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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128597 51051575 1 SiO3C22H30 AB3C22D30 -128.15 1.33 -9.03 0.09 0
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128598 51051576 1 SiO4C25H32 AB4C25D32 -150.58 1.83 -9.05 -0.69 0
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128599 51051577 1 FSN3O3H20C21 ABC3D3E20F21 -103.37 13.07 -8.39 -1.76 0
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128600 51051578 1 N3O4C21H23 A3B4C21D23 -128.45 3.99 -9.34 -0.85 0
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128601 51051650 2 ClNC3H8 ABC3D8 -84.64 7.36 -9.37 1.72 0
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128602 51051651 1 ClN2O2C11H23 AB2C2D11E23 -163.69 2.88 -8.69 1.05 0
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128603 51051671 1 N4O4C15H28 A4B4C15D28 -202.92 1.97 -9.5 0.2 0
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128604 51051749 1 N2S3H14C16 A2B3C14D16 101.75 3.76 -8.75 -0.92 0
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128605 51051854 1 ON3H13C16 AB3C13D16 39.19 3.64 -8.85 -1.3 0
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128606 51051937 1 ClN2O2C9H13 AB2C2D9E13 -97.61 2.78 -9.01 -0.32 0
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128607 51051938 1 N5O5C12H17 A5B5C12D17 -51.25 2.46 -8.53 -1.27 0
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128608 51051939 1 ClN2O2C12H17 AB2C2D12E17 -98.9 5.13 -8.15 0.0 0
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128609 51051946 1 OCl2N2C14H16 AB2C2D14E16 -25.34 3.36 -9.27 -0.41 0
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128610 51051980 2 ClN2C6H9 AB2C6D9 -11.27 8.59 -9.44 -0.67 0
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128611 51052142 1 O2N4C21H22 A2B4C21D22 -11.07 1.74 -8.41 -0.12 0
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128612 51052156 2 NO3H10C11 AB3C10D11 -176.24 13.72 -8.68 -1.1 0
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128613 51052235 1 N3O5H19C21 A3B5C19D21 -120.39 15.21 -8.75 -1.18 0
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128614 51052237 2 NO3H10C11 AB3C10D11 -178.24 10.07 -8.7 -0.98 0
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128615 51052291 1 N2O3C12H12 A2B3C12D12 -88.37 10.15 -9.01 -0.86 0
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128616 51052292 1 N2O3C17H22 A2B3C17D22 -109.71 4.9 -8.65 -0.35 0
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128617 51052302 1 SN2O3C9H12 AB2C3D9E12 -116.33 6.89 -9.8 -0.96 0
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128618 51052303 1 N2O3C13H14 A2B3C13D14 -95.1 5.97 -8.9 -0.89 0
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128619 51052304 1 O3N5H17C19 A3B5C17D19 -51.33 5.96 -9.06 -0.68 0
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128620 51052305 1 O2N4C19H24 A2B4C19D24 10.27 7.65 -8.06 -0.52 0
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128621 51052306 1 O3N5C21H29 A3B5C21D29 -109.45 4.15 -8.46 -0.68 0
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128622 51052307 1 N2O7C28H32 A2B7C28D32 -192.34 7.29 -8.25 -0.42 0
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128623 51052317 1 N3O4C21H23 A3B4C21D23 -131.91 5.17 -9.13 -0.5 0
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128624 51052392 1 O2S2N4C13H18 A2B2C4D13E18 -64.34 6.55 -9.05 -0.89 0
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128625 51052424 1 BrN2O3H25C34 AB2C3D25E34 20.51 6.97 -8.48 -0.76 0
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128626 51052425 1 N3O6C32H37 A3B6C32D37 -163.08 8.19 -8.44 -1.06 0
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128627 51052426 1 BrF3N3O3H19C28 AB3C3D3E19F28 -178.22 7.53 -9.03 -0.86 0
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128628 51052427 1 NO6H33C34 AB6C33D34 -125.81 6.79 -7.85 -1.22 0
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128629 51052428 1 NO5H29C36 AB5C29D36 -55.59 5.24 -7.95 -1.07 0
