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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37553 8022178 1 N2O3H18C25 A2B3C18D25 -13.02 3.01 -8.8 -1.53 0
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37554 8022190 1 N2O4H22C23 A2B4C22D23 -115.83 2.57 -8.54 -1.26 0
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37555 8022194 1 N3O3H21C23 A3B3C21D23 -28.52 6.09 -8.99 -1.69 0
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37556 8022198 1 BrNO4C19H20 ABC4D19E20 -132.01 4.72 -8.89 -0.94 0
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37557 8022201 1 BrNO2C18H20 ABC2D18E20 -52.48 3.8 -8.84 -0.91 0
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37558 8022219 1 BrNO2H16C19 ABC2D16E19 -15.63 2.28 -8.94 -0.95 0
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37559 8022220 1 BrNSO2H16C18 ABCD2E16F18 -6.06 2.78 -8.88 -0.92 0
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37560 8022228 1 BrSO2H11C16 ABC2D11E16 7.54 5.8 -8.7 -1.27 0
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37561 8022249 1 ClN2O5H15C18 AB2C5D15E18 -84.97 10.64 -9.33 -1.48 0
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37562 8022250 1 ClN2O5H15C18 AB2C5D15E18 -84.53 9.87 -9.71 -1.44 0
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37563 8022257 1 ClNO5C20H20 ABC5D20E20 -177.74 3.31 -9.07 -0.82 0
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37564 8022261 1 ClN2O3H13C14 AB2C3D13E14 -73.47 7.3 -9.99 -1.38 0
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37565 8022263 1 ClFNO3H15C18 ABCD3E15F18 -126.68 4.1 -8.73 -1.21 0
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37566 8022265 1 ClO4H15C18 AB4C15D18 -100.81 3.65 -9.4 -0.66 0
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37567 8022267 1 Cl2O3H12C17 A2B3C12D17 -66.26 2.16 -9.74 -0.77 0
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37568 8022274 1 ClO5H15C19 AB5C15D19 -132.74 4.02 -9.08 -0.78 0
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37569 8022277 1 ClSN2O4H19C20 ABC2D4E19F20 -134.59 3.46 -8.51 -0.99 0
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37570 8022280 1 ClN2O4C17H19 AB2C4D17E19 -141.76 4.46 -9.29 -1.05 0
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37571 8022290 1 ClNO3C18H18 ABC3D18E18 -83.66 4.17 -8.73 -0.71 0
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37572 8022298 1 ClNO3C20H20 ABC3D20E20 -76.61 3.63 -9.41 -0.88 0
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37573 8022301 1 ClNO3C17H20 ABC3D17E20 -121.24 6.96 -9.84 -1.16 0
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37574 8022390 1 N5H17C19 A5B17C19 160.2 2.22 -9.19 -1.14 0
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37575 8022392 1 OSN3C15H27 ABC3D15E27 -60.75 7.57 -8.52 -0.08 0
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37576 8022395 1 SO2N3C18H29 AB2C3D18E29 -101.98 4.84 -8.78 -0.23 2
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37577 8022399 1 N2C13H22 A2B13C22 107.69 23.71 -4.27 -1.46 1
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37578 8022405 1 NO2C10H14 AB2C10D14 -50.78 3.67 0.0 0.0 0
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37579 8022406 1 OC8H14 AB8C14 -49.23 5.32 -9.79 -0.1 -1
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37580 8022408 1 NO5C12H12 AB5C12D12 -131.56 7.38 0.0 0.0 -1
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37581 8022447 1 O5C17H17 A5B17C17 -131.67 5.0 0.0 0.0 0
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37582 8022448 1 O5C17H18 A5B17C18 -182.11 9.4 -9.3 -1.21 0
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37583 8022450 1 O6C13H14 A6B13C14 -251.98 6.43 -9.7 -0.84 -1
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37584 8022457 1 N2O6C17H21 A2B6C17D21 -200.82 4.22 0.0 0.0 0
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37585 8022458 1 N2O6C17H22 A2B6C17D22 -216.95 6.56 -10.08 -0.15 1
