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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163528 58030829 1 SO3C36H54 AB3C36D54 -219.79 5.38 -9.53 -0.38 0
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163529 58030981 1 FNSO2 ABCD2 -47.11 1.6 -9.39 -1.35 0
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163530 58032927 1 ClN2F3O3H24C28 AB2C3D3E24F28 -221.62 4.27 -9.24 -1.18 0
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163531 58033261 1 F2O2N3C16H19 A2B2C3D16E19 -152.1 3.65 -8.86 -0.85 0
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163532 58033265 1 BrON2H5C8 ABC2D5E8 21.2 5.42 -9.1 -1.11 0
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163533 58033310 1 NSO8C32H33 ABC8D32E33 -232.58 10.24 -7.95 -1.18 0
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163534 58033334 1 FNSO5H24C25 ABCD5E24F25 -174.61 5.24 -8.52 -1.04 0
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163535 58033353 1 NSO6H31C32 ABC6D31E32 -125.69 6.63 -8.17 -0.76 0
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163536 58033961 1 ON2C21H32 AB2C21D32 -69.59 4.93 -8.74 -0.01 0
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163537 58033984 1 N3O3C25H27 A3B3C25D27 -44.37 4.9 -9.08 -0.65 0
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163538 58033993 1 NO4C12H15 AB4C12D15 -119.96 3.31 -10.76 -0.84 0
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163540 58034032 1 ClFN2O2H24C25 ABC2D2E24F25 -58.3 4.32 -9.29 -0.84 0
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163542 58034070 1 ClN3O5H24C29 AB3C5D24E29 -87.53 4.77 -9.0 -1.3 0
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163544 58034118 1 ClN2O4H23C28 AB2C4D23E28 -62.68 4.28 -8.63 -0.95 0
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163545 58034120 1 ClN3O5H20C27 AB3C5D20E27 -70.7 7.13 -8.36 -1.18 0
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163547 58034125 1 ClNO4H20C27 ABC4D20E27 -53.88 3.97 -8.79 -1.07 0
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163549 58034148 1 ClN2F3O3H20C28 AB2C3D3E20F28 -183.96 6.33 -8.94 -1.24 0
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163550 58034158 1 ClFN2O4H28C32 ABC2D4E28F32 -93.52 7.05 -8.74 -0.86 0
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163551 58034210 1 ClN3O4H26C31 AB3C4D26E31 -37.15 7.35 -9.0 -1.39 0
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163552 58034226 1 NCl2O7H21C24 AB2C7D21E24 -228.67 10.77 -9.4 -1.39 0
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163553 58034228 1 NO2C13H15 AB2C13D15 -59.26 2.79 -8.39 -0.34 0
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163554 58034474 1 ON4H12C16 AB4C12D16 78.51 4.29 -9.38 -1.68 0
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163555 58034484 1 O4N5H29C36 A4B5C29D36 18.42 5.56 -9.05 -1.57 0
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163556 58034519 1 O3N6H30C40 A3B6C30D40 91.11 5.52 -9.18 -1.57 0
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163557 58034553 1 ON5H11C17 AB5C11D17 120.08 2.77 -8.92 -1.8 0
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163558 58034563 1 BrON5H26C29 ABC5D26E29 123.6 4.76 -9.07 -1.57 0
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163560 58034917 1 ClFN3O3H21C27 ABC3D3E21F27 -61.32 3.5 -8.84 -0.96 0
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163561 58034950 1 ClF3N3O5H19C28 AB3C3D5E19F28 -255.33 6.79 -9.03 -1.3 0
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163562 58035010 1 O5N10C35H44 A5B10C35D44 -118.83 3.3 -8.59 -0.29 0
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163563 58035061 1 SN2O2C8H18 AB2C2D8E18 -80.33 5.81 -9.03 1.34 0
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163564 58036437 1 BON3C10H11 ABC3D10E11 51.03 4.83 0.0 0.0 0
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163565 58036441 1 BN4H18C19 AB4C18D19 86.18 5.07 0.0 0.0 0
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163566 58036445 1 BN4H24C32 AB4C24D32 159.42 4.93 0.0 0.0 0
