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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139513 52544802 2 NSO2C12H13 ABC2D12E13 -107.1 1.97 -8.74 -1.02 0
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139514 52545048 1 SN4O4C22H22 AB4C4D22E22 -50.11 7.2 -9.04 -0.74 0
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139515 52545512 1 S2N3O4C23H23 A2B3C4D23E23 -76.62 3.98 -9.18 -1.29 0
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139516 52545513 1 O2S3N4H12C20 A2B3C4D12E20 94.34 5.62 -8.86 -1.3 0
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139517 52546181 1 OSN2C17H20 ABC2D17E20 -15.59 4.0 -8.71 -0.3 0
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139518 52547618 1 OS2N4C19H22 AB2C4D19E22 25.01 4.14 -8.62 -1.0 0
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139519 52547972 1 FS2N3O3H18C21 AB2C3D3E18F21 -67.88 2.79 -8.82 -0.86 0
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139520 52548129 1 N2O3H22C25 A2B3C22D25 -47.1 7.42 -8.66 -1.77 0
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139521 52548130 1 SN2O3C25H32 AB2C3D25E32 -92.95 5.43 -8.9 -0.22 0
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139522 52548131 1 SN2O3C24H24 AB2C3D24E24 -32.22 8.86 -8.72 -0.75 0
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139523 52548547 1 BrFNS2C12H15 ABCD2E12F15 -20.49 4.44 -8.58 -0.71 0
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139524 52548693 1 F3N3O4C23H24 A3B3C4D23E24 -271.22 9.04 -8.57 -0.55 0
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139525 52549031 1 ClN2O3C20H25 AB2C3D20E25 -98.1 6.21 -9.2 -0.4 0
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139526 52549568 1 SN2O5C14H14 AB2C5D14E14 -90.38 9.12 -9.46 -1.42 0
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139527 52549752 1 N2O5C22H22 A2B5C22D22 -130.22 1.42 -8.37 -1.25 0
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139528 52549778 1 S2O3N6C21H26 A2B3C6D21E26 -36.32 11.7 -8.71 -0.98 0
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139529 52550114 1 SN3O4H23C24 AB3C4D23E24 -107.59 1.84 -9.06 -1.18 0
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139530 52550163 1 ClSN2O5C15H19 ABC2D5E15F19 -132.47 3.73 -10.09 -1.94 0
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139531 52550535 1 N2O2C15H16 A2B2C15D16 -0.95 4.61 -9.16 -0.68 0
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139532 52550822 1 SO2N4C16H16 AB2C4D16E16 51.28 6.07 -9.01 -0.78 0
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139533 52551002 1 O2N3C25H25 A2B3C25D25 -26.28 1.55 -9.27 -1.16 0
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139534 52551058 1 OSN4C21H30 ABC4D21E30 7.19 7.13 -8.78 0.01 0
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139535 52551398 1 ON4C19H22 AB4C19D22 18.1 7.42 -8.56 -0.21 0
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139536 52551458 1 N3O3C23H25 A3B3C23D25 -44.21 7.0 -9.01 -0.64 0
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139537 52551593 1 NCl2O3C10H11 AB2C3D10E11 -84.12 0.67 -9.36 -0.69 0
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139538 52551694 1 ClOS2N3H14C19 ABC2D3E14F19 58.12 8.67 -9.13 -0.97 0
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139539 52551695 1 ClO2N4H17C23 AB2C4D17E23 38.97 9.29 -9.04 -0.9 0
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139540 52551696 1 ClOSN5H12C20 ABCD5E12F20 127.51 12.79 -9.16 -1.37 0
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139541 52552043 1 SO2N5H17C22 AB2C5D17E22 90.88 3.17 -9.18 -1.19 1
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139542 52552709 1 ClSO3N4C21H28 ABC3D4E21F28 -82.42 13.29 0.0 0.0 0
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139543 52552936 1 SO2N4H18C19 AB2C4D18E19 -11.95 1.41 -8.79 -1.11 0
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139544 52553001 1 SN2O2C18H18 AB2C2D18E18 -9.13 4.07 -9.14 -1.44 0
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139545 52553277 1 SN2O5H16C18 AB2C5D16E18 -85.5 1.31 -9.36 -1.56 0
