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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19533 566929 2 N2C5H10 A2B5C10 11.75 2.72 -8.92 0.41 0
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19534 566939 2 ClON3C14H18 ABC3D14E18 -20.93 7.65 -8.16 -1.06 0
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19535 566958 1 N2O2C21H24 A2B2C21D24 -63.22 3.99 -8.93 -0.36 0
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19536 566970 1 ON2C9H16 AB2C9D16 -48.35 4.58 -10.42 0.64 0
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19537 567025 1 NO2C20H31 AB2C20D31 -103.36 4.32 -8.51 0.27 0
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19538 567032 1 SO2N3C17H29 AB2C3D17E29 -104.75 4.44 -8.94 -0.6 0
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19539 567033 1 ON2C10H12 AB2C10D12 10.24 7.51 -8.9 -0.46 0
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19540 567041 1 N2C11H20 A2B11C20 -9.85 1.5 -8.19 3.09 0
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19541 567100 1 O4C13H22 A4B13C22 -186.64 1.7 -10.23 0.4 0
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19542 567235 1 FPO2C8H18 ABC2D8E18 -246.74 3.21 -10.83 1.08 0
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19543 567236 1 FPO2C8H18 ABC2D8E18 -248.92 3.38 -10.91 1.08 0
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19544 567239 1 FN3O3C18H22 AB3C3D18E22 -124.75 4.55 -8.75 -1.07 0
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19545 567251 1 ClO2N4C15H21 AB2C4D15E21 -70.26 4.55 -9.02 -0.6 0
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19546 567260 2 ClNC9H10 ABC9D10 30.65 3.57 -8.44 -0.28 0
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19547 567309 1 B3O7C13H25 A3B7C13D25 -505.22 2.12 -10.2 1.18 0
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19548 567427 1 SO7C16H28 AB7C16D28 -341.55 6.11 -9.74 0.08 0
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19549 567499 1 SC8H14 AB8C14 -26.72 2.55 -8.46 0.72 0
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19550 567509 1 PO4C12H27 AB4C12D27 -323.17 3.69 -10.52 1.26 0
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19551 567521 1 O4C13H18 A4B13C18 -118.45 1.63 -9.39 0.9 0
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19552 567581 1 NO3C21H25 AB3C21D25 -86.67 3.36 -8.6 -0.12 0
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19553 567615 1 ClN2O3C14H19 AB2C3D14E19 -113.93 5.59 -8.67 -0.29 0
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19554 567628 1 NOSC8H17 ABCD8E17 -58.61 1.51 -8.59 0.76 0
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19555 567634 1 O9C15H26 A9B15C26 -384.34 2.53 -9.62 0.63 0
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19556 567673 1 FO2N3C17H22 AB2C3D17E22 -109.23 2.84 -9.16 -0.75 0
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19557 567677 1 ClN3O3C21H22 AB3C3D21E22 -69.18 2.89 -8.55 -0.99 0
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19558 567701 1 BrN2O2C13H17 AB2C2D13E17 -65.17 4.68 -8.83 -0.28 0
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19559 567759 1 PSO5C10H19 ABC5D10E19 -297.53 4.26 -9.98 -0.68 0
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19560 567785 1 SN2O2C13H18 AB2C2D13E18 -87.1 6.14 -8.78 -0.56 0
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19561 567801 1 SiC7H16 AB7C16 -45.12 0.39 -9.16 1.19 0
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19562 567906 1 SN2O2C13H16 AB2C2D13E16 -25.13 1.31 -8.82 -0.71 0
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19563 567907 1 O2N4C17H22 A2B4C17D22 -18.14 5.5 -8.46 -0.53 0
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19564 567911 1 NOC16H33 ABC16D33 -114.02 4.4 -9.16 1.39 0
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19565 567916 1 NOC11H23 ABC11D23 -96.19 3.71 -9.6 1.45 0
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19566 567917 1 SN2O2C14H20 AB2C2D14E20 -57.83 4.47 -8.84 -0.37 0
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19567 567918 1 SN2O2C22H22 AB2C2D22E22 -11.56 6.59 -8.48 -0.65 0
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19568 567920 2 O2C5H8 A2B5C8 -204.34 6.84 -11.07 0.02 0
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19569 567929 1 IN2O2C14H19 AB2C2D14E19 -46.53 5.03 -8.65 -1.16 0
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19570 567930 1 N3O4C15H17 A3B4C15D17 -111.46 3.88 -9.02 -0.74 0
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19571 567989 1 OSN4C12H14 ABC4D12E14 28.96 5.02 -8.45 -1.0 0
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19572 568008 1 O2C29H56 A2B29C56 -206.2 1.79 -10.22 0.2 0
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19573 568014 1 N2O5C18H20 A2B5C18D20 -169.71 4.98 -8.74 -1.52 0
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19574 568016 1 ClF3N3O3C12H17 AB3C3D3E12F17 -268.41 4.75 -9.57 -0.57 0
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19575 568020 1 ON2C29H40 AB2C29D40 -26.72 3.99 -8.59 0.32 0
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19576 568047 1 O2C11H20 A2B11C20 -113.0 2.21 -10.1 -0.03 0
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19577 568048 1 O3C9H14 A3B9C14 -141.48 2.14 -10.66 -0.35 0
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19578 568180 1 NO3C11H13 AB3C11D13 -94.27 4.31 -9.84 -0.13 0
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19579 568198 1 SC10H20 AB10C20 -41.13 2.58 -8.44 0.74 0
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19580 568201 2 O2C11H22 A2B11C22 -264.63 2.56 -9.84 1.46 0
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19581 568223 1 OSC12H16 ABC12D16 -17.73 2.81 -8.18 0.15 0
