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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318399 126651116 1 ClN3F4O6H28C29 AB3C4D6E28F29 -410.35 10.61 -8.91 -0.93 0
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318400 126651119 1 FCl2O3N8H33C41 AB2C3D8E33F41 112.37 13.07 -9.27 -1.31 0
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318401 126651121 1 N2O2C11H16 A2B2C11D16 -68.25 4.55 -9.32 -0.35 0
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318402 126651127 1 FSN4O5C24H27 ABC4D5E24F27 -106.53 5.67 -8.87 -0.52 0
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318403 126651130 1 INF3O4H9C10 ABC3D4E9F10 -289.96 4.4 -10.02 -1.53 0
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318404 126651131 1 ClFO3N4H16C20 ABC3D4E16F20 -32.04 5.5 -9.33 -1.12 0
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318406 126651135 1 ClF2N2O7C29H31 AB2C2D7E29F31 -355.27 7.97 -9.06 -1.31 0
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318407 126651145 1 FSN4O5C20H23 ABC4D5E20F23 -95.37 6.97 -9.13 -0.65 0
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318409 126651151 1 BrClFNC6H8 ABCDE6F8 -38.87 2.69 -9.46 -0.29 0
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318411 126651168 1 OCl2N4C16H16 AB2C4D16E16 37.26 2.58 -9.0 -0.81 0
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318413 126651181 1 SN4O8C23H28 AB4C8D23E28 -198.47 7.46 -9.02 -0.57 0
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318414 126651197 1 S2N9O11C52H61 A2B9C11D52E61 -131.62 6.64 -8.79 -0.74 0
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318415 126651220 1 O5N7C27H39 A5B7C27D39 -192.38 1.35 -8.37 -0.42 0
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318416 126651229 1 ClO2N3C16H16 AB2C3D16E16 -16.77 4.65 -9.15 -0.98 0
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318417 126651242 1 SN4O6C23H28 AB4C6D23E28 -67.98 5.55 -8.94 -0.51 0
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318419 126651251 1 ClNF3O5C20H21 ABC3D5E20F21 -342.3 2.84 -8.7 -1.09 0
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318420 126651254 1 NO6C15H21 AB6C15D21 -259.52 7.04 -9.09 -0.2 0
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318422 126651261 1 ON7C18H25 AB7C18D25 24.62 2.51 -8.35 -0.39 0
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318423 126651339 2 O2N3C12H16 A2B3C12D16 -129.64 11.14 -8.67 -0.64 0
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318424 126651340 1 ClNF6O6C23H24 ABC6D6E23F24 -567.91 5.99 -9.34 -1.01 0
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318425 126651342 1 NBr2O2C7H9 AB2C2D7E9 -61.82 4.74 -10.27 -0.96 0
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318426 126651346 1 FINOC12H13 ABCDE12F13 -16.33 1.49 -9.54 -1.08 0
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318427 126651349 1 SN4O5C20H24 AB4C5D20E24 -28.65 3.91 -8.81 -0.46 0
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318428 126651350 1 SN4O6C24H30 AB4C6D24E30 -84.23 6.71 -8.75 -0.31 0
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318429 126651355 1 BrNC6H8 ABC6D8 65.68 2.52 -9.36 0.14 0
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318430 126651359 1 S2N8O11C48H60 A2B8C11D48E60 -123.17 3.58 -8.95 -0.67 0
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318431 126651360 1 SN4O5C24H30 AB4C5D24E30 -40.21 4.86 -8.8 -0.51 0
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318432 126651361 1 SN4O6C24H30 AB4C6D24E30 -77.06 5.25 -8.89 -0.49 0
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318433 126651362 1 N7C20H29 A7B20C29 46.95 3.25 -8.29 -0.32 0
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318435 126651365 1 INO3C14H18 ABC3D14E18 -100.37 2.92 -9.53 -0.98 0
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318436 126651366 1 ON7C15H19 AB7C15D19 44.12 7.27 -8.25 -0.3 0
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318437 126651368 1 F2S2N8O11C51H60 A2B2C8D11E51F60 -313.29 9.28 -8.59 -0.76 0
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318438 126651369 1 FSN4O6C25H29 ABC4D6E25F29 -151.5 5.49 -8.86 -0.61 0
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318443 126651379 1 BrN2O5C17H25 AB2C5D17E25 -191.59 4.39 -8.89 -1.05 0
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318445 126651383 1 OCl2N7C16H23 AB2C7D16E23 -36.02 5.16 -8.3 -0.31 0
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318446 126651384 1 ON7C16H21 AB7C16D21 40.05 7.12 -8.15 -0.16 0
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318447 126651385 1 ClN2F3O7C30H32 AB2C3D7E30F32 -413.92 6.11 -8.57 -1.0 0