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163567 58036446 1 BFIrN3C8H10 ABCD3E8F10 72.0 22.59 -9.37 -6.03 0
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163568 58036450 1 BIrN4H24C32 ABC4D24E32 267.38 26.89 -9.51 -5.32 0
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163569 58036456 1 FN9H36C37 AB9C36D37 142.65 3.21 -8.04 -0.18 0
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163570 58036459 1 PtB2N7H25C30 AB2C7D25E30 379.61 6.09 -5.38 -4.24 0
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163571 58036461 1 BIrF2N3H9C13 ABC2D3E9F13 128.38 21.34 -9.49 -5.57 0
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163572 58036466 1 BIrN6C10H10 ABC6D10E10 189.96 17.83 -9.25 -4.66 0
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163574 58036657 1 BN3H13C14 AB3C13D14 79.75 1.93 0.0 0.0 0
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163575 58036690 1 BIrO2N4H12C20 ABC2D4E12F20 266.15 34.54 -9.15 -5.45 0
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163576 58036811 1 SO3C8H10 AB3C8D10 -109.39 5.26 -10.26 -0.62 0
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163579 58036996 1 SF4O4C10H17 AB4C4D10E17 -335.96 0.84 0.0 0.0 0
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163580 58037099 2 OC10H16 AB10C16 -116.3 1.79 -8.6 0.33 0
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163582 58042434 1 NOH6F7C9 ABC6D7E9 -373.92 5.25 -10.38 -1.29 0
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163583 58044665 1 ClOC12H17 ABC12D17 -57.27 3.97 -9.07 -0.05 0
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163584 58047643 1 O4C17H18 A4B17C18 -119.46 5.65 -8.9 -0.62 0
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163585 58047646 1 N2C9H12 A2B9C12 27.81 1.4 -8.32 0.33 0
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163586 58047802 1 ClO3F5N9H19C26 AB3C5D9E19F26 -144.18 9.01 -10.23 -1.3 0
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163587 58053085 1 S2N3O3C29H43 A2B3C3D29E43 -117.59 7.74 -8.34 -0.3 0
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163588 58053249 1 N5O5H19C27 A5B5C19D27 -41.37 7.8 -9.39 -1.57 0
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163589 58053705 1 BrNO2H8C9 ABC2D8E9 -43.57 6.66 -9.12 -0.79 0
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163590 58054594 1 F2N3O3C21H31 A2B3C3D21E31 -237.78 2.85 -9.55 0.04 0
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163591 58062982 1 N2O2F6C21H26 A2B2C6D21E26 -388.93 6.22 -9.02 -1.35 0
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163592 58063018 1 FON5C20H22 ABC5D20E22 -15.09 8.16 -9.12 -1.08 0
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163593 58073919 2 OH4C5 AB4C5 -42.04 5.74 -9.64 -1.21 0
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163594 58084144 8 SH3C4 AB3C4 210.77 3.3 -7.85 -1.01 0
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163595 58085314 1 O4C13H14 A4B13C14 -136.04 5.18 -9.61 -0.39 0
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163596 58086666 1 BrON2H13C15 ABC2D13E15 36.29 2.85 -9.04 -0.46 0
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163598 58097295 1 OS2N3H21C22 AB2C3D21E22 68.83 3.08 -8.85 -0.93 0
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163599 58097296 1 BrOSN3C14H14 ABCD3E14F14 48.03 2.46 -8.67 -1.03 0
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163600 58097298 1 ON3C11H17 AB3C11D17 2.26 2.72 -9.02 -0.23 0
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163601 58097536 1 SO4C17H36 AB4C17D36 -258.66 2.74 -10.42 0.01 0
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163603 58097730 1 N4H20C23 A4B20C23 187.97 1.57 -7.93 -1.56 0
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163604 58097771 1 OSiH24C26 ABC24D26 22.68 1.94 -9.34 -0.15 0
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163605 58097849 1 SN3O4C12H15 AB3C4D12E15 -80.01 4.85 -9.44 -0.91 -2
