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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61351 26708476 1 ClFOSN2H12C20 ABCDE2F12G20 1.48 2.82 -8.99 -1.14 0
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61352 26708487 1 SO3N4C15H18 AB3C4D15E18 -80.86 8.42 -9.27 -1.18 0
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61353 26708502 1 S2O3N4C21H24 A2B3C4D21E24 -55.5 4.92 -8.99 -1.35 0
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61354 26708516 1 FSO2N4C19H19 ABC2D4E19F19 -35.91 6.44 -9.02 -0.77 1
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61355 26708524 1 FO2N3C22H27 AB2C3D22E27 -84.11 5.26 0.0 0.0 0
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61356 26708546 1 SN3O4C19H21 AB3C4D19E21 -59.97 4.88 -8.62 -0.85 0
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61357 26708549 1 NO5C21H27 AB5C21D27 -185.45 1.98 -8.55 -0.09 0
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61358 26708552 1 ClFNO3C17H17 ABCD3E17F17 -142.3 1.76 -8.48 -1.01 0
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61359 26708561 1 ClFNSO3H13C15 ABCDE3F13G15 -134.91 8.51 -9.24 -1.11 0
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61360 26708564 1 ClNSO4H16C17 ABCD4E16F17 -130.98 4.93 -9.28 -0.61 0
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61361 26708571 1 N4O4H16C19 A4B4C16D19 32.93 9.24 -9.78 -1.2 0
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61362 26708578 1 ClN3O5H14C18 AB3C5D14E18 -31.86 4.33 -9.71 -1.3 0
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61363 26708585 1 FSN2O6C19H19 ABC2D6E19F19 -174.46 4.2 -9.69 -1.06 0
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61364 26708592 1 N2O4C23H28 A2B4C23D28 -128.22 3.15 -8.25 0.19 0
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61365 26708616 1 BrFO2S2N3H13C17 ABC2D2E3F13G17 -41.62 5.89 -8.89 -1.27 0
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61366 26708619 1 O2S2N5H21C23 A2B2C5D21E23 57.34 7.51 -8.7 -0.97 0
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61367 26708632 1 SN3O4C24H29 AB3C4D24E29 -106.62 6.41 -8.84 -1.34 0
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61368 26708644 1 SN4O4C24H24 AB4C4D24E24 -26.56 4.56 -8.49 -0.86 0
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61369 26708650 1 S2N3O5H23C24 A2B3C5D23E24 -128.33 6.11 -9.24 -1.68 0
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61370 26708651 1 ClFOSN2H14C18 ABCDE2F14G18 -16.74 3.73 -9.12 -1.3 0
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61371 26708662 1 FS2O3N4H21C23 AB2C3D4E21F23 -57.58 6.94 -8.95 -1.27 0
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61372 26708672 1 FN2O3S3C21H23 AB2C3D3E21F23 -122.91 5.74 -8.97 -0.99 0
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61373 26708704 1 ClS2N3O6H12C18 AB2C3D6E12F18 -79.02 8.27 -9.68 -1.79 0
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61374 26708706 2 SN2O3H9C10 AB2C3D9E10 -94.52 11.26 -9.54 -1.7 0
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61375 26708710 1 SO3N4H18C19 AB3C4D18E19 -70.07 7.2 -8.14 -1.51 0
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61376 26708718 1 N3O3H27C28 A3B3C27D28 -53.17 6.45 -8.13 -0.18 0
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61377 26708719 1 S2N3O4C18H21 A2B3C4D18E21 -111.48 6.85 -8.37 -0.87 0
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61378 26708721 2 SN2O2C11H11 AB2C2D11E11 -72.83 5.69 -8.07 -1.61 0
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61379 26708722 1 SN3O5C23H25 AB3C5D23E25 -137.29 6.98 -8.06 -0.73 0
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61380 26708746 1 BrFSN3O3C19H23 ABCD3E3F19G23 -123.86 7.96 -9.03 -1.11 0
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61381 26708747 1 SN3O5C23H33 AB3C5D23E33 -179.85 10.38 -8.89 -0.46 0
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61382 26708755 1 ClO2N4H21C22 AB2C4D21E22 -9.94 5.93 -8.76 -0.55 0
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61383 26708756 1 ClFSO3N4C22H22 ABCD3E4F22G22 -83.06 8.56 -8.82 -1.02 0