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37586 8022481 1 ClFNC15H16 ABCD15E16 9.83 5.57 0.0 0.0 1
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37587 8022500 1 NSO3C12H18 ABC3D12E18 -86.45 5.96 0.0 0.0 0
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37588 8022503 1 NSO4C13H19 ABC4D13E19 -138.53 6.97 -8.34 0.2 -1
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37589 8022510 1 NO5H8C12 AB5C8D12 -109.1 7.9 0.0 0.0 0
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37590 8022513 1 ON2C9H10 AB2C9D10 -11.28 2.98 -8.86 -0.22 1
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37591 8022514 1 ON2C9H11 AB2C9D11 4.06 3.93 0.0 0.0 1
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37592 8022522 1 BrON2C8H8 ABC2D8E8 3.9 3.83 0.0 0.0 0
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37593 8022525 1 ON2C11H14 AB2C11D14 -27.07 2.87 -8.86 -0.15 0
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37594 8022527 1 ON2C11H14 AB2C11D14 -25.04 4.03 -8.81 -0.16 0
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37595 8022529 1 NO3C14H19 AB3C14D19 -112.57 5.87 -9.12 -0.14 1
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37596 8022532 1 N2O3C15H23 A2B3C15D23 -66.72 13.09 0.0 0.0 1
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37597 8022534 1 N2O3C15H23 A2B3C15D23 -77.79 8.5 0.0 0.0 0
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37598 8022536 1 NO3C13H17 AB3C13D17 -119.83 7.1 -9.3 -0.3 0
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37599 8022539 1 NO3C13H17 AB3C13D17 -116.64 4.25 -9.28 -0.24 0
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37600 8022546 1 N3C20H23 A3B20C23 39.08 7.12 -8.24 -0.84 0
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37601 8022549 1 ON4C10H22 AB4C10D22 -43.67 2.43 -8.85 1.39 0
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37602 8022551 1 FSN2O5C15H19 ABC2D5E15F19 -250.7 4.24 -10.0 -1.0 0
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37603 8022565 1 FSN2O5C15H19 ABC2D5E15F19 -247.75 5.56 -10.35 -1.29 -1
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37604 8022576 1 SN2O6C16H21 AB2C6D16E21 -178.37 12.53 0.0 0.0 0
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37605 8022577 1 SN2O6C16H22 AB2C6D16E22 -241.0 13.14 -9.81 -0.86 0
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37606 8022587 1 SN2O6C17H22 AB2C6D17E22 -238.89 0.63 -9.62 -1.17 -1
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37607 8022588 1 SN2O6C17H21 AB2C6D17E21 -182.22 1.66 0.0 0.0 -1
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37608 8022592 1 NSO5C14H16 ABC5D14E16 -162.53 5.25 0.0 0.0 0
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37609 8022593 1 NSO5C14H17 ABC5D14E17 -184.96 9.56 -10.19 -1.58 0
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37610 8022597 1 SN2O6C17H22 AB2C6D17E22 -236.75 8.86 -10.07 -1.62 0
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37611 8022601 1 SN2O6C19H26 AB2C6D19E26 -248.63 10.57 -9.83 -1.53 -1
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37612 8022602 1 SN2O5C15H19 AB2C5D15E19 -141.18 3.48 0.0 0.0 0
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37613 8022605 1 SN2O5C15H20 AB2C5D15E20 -192.52 12.41 -9.96 -1.08 -1
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37614 8022612 1 SN2O5C18H25 AB2C5D18E25 -193.49 6.79 0.0 0.0 -1
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37615 8022618 1 SN2O5C21H23 AB2C5D21E23 -139.89 9.09 0.0 0.0 0
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37616 8022619 1 SN2O5C21H24 AB2C5D21E24 -171.76 6.57 -9.74 -0.73 -1
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37617 8022639 1 SN2O6C18H19 AB2C6D18E19 -195.91 9.62 0.0 0.0 0
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37618 8022642 2 NO3H10C11 AB3C10D11 -185.64 8.25 -9.0 -0.98 -1
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37619 8022647 1 N2O6C19H19 A2B6C19D19 -187.17 7.19 0.0 0.0 0