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318448 126651386 1 O5N6C26H36 A5B6C26D36 -182.14 2.37 -9.05 -0.6 0
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318452 126651420 1 BrN2O3H9C12 AB2C3D9E12 -62.81 6.11 -9.46 -1.48 1
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318454 126651424 1 SCl2F3N4O5C43H53 AB2C3D4E5F43G53 -365.65 6.06 -8.79 -1.15 0
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318455 126651427 1 Cl2N7C15H21 A2B7C15D21 -2.03 7.16 -8.62 -0.7 0
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318456 126651429 1 ON7C19H27 AB7C19D27 20.62 2.6 -8.32 -0.36 0
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318458 126651432 1 N7C13H15 A7B13C15 91.83 6.93 -8.24 -0.26 0
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318459 126651435 1 ON4C10H12 AB4C10D12 24.02 5.62 -8.25 -0.48 0
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318460 126651436 1 ON4H8C10 AB4C8D10 39.99 3.15 -8.92 -1.35 0
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318461 126651438 1 O4N7C27H39 A4B7C27D39 -155.13 8.57 -8.07 -0.22 0
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318462 126651439 1 N6H14C19 A6B14C19 171.27 3.7 -8.9 -1.47 0
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318463 126651441 2 O2C11H16 A2B11C16 -140.15 6.54 -8.59 -0.69 0
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318464 126651442 1 BrNS2O5C12H14 ABC2D5E12F14 -172.51 6.24 -9.29 -1.06 0
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318466 126651451 1 SN4O6C24H30 AB4C6D24E30 -86.4 5.32 -8.88 -0.48 0
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318468 126651457 1 FSN4O5C22H27 ABC4D5E22F27 -116.3 6.57 -8.86 -0.56 0
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318470 126651462 1 FIN2C12H16 ABC2D12E16 -15.19 1.83 -9.27 -0.82 0
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318474 126651468 1 FSN3O5C18H20 ABC3D5E18F20 -210.45 3.26 -8.41 -0.11 0
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318475 126651473 1 ClNO3C19H22 ABC3D19E22 -93.38 5.62 -9.56 -0.04 0
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318476 126651474 1 ClNO3C19H22 ABC3D19E22 -89.83 4.96 -9.48 0.11 -1
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318477 126651475 1 CO2H3S4 AB2C3D4 -60.82 4.52 0.0 0.0 0
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318478 126651477 1 SN4O7C26H34 AB4C7D26E34 -131.9 8.21 -8.83 -0.41 0
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318479 126651480 1 SN5O7C23H29 AB5C7D23E29 -128.37 4.07 -8.77 -0.6 0
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318480 126651481 1 SN5O7C23H29 AB5C7D23E29 -128.27 5.53 -8.78 -0.55 0
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318481 126651490 1 BrNOC6H8 ABCD6E8 25.92 2.45 -9.72 -0.06 0
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318482 126651494 1 NS2O5C12H15 AB2C5D12E15 -179.18 6.91 -9.31 -0.94 0
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318483 126651495 1 BrNOC10H14 ABCD10E14 24.52 3.0 -9.1 0.07 0
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318484 126651501 1 BrN2O2C9H13 AB2C2D9E13 -38.66 2.63 -8.89 -0.09 0
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318485 126651502 1 INO3C13H16 ABC3D13E16 -80.6 4.69 -9.67 -1.34 0
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318487 126651506 1 FINC10H11 ABCD10E11 4.22 2.22 -9.26 -1.03 0
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318488 126651510 1 BrClNC7H11 ABCD7E11 19.48 3.09 -9.28 0.12 0
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318489 126651515 2 SN4O5C22H27 AB4C5D22E27 -46.08 6.12 -8.8 -0.51 0
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318490 126651517 1 SN4O5C23H28 AB4C5D23E28 -13.06 6.5 -8.82 -0.45 0
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318492 126651521 1 BrNC6H8 ABC6D8 72.6 2.35 -9.1 0.14 0
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318493 126651522 1 BrSN2O5C12H15 ABC2D5E12F15 -179.59 7.69 -9.15 -0.37 0
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318494 126651526 1 FSN4O5C24H27 ABC4D5E24F27 -105.79 7.95 -8.67 -0.46 0
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318495 126651532 1 FSN4O5C23H25 ABC4D5E23F25 -104.4 7.13 -8.82 -0.7 0
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318496 126651534 1 BrFNC8H11 ABCD8E11 -14.53 2.43 -8.93 -0.18 0
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318497 126651536 1 SN4O7C22H24 AB4C7D22E24 -161.49 8.01 -8.82 -0.7 0
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318498 126651539 1 FSN4O5C21H25 ABC4D5E21F25 -96.5 9.17 -8.92 -0.6 0