 0.0 0.0 0
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32384 7741694 1 O2S2N3H13C20 A2B2C3D13E20 69.89 7.19 -9.1 -1.43 0
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32385 7742978 1 BrSN2O4H13C16 ABC2D4E13F16 -88.65 3.71 -9.22 -1.41 0
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32386 7743815 1 ON2S3C16H16 AB2C3D16E16 28.43 3.37 -8.59 -1.05 0
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32387 7744350 1 S2O5C20H20 A2B5C20D20 -147.03 4.58 -8.98 -0.66 2
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32388 7746128 1 ON3C20H23 AB3C20D23 82.13 17.15 -4.96 -1.62 0
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32389 7747504 1 N2F3O5H15C18 A2B3C5D15E18 -256.99 10.31 -9.87 -1.64 0
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32390 7753225 1 ClS2N3O3C17H20 AB2C3D3E17F20 -83.22 8.15 -9.22 -0.91 0
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32391 7755873 1 NO6H21C22 AB6C21D22 -196.23 4.98 -8.69 -0.85 0
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32392 7757433 1 N2O3C18H24 A2B3C18D24 -97.11 5.59 -9.07 -0.79 0
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32393 7757472 1 N2O5C18H22 A2B5C18D22 -161.86 10.6 -8.93 -0.66 0
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32394 7760016 1 SN3O4C19H23 AB3C4D19E23 -132.51 10.25 -9.1 -0.78 0
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32395 7762656 1 ClNO4C21H24 ABC4D21E24 -153.29 6.0 -8.81 -0.06 0
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32396 7765343 1 N3O5H17C18 A3B5C17D18 -91.82 3.55 -8.65 -1.28 0
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32397 7768276 1 NO6H21C23 AB6C21D23 -201.34 5.65 -9.14 -0.99 0
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32398 7769593 1 FSN2O4C19H21 ABC2D4E19F21 -156.49 6.26 -9.31 -1.0 0
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32399 7771933 1 SN2O3C18H18 AB2C3D18E18 -76.46 2.86 -8.85 -0.41 0
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32400 7778271 1 NO3C16H21 AB3C16D21 -113.83 5.09 -8.7 -0.02 1
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32401 7780516 1 SN2O5C21H25 AB2C5D21E25 -128.36 4.1 0.0 0.0 0
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32402 7780965 2 NO2C9H9 AB2C9D9 -129.32 4.87 -9.06 -0.63 0
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32403 7781202 1 ClN2O3H15C16 AB2C3D15E16 -99.99 7.47 -8.83 -0.77 0
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32404 7783460 1 BrNO3C17H18 ABC3D17E18 -91.66 6.75 -8.8 -0.75 0
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32405 7783626 1 ClSO2N5H10C11 ABC2D5E10F11 88.32 7.23 -8.88 -1.56 0
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32406 7785949 1 NO3C20H23 AB3C20D23 -108.84 5.04 -9.13 -0.8 -1
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32407 7785994 1 SN3O4H16C18 AB3C4D16E18 -110.96 4.13 0.0 0.0 0
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32408 7788195 1 N2O5C20H22 A2B5C20D22 -141.92 3.71 -9.49 -0.64 0
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32409 7789918 1 NO3H11C15 AB3C11D15 -47.1 3.12 -9.54 -0.91 0
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32410 7790631 1 SN2O4C21H24 AB2C4D21E24 -135.34 6.29 -8.76 -0.94 0
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32411 7790959 2 NO3C8H10 AB3C8D10 -221.21 5.74 -8.57 -0.95 0
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32412 7799512 1 SN2O5H12C15 AB2C5D12E15 -81.92 3.36 -9.54 -1.12 0
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32415 7800916 1 SN4O4C17H22 AB4C4D17E22 -115.42 5.48 -8.99 -0.73 0
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32416 7801120 1 NSF2O3H15C16 ABC2D3E15F16 -182.83 5.05 -9.2 -1.1 0
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32417 7802901 1 N2O4C17H18 A2B4C17D18 -75.31 6.46 -9.37 -1.33 0
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32418 7803324 1 NS2O4H15C19 AB2C4D15E19 -87.37 4.46 -8.76 -0.94 0
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32419 7804573 1 N2O5C22H22 A2B5C22D22 -148.8 7.85 -9.02 -1.31 0
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32420 7805647 1 FSO2N3C20H20 ABC2D3E20F20 -41.17 8.74 -8.85 -0.8 0
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32421 7812208 1 FSN2O4C14H17 ABC2D4E14F17 -194.88 1.19 -9.13 -0.58 0
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32422 7812421 1 ClNO4C23H24 ABC4D23E24 -141.46 5.62 -9.72 -1.26 0
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32423 7814576 1 SO2N3C20H23 AB2C3D20E23 2.16 5.59 -8.9 -0.59 0
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32424 7814631 1 SN3O4C21H23 AB3C4D21E23 -75.36 9.6 -8.72 -0.55 0
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32425 7814733 1 N2O6C21H24 A2B6C21D24 -150.21 11.28 -9.08 -1.11 0
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32426 7815879 1 OSN5H19C20 ABC5D19E20 63.77 4.57 -9.16 -0.91 0
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32427 7816684 1 SO2N4C17H24 AB2C4D17E24 -32.53 4.17 -8.98 -0.85 0
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32428 7817213 1 N2O5C17H18 A2B5C17D18 -91.8 7.56 -9.11 -1.4 0
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32429 7820404 1 ON3S3H13C14 AB3C3D13E14 59.89 5.02 -8.76 -1.2 0
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32430 7821340 1 NSO6C20H21 ABC6D20E21 -201.46 3.46 -9.78 -0.6 0
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32431 7821556 1 N2O5C19H22 A2B5C19D22 -196.93 6.27 -9.33 -0.32 0
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32432 7824926 1 SCl2N2O4H14C15 AB2C2D4E14F15 -157.38 4.44 -9.13 -1.6 0
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32433 7825257 1 NO3H17C25 AB3C17D25 5.57 1.48 -8.96 -1.42 1
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32434 7826471 1 ClNO2C11H17 ABC2D11E17 -69.49 6.43 0.0 0.0 0
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32435 7835955 1 SN2O5H18C20 AB2C5D18E20 -129.17 3.27 -9.15 -1.08 0
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32436 7835960 1 SN2O6H16C19 AB2C6D16E19 -153.7 3.92 -8.44 -1.03 0