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61384 26708760 1 SF2O2N3H17C23 AB2C2D3E17F23 -44.7 8.28 -9.01 -1.02 0
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61385 26708765 1 F2N2S2O3H22C23 A2B2C2D3E22F23 -145.09 5.97 -9.39 -0.81 0
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61386 26708770 2 FNO3H8C13 ABC3D8E13 -160.01 3.4 -9.24 -1.22 0
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61387 26708787 1 ClSO2N3H12C17 ABC2D3E12F17 24.03 4.73 -9.35 -1.34 0
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61388 26708788 1 ClSO2N3H12C17 ABC2D3E12F17 24.11 4.83 -9.37 -1.33 0
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61389 26708792 1 SO2N3H13C17 AB2C3D13E17 31.43 4.44 -8.91 -1.48 0
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61390 26708798 1 SN2O2H24C25 AB2C2D24E25 -24.87 5.31 -8.7 -0.38 0
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61391 26708801 1 ClSN2O5C20H23 ABC2D5E20F23 -173.09 7.19 -8.76 -0.53 0
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61392 26708809 1 FSN4O5C22H23 ABC4D5E22F23 -149.78 11.52 -8.56 -1.11 0
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61393 26708811 1 SN4O4C22H24 AB4C4D22E24 -53.97 9.6 -8.58 -1.0 0
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61394 26708812 1 ClSO3N5H20C24 ABC3D5E20F24 6.25 3.98 -9.51 -1.18 0
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61395 26708826 1 FSO2N4H17C22 ABC2D4E17F22 17.97 9.2 -8.77 -0.91 0
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61396 26708844 1 F2N2O3H24C26 A2B2C3D24E26 -171.07 7.11 -8.77 -0.2 0
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61397 26708862 1 N2O4C29H30 A2B4C29D30 -100.1 4.3 -8.39 -0.58 0
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61398 26708889 1 ClSN2O3H15C19 ABC2D3E15F19 -35.08 4.0 -8.53 -0.81 0
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61399 26708920 1 FOBr2N3H12C17 ABC2D3E12F17 13.83 3.36 -9.49 -1.25 0
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61400 26708923 1 Br2N3O3H17C19 A2B3C3D17E19 -16.37 3.02 -9.17 -0.78 0
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61401 26708939 1 SO3N5H25C27 AB3C5D25E27 8.98 3.12 -8.45 -1.5 0
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61402 26708942 1 ClO2N3H18C23 AB2C3D18E23 13.62 1.52 -8.56 -0.58 0
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61403 26708943 1 ClO2N3H18C23 AB2C3D18E23 13.37 2.36 -8.55 -0.56 0
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61404 26708948 1 NSF2O3H13C15 ABC2D3E13F15 -175.91 7.97 -9.55 -0.93 0
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61405 26708949 1 BrNSF2O3H10C14 ABCD2E3F10G14 -162.74 7.14 -9.65 -1.34 0
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61406 26708980 1 ClON4H21C25 ABC4D21E25 95.68 5.04 -9.33 -0.7 0
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61407 26708984 1 ClSO2N3H18C22 ABC2D3E18F22 45.6 3.74 -9.28 -0.94 0
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61408 26708986 1 ClSN3O3H24C26 ABC3D3E24F26 -27.86 5.84 -9.53 -1.4 0
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61409 26708988 1 ClSO2N3H18C22 ABC2D3E18F22 -8.77 5.23 -9.19 -1.52 0
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61410 26708990 1 ClN2O2H23C26 AB2C2D23E26 -19.12 5.76 -8.67 -0.42 0
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61411 26708994 1 ClN2O2H23C24 AB2C2D23E24 -36.67 4.96 -9.39 -0.29 0
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61412 26709002 1 ClNO4C24H24 ABC4D24E24 -98.91 7.35 -8.88 -0.06 0
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61413 26709023 1 BrFON3H15C21 ABCD3E15F21 17.3 2.51 -8.44 -1.21 0
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61414 26709093 1 BrNO5C18H20 ABC5D18E20 -148.47 2.77 -8.1 -0.63 0
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61415 26709097 1 ON4C24H28 AB4C24D28 47.88 3.25 -9.17 -0.51 0
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61416 26709106 1 BrOSN6H17C20 ABCD6E17F20 138.82 7.97 -8.91 -0.93 0