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139546 52553449 1 O3N4H24C26 A3B4C24D26 -22.77 7.07 -9.01 -0.81 0
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139547 52553813 1 N2S2O3C23H30 A2B2C3D23E30 -97.67 3.98 -8.98 -1.05 0
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139548 52554750 1 N3O5C26H35 A3B5C26D35 -205.01 3.95 -7.87 -0.46 0
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139549 52554968 1 SO3N4C25H28 AB3C4D25E28 -68.35 3.34 -9.28 -0.78 -1
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139550 52555096 1 SCl2N2O4H15C16 AB2C2D4E15F16 -60.23 2.84 0.0 0.0 0
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139551 52555131 1 Cl2N3O4H11C21 A2B3C4D11E21 18.83 9.98 -9.46 -1.9 0
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139552 52555731 1 ClON2S2H13C16 ABC2D2E13F16 48.24 4.68 -9.3 -0.77 0
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139553 52556057 1 F2N3O3C19H19 A2B3C3D19E19 -180.42 6.1 -8.41 -1.0 0
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139554 52556422 4 NOH5C6 ABC5D6 -94.19 9.21 -8.66 -0.83 0
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139555 52556628 1 FON2C18H23 ABC2D18E23 -82.65 4.79 -8.72 -0.62 0
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139556 52557536 1 S2N3O4H13C14 A2B3C4D13E14 -77.85 3.21 -8.93 -1.37 0
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139557 52557537 1 FS2N3O5H14C16 AB2C3D5E14F16 -129.89 2.81 -9.56 -1.57 0
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139558 52557540 1 O2S2N4C21H24 A2B2C4D21E24 -23.22 6.11 -8.61 -1.0 0
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139559 52557608 1 ClSN3O3C20H20 ABC3D3E20F20 -68.98 8.11 -9.36 -1.09 0
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139560 52557609 1 ClOSN5H16C19 ABCD5E16F19 113.5 5.07 -9.11 -1.01 0
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139561 52557610 1 SO2N5C20H27 AB2C5D20E27 25.57 7.5 -9.05 -0.79 0
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139562 52557868 1 SO2N3C13H13 AB2C3D13E13 30.38 1.65 -9.18 -0.94 0
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139563 52558082 1 O5C17H22 A5B17C22 -189.8 3.34 -8.89 -0.77 0
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139564 52558391 1 FSN2O3H15C18 ABC2D3E15F18 -82.29 1.84 -9.1 -1.49 0
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139565 52558392 1 SN3O5H15C20 AB3C5D15E20 -95.92 4.35 -8.92 -1.61 0
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139566 52558485 1 S2N3C16H19 A2B3C16D19 60.25 3.13 -8.49 -0.57 0
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139567 52559223 1 F2O2H14C17 A2B2C14D17 -120.29 1.66 -9.57 -0.45 0
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139568 52559224 1 FO2H17C18 AB2C17D18 -85.3 3.04 -9.07 -0.3 0
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139569 52559225 1 BrFNSO4C17H17 ABCDE4F17G17 -176.38 2.06 -9.73 -0.86 0
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139570 52559226 1 BrFNSO4C17H17 ABCDE4F17G17 -176.74 4.43 -9.8 -0.66 0
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139571 52560058 1 SN2O6C23H26 AB2C6D23E26 -194.98 7.82 -9.44 -0.74 0
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139572 52560269 1 N2O5C17H32 A2B5C17D32 -244.58 2.69 -9.68 1.02 0
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139573 52560776 1 ClSN2O4C21H29 ABC2D4E21F29 -188.19 4.43 -9.48 -0.28 0
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139574 52561066 1 ON4C20H32 AB4C20D32 -48.96 4.07 -9.18 0.78 0
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139575 52561316 1 ClNO2C16H22 ABC2D16E22 -90.49 1.01 -8.83 -0.18 0
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139576 52561317 1 ClNO2C14H20 ABC2D14E20 -85.45 1.04 -8.95 -0.2 0
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139577 52561318 1 ClNO2C14H20 ABC2D14E20 -85.49 1.2 -8.92 -0.21 0
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139578 52561439 1 SF3O5H11C16 AB3C5D11E16 -305.82 6.08 -9.47 -1.59 0
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139579 52561453 1 NS2F3O3H12C13 AB2C3D3E12F13 -222.46 6.93 -9.57 -1.06 0
