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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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189466 77861824 1 N5O5H23C24 A5B5C23D24 -115.76 5.99 -8.95 -1.46 0
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189467 77861825 1 N2O3H8C10 A2B3C8D10 -46.76 4.02 -9.38 -2.19 0
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189468 77861826 1 NO5C15H15 AB5C15D15 -164.5 3.59 -9.55 -1.16 0
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189469 77861827 1 INC11H14 ABC11D14 34.44 4.38 -7.97 -0.96 0
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189470 77861828 1 O5N6C31H38 A5B6C31D38 -178.39 6.06 -8.73 -0.54 0
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189471 77861829 1 ClOC12H17 ABC12D17 -53.33 2.89 -8.65 -0.02 0
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189472 77861887 1 ON2C14H20 AB2C14D20 -38.21 6.37 -9.26 -0.06 0
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189473 77862131 1 O6C43H72 A6B43C72 -359.45 3.02 -9.39 -0.46 0
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189474 77862930 1 OSN5C19H23 ABC5D19E23 -2.87 5.22 -8.79 -0.57 0
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189475 77862931 1 FSO2N3C17H18 ABC2D3E17F18 -31.18 8.55 -8.36 -0.28 1
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189476 77863103 1 BrFO2N6C18H21 ABC2D6E18F21 -55.88 3.78 0.0 0.0 0
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189477 77863489 1 OF2N10C22H26 AB2C10D22E26 3.76 3.97 -9.26 -1.08 0
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189478 77863566 1 NO4C21H21 AB4C21D21 -68.81 4.65 -8.88 -0.81 0
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189479 77863922 1 SO4N5C20H27 AB4C5D20E27 -121.61 6.62 -8.63 -0.52 0
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189480 77863940 1 ClSN2O4C20H29 ABC2D4E20F29 -181.7 4.68 -9.48 -0.6 0
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189481 77863941 1 NO5C30H37 AB5C30D37 -174.3 6.68 -9.12 -0.88 0
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189482 77864105 2 ClNO2C15H15 ABC2D15E15 -145.58 3.1 -9.37 -0.63 0
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189483 77864113 1 FCl2O3N4C33H35 AB2C3D4E33F35 -133.09 5.71 -8.65 -0.98 0
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189484 77864550 1 SN5O6C41H61 AB5C6D41E61 -261.3 8.78 -9.01 -0.48 0
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189485 77864551 1 N5O7C32H51 A5B7C32D51 -323.06 8.74 -9.51 -0.67 1
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189486 77864695 1 O2N8C23H27 A2B8C23D27 33.93 7.81 0.0 0.0 0
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189487 77864760 1 NOC18H35 ABC18D35 -88.0 1.25 -8.53 2.36 0
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189488 77865199 1 ClFN2O3H10C13 ABC2D3E10F13 -130.91 3.6 -10.16 -1.81 0
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189489 77865408 1 O2N3C21H25 A2B3C21D25 -34.29 6.9 -8.6 -0.17 0
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189490 77865524 1 OC20H30 AB20C30 -62.87 2.85 -8.55 0.3 0
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189491 77865548 2 ON2C13H16 AB2C13D16 -22.78 4.72 -9.09 0.16 0
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189492 77865549 1 FN2C26H27 AB2C26D27 15.41 2.88 -9.0 -0.56 0
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189493 77865550 1 NO4C16H27 AB4C16D27 -212.24 1.98 -9.8 -0.13 0
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189494 77865905 1 ClN2O4C35H39 AB2C4D35E39 -149.22 5.38 -9.18 -0.88 0
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189495 77865906 1 ClN2O3C24H35 AB2C3D24E35 -181.89 4.57 -9.14 -0.02 1
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189496 77866121 1 N2O13C31H51 A2B13C31D51 -621.03 2.17 0.0 0.0 0
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189497 77866179 1 N2O2C25H36 A2B2C25D36 -66.23 4.21 -8.5 -0.22 0
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189498 77866180 1 ON2C25H36 AB2C25D36 -37.12 3.21 -8.46 -0.11 0
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189499 77866200 1 O3N4H16C18 A3B4C16D18 24.88 1.34 -8.49 -0.49 0
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189500 77866354 1 OSN3C23H25 ABC3D23E25 34.76 3.44 -8.42 -0.82 0
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189501 77866487 1 ClN2O3C24H31 AB2C3D24E31 -143.14 4.13 -9.1 -1.0 0
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189502 77866546 1 SiO6C28H38 AB6C28D38 -299.85 1.45 -9.03 -0.07 0
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189503 77866969 1 F2N5O5C30H37 A2B5C5D30E37 -223.06 4.44 -8.88 -0.65 0
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189504 77866970 1 F2O4N5C28H35 A2B4C5D28E35 -182.54 4.36 -8.64 -0.55 0
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189505 77866971 1 ON7C27H29 AB7C27D29 89.56 3.75 -8.79 -0.38 0
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189506 77866972 1 F2O3N5C25H31 A2B3C5D25E31 -136.08 5.27 -8.97 -0.52 0
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189507 77866973 1 F2O3N5C24H27 A2B3C5D24E27 -126.62 2.39 -9.28 -0.68 0
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189508 77866974 1 FO3N5C25H30 AB3C5D25E30 -75.55 4.73 -8.51 -0.45 0
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189509 77866976 1 F2O2N7C26H31 A2B2C7D26E31 -64.64 5.6 -8.55 -0.68 0
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189510 77866991 1 NOF5C14H16 ABC5D14E16 -277.56 2.87 -9.56 -0.44 0
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189511 77867095 1 F2O2N6C29H32 A2B2C6D29E32 -54.58 7.32 -8.92 -0.49 0
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189512 77867198 1 BrSF2O4N6C29H35 ABC2D4E6F29G35 -175.9 6.93 -9.26 -0.94 0
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189513 77867602 1 F5O5N6H21C23 A5B5C6D21E23 -364.36 2.73 -9.33 -1.18 0
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189514 77867635 1 ClF2O3N9H20C23 AB2C3D9E20F23 -83.96 3.87 -8.46 -1.51 0
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189515 77867636 2 O2N3C11H12 A2B3C11D12 -114.68 6.19 -8.44 -0.41 0