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61417 26709110 1 SO3N5C23H23 AB3C5D23E23 7.7 7.44 -9.14 -1.26 1
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61418 26709114 1 BrFON3C18H20 ABCD3E18F20 -6.7 2.91 0.0 0.0 0
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61419 26709119 1 SO2N5C20H23 AB2C5D20E23 36.89 3.67 -8.1 -0.88 0
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61420 26709123 1 SO3N5C24H29 AB3C5D24E29 -37.78 7.22 -8.56 -1.41 0
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61421 26709143 1 FSO3N4C23H29 ABC3D4E23F29 -119.08 4.28 -8.02 -0.82 0
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61422 26709145 1 FSO3N4C23H29 ABC3D4E23F29 -119.96 6.97 -7.98 -1.15 0
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61423 26709149 1 FO2N5C22H24 AB2C5D22E24 -17.49 4.26 -8.15 -0.95 0
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61424 26709153 1 SN3O3C23H27 AB3C3D23E27 -60.06 6.68 -9.42 -1.29 0
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61425 26709165 1 ClSO3N5H22C24 ABC3D5E22F24 -4.32 6.57 -9.11 -1.12 0
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61426 26709169 1 BrN2S2O3C18H27 AB2C2D3E18F27 -116.21 2.16 -9.54 -1.16 0
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61427 26709184 2 NOC9H13 ABC9D13 -99.95 3.61 -9.64 -0.51 0
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61428 26709227 1 SO2N3C21H29 AB2C3D21E29 -103.5 4.92 -8.52 -0.75 0
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61429 26709288 1 O2N5H25C28 A2B5C25D28 59.71 3.33 -9.32 -1.15 0
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61430 26709289 1 F2O2N3H19C20 A2B2C3D19E20 -105.92 3.79 -9.24 -0.85 0
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61431 26709342 1 S2N3O3C23H25 A2B3C3D23E25 -67.2 2.68 -8.47 -0.81 0
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61432 26709344 1 SN2O2H18C19 AB2C2D18E19 -11.07 2.82 -8.57 -0.64 0
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61433 26709378 1 SN2O3H18C21 AB2C3D18E21 -36.79 1.05 -8.57 -1.31 0
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61434 26709379 1 SN2O2H18C22 AB2C2D18E22 11.55 2.51 -8.56 -0.66 0
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61435 26709389 1 S2N3O4C24H27 A2B3C4D24E27 -97.49 5.67 -8.53 -0.8 0
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61436 26709397 1 S2N3O4C22H23 A2B3C4D22E23 -70.17 5.15 -8.41 -0.96 1
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61437 26709406 1 N3O5C21H32 A3B5C21D32 -169.07 4.34 0.0 0.0 0
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61438 26709409 1 N3O6C23H33 A3B6C23D33 -251.15 4.13 -8.57 -0.11 0
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61439 26709422 1 OSN4H14C19 ABC4D14E19 77.54 4.22 -8.63 -1.62 0
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61440 26709424 1 S2N3O3C23H23 A2B3C3D23E23 -25.87 11.18 -8.78 -0.93 0
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61441 26709430 1 N3O5C24H29 A3B5C24D29 -165.68 1.55 -8.2 -0.1 0
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61442 26709431 1 BrSN3O3H16C21 ABC3D3E16F21 -37.51 4.65 -8.45 -1.92 0
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61443 26709437 1 BrN2O4C18H23 AB2C4D18E23 -167.35 5.03 -9.07 -0.2 0
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61444 26709440 1 S2N3O3C21H21 A2B3C3D21E21 -59.84 5.7 -8.43 -0.6 0
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61445 26709472 1 SN3O4C24H31 AB3C4D24E31 -125.65 1.49 -8.77 -0.92 1
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61446 26709473 1 ON2F3C22H26 AB2C3D22E26 -160.57 7.6 0.0 0.0 0
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61447 26709474 1 ON2F3C22H25 AB2C3D22E25 -178.99 6.09 -8.77 -0.61 1
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61448 26709475 1 N2O4C25H35 A2B4C25D35 -116.68 7.86 0.0 0.0 0
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61449 26709476 1 N2O4C25H34 A2B4C25D34 -135.73 1.69 -8.71 0.17 1
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61450 26709507 1 SN3O4C27H38 AB3C4D27E38 -119.81 4.35 0.0 0.0 0