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19582 568271 1 BrO4C8H13 AB4C8D13 -193.52 3.4 -10.81 -1.04 0
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19583 568274 1 OSiC19H40 ABC19D40 -170.48 1.83 -8.99 1.34 0
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19584 568316 1 OSN2C5H10 ABC2D5E10 -43.63 3.99 -8.85 0.43 0
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19585 568318 2 NOC3H6 ABC3D6 -112.45 2.82 -10.83 0.26 0
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19586 568319 1 O5C8H14 A5B8C14 -228.26 3.89 -10.82 -0.65 0
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19587 568450 1 BrN2H9C14 AB2C9D14 107.42 5.38 -9.59 -1.05 0
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19588 568527 1 O4C9H18 A4B9C18 -194.11 3.13 -9.88 0.47 0
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19589 568581 1 NO2H5C8 AB2C5D8 6.45 5.79 -10.4 -1.56 0
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19590 568619 1 GeC9H18 AB9C18 -21.31 0.6 -8.86 1.76 0
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19591 568623 1 SN3H15C16 AB3C15D16 101.35 4.03 -8.76 -0.59 0
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19592 568663 1 ON4H7C9 AB4C7D9 87.88 7.8 0.0 0.0 1
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19593 568664 1 N3O6H13C16 A3B6C13D16 -72.22 5.72 -9.87 -2.17 0
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19594 568681 2 NOH5C7 ABC5D7 77.1 0.13 -9.16 -1.06 0
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19595 568708 1 O2N3C15H19 A2B3C15D19 -75.05 4.02 -9.48 -0.05 0
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19596 568709 1 O3N7H13C16 A3B7C13D16 122.06 3.87 -9.64 -1.5 0
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19597 568712 1 N2O2H16C17 A2B2C16D17 -6.51 4.21 -9.37 -0.94 0
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19598 568776 2 O3H7C10 A3B7C10 -141.42 2.09 -9.84 -1.42 0
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19599 568777 1 NO3H13C17 AB3C13D17 -23.82 1.73 -8.86 -1.35 0
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19600 568781 1 N3C11H13 A3B11C13 63.35 7.0 -9.48 -0.39 0
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19601 568854 1 O2C15H20 A2B15C20 -79.39 1.43 -9.34 0.39 0
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19602 568877 1 SF3N3H14C18 AB3C3D14E18 -56.08 9.1 -9.1 -0.99 0
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19603 568879 1 O3C18H32 A3B18C32 -133.08 1.58 -10.0 0.52 0
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19604 568886 1 ON5H13C16 AB5C13D16 91.89 3.39 -9.89 -1.47 0
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19605 568898 1 SO4C22H36 AB4C22D36 -209.21 5.04 -9.48 0.28 0
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19606 568899 1 BrO2C13H17 AB2C13D17 -89.63 1.78 -9.51 -0.2 0
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19607 568906 1 NO2H15C17 AB2C15D17 -35.03 2.62 -9.74 -0.36 0
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19608 568926 1 NPH2F4 ABC2D4 -305.43 3.26 -10.94 0.52 0
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19609 568972 2 NC4H4 AB4C4 81.15 6.04 -10.66 -0.97 0
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19610 568973 1 SN2O2C8H8 AB2C2D8E8 -14.48 0.4 -11.29 -1.56 0
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19611 568985 1 S2C13H18 A2B13C18 1.28 0.58 -8.55 -0.06 0
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19612 568990 1 ClNO2H14C17 ABC2D14E17 -45.1 4.09 -9.74 -0.66 0
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19613 568991 1 NOF3C11H12 ABC3D11E12 -178.63 4.91 -9.6 -0.11 0
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19614 568993 1 BrClNOC5H7 ABCDE5F7 -53.67 6.08 -10.22 -0.95 0
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19615 569012 1 O2C23H38 A2B23C38 -139.04 1.73 -9.52 0.25 0
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19616 569019 1 ClNO3H14C22 ABC3D14E22 -34.75 6.85 -9.14 -1.3 0
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19617 569051 1 NOSH7C9 ABCD7E9 27.46 2.76 -8.7 -0.71 0
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19618 569070 1 NOSH9C10 ABCD9E10 17.67 3.49 -8.67 -0.6 0
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19619 569182 1 NO7C15H19 AB7C15D19 -291.48 1.82 -10.1 -0.55 0
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19620 569185 2 O3C8H9 A3B8C9 -217.68 3.68 -10.19 -0.89 0
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19621 569186 1 O5C14H18 A5B14C18 -214.01 3.67 -10.03 -0.68 0
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19622 569253 1 NO2C18H29 AB2C18D29 -118.13 2.91 -9.46 0.24 0
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19623 569263 1 O3N4C10H10 A3B4C10D10 19.69 6.16 -10.34 -1.09 0
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19624 569264 1 NOS2C15H21 ABC2D15E21 -34.07 4.98 -8.64 -0.5 0
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19625 569326 1 N2O2H16C17 A2B2C16D17 27.94 5.54 -8.6 -0.67 0
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19626 569367 1 NO3H13C15 AB3C13D15 -78.09 1.8 -8.69 -0.78 0
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19627 569372 1 NSO4C17H17 ABC4D17E17 -143.55 9.29 -9.02 -1.19 0
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19628 569376 1 NO2C13H17 AB2C13D17 -78.47 5.78 -9.42 -0.18 0
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19629 569393 1 NO4F5H10C13 AB4C5D10E13 -385.42 5.42 -10.57 -0.96 0
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19630 569402 1 ON2H8C10 AB2C8D10 33.44 3.77 -9.82 -0.72 0
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19631 569408 1 NCl2O2S2H9C17 AB2C2D2E9F17 5.39 3.44 -9.05 -1.72 0
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19632 569428 1 ON2H20C21 AB2C20D21 34.14 1.64 -9.08 -0.51 0