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37620 8022653 1 ClN2O2S2C11H11 AB2C2D2E11F11 -45.16 4.36 -8.87 -0.65 0
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37621 8022661 2 NOSC6H7 ABCD6E7 -48.57 3.59 -8.79 -0.43 0
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37622 8022662 2 NOSC6H7 ABCD6E7 -47.82 5.08 -8.74 -0.17 0
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37623 8022666 1 N2S2O4C13H14 A2B2C4D13E14 -110.96 4.44 -8.8 -0.41 0
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37624 8022669 1 BrN2O2S2C11H11 AB2C2D2E11F11 -34.85 4.76 -8.97 -0.72 0
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37625 8022674 1 FN2O2S2C11H11 AB2C2D2E11F11 -83.61 2.02 -8.93 -0.69 0
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37626 8022678 2 NOSC7H9 ABCD7E9 -58.0 3.32 -8.8 -0.46 0
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37627 8022679 2 NSO2C6H6 ABC2D6E6 -101.64 3.92 -8.92 -0.6 0
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37628 8022683 1 ClN2S2O3C12H13 AB2C2D3E12F13 -86.37 5.95 -8.86 -0.69 0
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37629 8022685 1 ClN2S2O3C12H13 AB2C2D3E12F13 -86.4 6.12 -8.86 -0.7 0
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37630 8022696 1 BrClN2O2S2H10C11 ABC2D2E2F10G11 -41.33 3.82 -8.96 -1.0 0
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37631 8022697 1 BrClN2O2S2H10C11 ABC2D2E2F10G11 -42.84 4.01 -8.97 -1.01 0
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37632 8022699 1 Cl2N2O2S2H10C11 A2B2C2D2E10F11 -51.73 2.15 -9.0 -0.91 0
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37633 8022705 1 N2O2S2C11H12 A2B2C2D11E12 -37.58 4.73 -8.82 -0.33 0
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37634 8022708 1 N2S2O3C12H14 A2B2C3D12E14 -79.15 2.52 -8.72 -0.39 0
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37635 8022719 1 FN2O2S2C11H11 AB2C2D2E11F11 -86.92 2.03 -9.07 -0.8 0
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37636 8022724 1 F2N2O2S2H10C11 A2B2C2D2E10F11 -130.04 3.82 -9.01 -0.9 0
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37637 8022727 1 ClN2O2S2C11H11 AB2C2D2E11F11 -48.57 1.83 -9.08 -0.8 0
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37638 8022731 1 FN2O2S2C11H11 AB2C2D2E11F11 -85.17 3.32 -8.98 -0.61 0
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37639 8022732 1 FN2O2S2C11H11 AB2C2D2E11F11 -85.77 3.19 -9.04 -0.71 0
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37640 8022746 1 ClN2O2S2F3H10C12 AB2C2D2E3F10G12 -206.85 4.55 -9.14 -1.3 0
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37641 8022751 1 ClN2O2S2C11H11 AB2C2D2E11F11 -47.18 3.4 -8.99 -0.69 0
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37642 8022756 1 BrN2O2S2C13H15 AB2C2D2E13F15 -54.82 5.73 -8.85 -0.52 0
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37643 8022761 1 BrFN2O2S2H10C11 ABC2D2E2F10G11 -79.73 3.6 -8.99 -1.01 0
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37644 8022764 1 BrFN2O2S2H10C11 ABC2D2E2F10G11 -79.75 3.8 -9.04 -1.03 -1
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37645 8022767 1 ClO5H14C16 AB5C14D16 -160.05 1.9 0.0 0.0 0
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37646 8022781 2 NOC10H12 ABC10D12 -28.62 3.12 -8.39 0.05 0
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37647 8022787 1 N2O2C21H26 A2B2C21D26 -35.36 4.1 -8.33 0.09 0
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37648 8022793 1 ClN2H15C16 AB2C15D16 51.48 3.52 -8.53 -0.08 0
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37649 8022823 1 SN2O5C21H22 AB2C5D21E22 -137.97 3.18 -8.54 -1.21 -1
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37650 8022828 1 SN2O3C14H15 AB2C3D14E15 -39.65 2.63 0.0 0.0 -2
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37651 8022848 2 NO3H7C10 AB3C7D10 -15.26 4.75 -9.72 -4.37 -1
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37652 8022850 1 O2N5C22H24 A2B5C22D24 70.72 14.22 0.0 0.0 0