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128630 51052440 1 FNCl2O3H20C33 ABC2D3E20F33 -30.65 3.46 -8.35 -1.43 0
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128631 51052598 1 O2N3C17H25 A2B3C17D25 -26.29 6.48 -7.96 -0.56 0
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128632 51052689 2 N2O2C9H11 A2B2C9D11 -93.81 7.0 -8.95 -1.04 0
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128633 51052690 1 FSN2O3H11C13 ABC2D3E11F13 -125.91 6.02 -9.8 -1.94 0
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128634 51052743 1 O3N4C18H22 A3B4C18D22 -59.98 8.33 -8.97 -0.66 0
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128635 51052803 1 N3O5C22H27 A3B5C22D27 -129.22 6.09 -8.15 -0.71 0
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128636 51052811 1 SO2N3H17C18 AB2C3D17E18 26.3 6.82 -8.87 -0.67 0
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128637 51052828 1 SO3N4C19H20 AB3C4D19E20 -15.12 2.42 -8.68 -1.24 0
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128638 51052844 1 SN2F3O3H15C20 AB2C3D3E15F20 -209.56 5.28 -8.86 -0.67 0
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128639 51052949 1 SCl2N2O3H16C20 AB2C2D3E16F20 -74.53 4.56 -8.74 -0.62 0
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128640 51052999 2 ON2C9H15 AB2C9D15 -33.86 7.33 -7.72 -0.41 0
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128641 51053000 1 N4O5C20H20 A4B5C20D20 -97.96 3.14 -8.6 -1.29 0
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128642 51053001 1 N2S2O3C13H16 A2B2C3D13E16 -90.2 5.1 -8.64 -0.66 0
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128643 51053002 1 FSN2O3H17C20 ABC2D3E17F20 -100.9 2.94 -8.61 -0.5 0
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128644 51053003 2 N2O2C9H11 A2B2C9D11 -93.29 3.37 -8.85 -0.85 0
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128645 51053004 1 N3O5C17H19 A3B5C17D19 -156.12 8.49 -9.2 -1.46 0
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128646 51053104 1 SN4O4C22H28 AB4C4D22E28 -116.29 6.07 -9.48 -0.97 0
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128647 51053172 1 SN3O3C18H21 AB3C3D18E21 -21.02 5.25 -8.53 -0.61 0
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128648 51053173 1 N3O3C16H23 A3B3C16D23 -134.22 8.45 -8.62 -1.05 1
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128649 51053217 1 N3O3C17H18 A3B3C17D18 -51.95 2.73 0.0 0.0 0
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128650 51053218 1 ClO4N5C19H20 AB4C5D19E20 -56.24 7.49 -9.47 -1.02 0
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128651 51053219 1 SN3O4H17C19 AB3C4D17E19 -72.17 6.63 -9.4 -1.45 0
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128652 51053347 1 OS2N4C15H16 AB2C4D15E16 50.14 4.01 -9.21 -1.61 0
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128653 51053348 1 ON4C16H18 AB4C16D18 20.89 5.8 -8.69 -0.23 0
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128654 51053349 1 FON4H17C19 ABC4D17E19 24.66 3.78 -8.98 -1.27 0
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128655 51053367 1 FSN3O4C17H18 ABC3D4E17F18 -152.65 8.41 -8.85 -1.28 0
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128656 51053406 1 N2O4C15H16 A2B4C15D16 -103.04 4.46 -8.56 -0.89 0
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128657 51053416 1 ClO2N4C18H23 AB2C4D18E23 -56.1 1.41 -8.8 -0.44 0
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128658 51053534 1 FN3O5C16H16 AB3C5D16E16 -194.21 9.39 -9.41 -1.25 0
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128659 51053617 1 O2N5H23C25 A2B5C23D25 43.74 7.42 -9.56 -1.14 0
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128660 51053639 1 SO2N5H21C22 AB2C5D21E22 59.88 6.0 -8.79 -1.19 0
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128661 51053703 1 N2O6C19H22 A2B6C19D22 -176.6 7.05 -8.66 -0.78 0
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128662 51053746 1 N4O4C19H24 A4B4C19D24 -98.1 5.82 -8.74 -1.1 0
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128663 51053747 1 FNO3C20H20 ABC3D20E20 -91.15 4.15 -8.38 -0.76 0