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139580 52561858 1 OSF3N4C14H15 ABC3D4E14F15 -116.68 4.34 -9.4 -0.96 0
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139581 52562415 1 NSO7C18H19 ABC7D18E19 -230.63 6.13 -8.95 -0.89 0
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139582 52563914 1 SF2N3O3C24H25 AB2C3D3E24F25 -157.71 5.1 -9.07 -0.71 0
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139583 52564533 1 ClNSO4C22H26 ABCD4E22F26 -120.9 2.77 -8.84 -0.9 0
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139584 52566248 1 ON4C19H28 AB4C19D28 -16.06 10.42 -8.98 0.44 0
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139585 52566497 1 SN2O5C24H30 AB2C5D24E30 -142.65 5.98 -9.26 -0.59 0
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139586 52566498 1 SN2O5C24H30 AB2C5D24E30 -144.45 7.89 -9.34 -0.72 0
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139587 52566499 1 SN2O2C22H24 AB2C2D22E24 -17.15 5.88 -8.82 -0.66 0
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139588 52566500 1 SN2O2C22H24 AB2C2D22E24 -22.14 4.16 -8.62 -0.43 0
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139589 52566657 1 BrN3O3C14H16 AB3C3D14E16 -56.61 1.95 -8.94 -0.85 0
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139590 52566861 1 SN2O2C14H18 AB2C2D14E18 -13.71 1.6 -9.04 -0.63 0
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139591 52566933 1 SN2F3O3C17H17 AB2C3D3E17F17 -238.29 6.98 -9.5 -0.99 0
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139592 52566934 1 ClNF3O3H15C17 ABC3D3E15F17 -245.67 2.06 -8.76 -0.56 0
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139593 52567026 1 N4O5C25H30 A4B5C25D30 -94.12 9.22 -9.01 -1.04 0
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139594 52567062 1 ClOS2N3H20C21 ABC2D3E20F21 38.85 7.92 -8.67 -1.22 0
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139595 52567274 1 SN3O4C23H31 AB3C4D23E31 -137.53 6.3 -8.68 -0.47 0
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139596 52567660 1 SO6C19H20 AB6C19D20 -192.33 2.74 -8.72 -1.2 0
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139597 52567704 1 BrNSO4C19H22 ABCD4E19F22 -120.38 5.38 -8.52 -0.46 0
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139598 52567947 1 ClSO3N5C22H24 ABC3D5E22F24 -27.25 10.64 -9.28 -0.89 0
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139599 52567951 1 S2O3N4C14H18 A2B3C4D14E18 -76.37 9.05 -9.42 -1.39 0
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139600 52568435 1 N2O4C19H20 A2B4C19D20 -53.79 3.59 -9.2 -1.11 0
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139601 52568436 1 N2O4C19H20 A2B4C19D20 -52.44 8.91 -9.27 -1.18 0
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139602 52568437 1 N2O4C19H20 A2B4C19D20 -50.59 11.29 -9.13 -1.02 0
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139603 52569294 1 ON4C14H24 AB4C14D24 -22.68 2.86 -8.87 0.08 0
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139604 52569878 1 ClFOSN3H11C16 ABCDE3F11G16 -14.31 3.17 -8.34 -1.03 0
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139605 52569977 1 SN3O3C21H21 AB3C3D21E21 -75.09 4.97 -8.91 -0.84 1
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139606 52570315 1 OCl2N6C20H27 AB2C6D20E27 16.89 4.67 0.0 0.0 0
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139607 52570431 1 SO2N3C20H29 AB2C3D20E29 -92.19 7.78 -8.98 -0.48 0
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139608 52570501 1 N3O4C22H27 A3B4C22D27 -158.03 5.47 -9.29 -0.63 0
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139609 52570608 1 ClN3O3C21H22 AB3C3D21E22 -52.08 3.28 -8.16 -0.79 0
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139610 52570609 1 OF3N4H17C18 AB3C4D17E18 -108.54 5.81 -9.23 -1.18 0
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139611 52570811 1 NS2O4C15H17 AB2C4D15E17 -133.18 7.29 -8.32 -0.79 0
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139612 52570924 1 N2O5C27H28 A2B5C27D28 -119.82 8.36 -8.31 -0.45 0