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163607 58097869 1 FPN6O8C24H28 ABC6D8E24F28 -357.27 5.99 -8.2 -1.14 0
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163610 58097889 1 BrNOC15H16 ABCD15E16 5.3 2.5 -9.36 -0.25 0
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163612 58097986 1 SN4C16H22 AB4C16D22 70.03 5.1 -8.4 -0.63 0
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163613 58097987 1 FN3O3H32C33 AB3C3D32E33 -50.04 5.52 -8.64 -1.49 0
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163614 58097988 1 FN3O3H24C26 AB3C3D24E26 -22.6 6.97 -8.79 -1.5 0
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163615 58097989 1 SO2N4C29H36 AB2C4D29E36 -7.33 7.82 -8.22 -0.57 0
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163616 58097991 1 SO2N4C33H34 AB2C4D33E34 25.82 5.39 -8.46 -1.37 0
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163617 58098110 1 SO2N4C25H30 AB2C4D25E30 6.61 5.31 -8.39 -0.63 0
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163619 58098219 1 ClOC12H13 ABC12D13 -48.36 2.13 -9.28 -0.21 0
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163620 58098229 2 NC5H7 AB5C7 111.65 1.97 -8.83 -0.12 0
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163622 58098231 1 NO3C12H23 AB3C12D23 -185.97 1.78 -9.79 0.96 0
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163624 58106354 1 N2H22C29 A2B22C29 121.75 4.6 -8.53 -0.49 0
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163626 58106396 1 N2H24C39 A2B24C39 182.19 4.05 -8.4 -1.18 0
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163627 58106408 1 N2H32C51 A2B32C51 233.68 4.42 -8.34 -1.23 0
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163628 58106414 1 N2H24C35 A2B24C35 145.51 3.98 -8.21 -1.39 0
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163629 58106423 1 N3H21C34 A3B21C34 180.18 4.89 -8.48 -1.28 0
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163630 58106430 1 NOBr2H15C20 ABC2D15E20 32.3 3.33 -9.38 -0.78 0
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163631 58106431 2 N2H10C15 A2B10C15 166.96 5.04 -8.58 -1.12 0
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163632 58106433 1 AuNH16C29 ABC16D29 509.57 8.26 -8.74 -2.71 0
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163634 58106463 1 OS2H32C34 AB2C32D34 68.67 2.16 -8.25 -1.32 0
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163635 58106478 2 SH10C19 AB10C19 254.73 0.09 -7.7 -2.36 0
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163636 58106480 2 FSH11C21 ABC11D21 124.85 1.51 -8.56 -1.26 0
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163638 58106484 2 OSH20C25 ABC20D25 94.5 0.62 -8.11 -0.97 0
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163639 58106490 2 SH6C10 AB6C10 164.84 1.62 -7.68 -2.28 0
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163640 58106498 1 SH14C26 AB14C26 156.43 0.33 -8.43 -1.53 0
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163643 58106509 1 SF4H10C26 AB4C10D26 -20.29 4.46 -8.73 -2.02 0
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163644 58106522 2 SH8C15 AB8C15 222.38 1.84 -7.7 -2.34 0
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163646 58106528 1 S2H22C37 A2B22C37 203.31 0.96 -8.24 -1.63 0
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163647 58106529 1 O2S2C39H42 A2B2C39D42 9.65 2.24 -8.12 -1.22 0
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163648 58106532 2 SH10C19 AB10C19 256.28 0.19 -7.73 -2.34 0
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163649 58106533 2 S2H10C19 A2B10C19 241.93 0.18 -8.22 -1.79 0
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163650 58106536 1 O2S2C33H38 A2B2C33D38 -16.01 1.93 -8.28 -1.29 0
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163651 58106538 1 SH20C29 AB20C29 126.36 0.55 -8.21 -1.39 0
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163652 58106541 2 SH10C16 AB10C16 202.04 0.28 -7.62 -2.24 0