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128664 51053748 1 BrSN2O3H17C20 ABC2D3E17F20 -51.23 2.32 -8.72 -0.74 0
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128665 51053749 1 SN5C21H27 AB5C21D27 89.33 5.33 -8.68 -0.81 0
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128666 51053750 1 FSN2O3C17H19 ABC2D3E17F19 -151.29 4.64 -9.58 -1.53 0
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128667 51053751 1 Cl2N2O5C18H18 A2B2C5D18E18 -153.07 6.71 -9.05 -0.93 0
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128668 51053752 1 OSN3F4H13C15 ABC3D4E13F15 -174.12 5.42 -9.0 -1.14 0
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128669 51053753 1 SO2N5C13H13 AB2C5D13E13 -18.57 6.77 -9.11 -1.85 0
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128670 51053754 1 FN3O3H14C19 AB3C3D14E19 -90.5 7.97 -9.08 -1.37 0
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128671 51053755 1 O3N5C24H25 A3B5C24D25 -32.41 6.48 -8.96 -1.16 0
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128672 51053756 1 BrN3O3H16C19 AB3C3D16E19 -26.54 9.51 -9.13 -1.21 0
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128673 51053757 1 N3O3C20H27 A3B3C20D27 -70.09 8.96 -8.59 -0.49 0
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128674 51053758 1 SO2N4C12H14 AB2C4D12E14 24.61 4.83 -9.01 -0.76 0
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128675 51053759 1 FN2S2O3C16H17 AB2C2D3E16F17 -130.0 3.67 -8.65 -1.82 0
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128676 51053760 2 NO2C9H9 AB2C9D9 -137.7 9.6 -8.09 -1.23 0
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128677 51053872 1 FSN3O3H20C21 ABC3D3E20F21 -84.79 6.49 -8.32 -0.31 0
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128678 51053873 1 OF2N5H15C20 AB2C5D15E20 5.13 4.32 -9.38 -1.31 0
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128679 51053874 1 SN3O3C18H21 AB3C3D18E21 -60.05 6.4 -8.85 -0.98 0
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128680 51053896 1 SN3O4C13H13 AB3C4D13E13 -101.76 7.77 -9.44 -1.5 0
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128681 51053903 1 ClO2N3C15H16 AB2C3D15E16 -42.48 3.5 -9.46 -1.09 0
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128682 51053904 1 N3O6C22H25 A3B6C22D25 -165.94 3.18 -8.61 -1.07 0
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128683 51053905 2 ON2C10H10 AB2C10D10 11.59 3.99 -9.33 -0.72 0
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128684 51053971 1 ClN2O5C19H21 AB2C5D19E21 -144.27 4.18 -9.33 -0.7 0
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128685 51053972 1 N3O4C19H27 A3B4C19D27 -173.49 5.54 -9.46 -0.89 0
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128686 51053973 1 ClSN6H13C15 ABC6D13E15 145.71 8.14 -9.36 -1.31 0
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128687 51054031 1 SN3O4H15C16 AB3C4D15E16 -67.62 5.05 -8.56 -1.02 0
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128688 51054123 1 O3N5C24H27 A3B5C24D27 -20.93 8.63 -8.66 -1.18 0
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128689 51054134 1 OSN3C14H19 ABC3D14E19 -9.02 3.33 -9.15 -1.33 0
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128690 51054135 1 OS2N5C18H23 AB2C5D18E23 32.32 5.2 -9.3 -1.91 0
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128691 51054222 1 SO2N4C18H18 AB2C4D18E18 -9.07 4.71 -9.19 -1.67 0
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128692 51054245 1 NSO5C19H21 ABC5D19E21 -127.33 5.66 -8.87 -0.61 0
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128693 51054267 1 Cl2O2N3H9C11 A2B2C3D9E11 -3.63 5.3 -9.82 -1.02 0
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128694 51054339 1 SO2N4C20H22 AB2C4D20E22 -18.81 5.96 -8.32 -1.52 0
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128695 51054358 1 OSN6C17H20 ABC6D17E20 43.74 5.11 -9.25 -1.15 0
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128696 51054469 1 SO2N3C14H19 AB2C3D14E19 -36.37 3.14 -9.15 -1.33 0