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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41553 8146272 1 ClN3O4C20H26 AB3C4D20E26 -176.35 2.69 -9.25 -0.39 1
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41554 8146274 1 ClN3O4C20H27 AB3C4D20E27 -153.85 2.77 0.0 0.0 0
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41555 8146282 1 ON2C26H26 AB2C26D26 55.76 3.82 -9.24 -0.03 1
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41556 8146284 1 O2S2N4C17H25 A2B2C4D17E25 -12.47 5.9 0.0 0.0 0
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41557 8146285 1 O2S2N4C17H24 A2B2C4D17E24 -30.67 4.17 -8.27 -1.02 1
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41558 8146287 1 O2S2N4C17H25 A2B2C4D17E25 -11.48 6.33 0.0 0.0 0
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41559 8146300 1 SO2N3C17H23 AB2C3D17E23 -55.88 5.46 -8.13 -0.47 0
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41560 8146307 1 SO3N4C21H30 AB3C4D21E30 -81.48 6.42 -8.16 -0.34 1
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41561 8146308 1 SO3N4C21H31 AB3C4D21E31 -66.04 6.64 0.0 0.0 1
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41562 8146314 1 N2O4C18H23 A2B4C18D23 -132.8 6.1 0.0 0.0 0
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41563 8146321 1 ClSO2N4C18H23 ABC2D4E18F23 -33.88 1.62 -8.36 -0.78 1
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41564 8146322 1 ClSO2N4C19H26 ABC2D4E19F26 -29.22 3.91 0.0 0.0 0
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41565 8146323 1 ClSO2N4C19H25 ABC2D4E19F25 -45.62 3.1 -8.35 -0.83 0
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41566 8146327 1 ON4C17H18 AB4C17D18 44.42 1.48 -9.1 -0.87 0
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41567 8146329 1 SO2N4C19H26 AB2C4D19E26 -35.91 4.86 -8.28 -0.47 1
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41568 8146347 1 N2O4C16H21 A2B4C16D21 -125.3 3.88 0.0 0.0 0
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41569 8146349 1 SO2N3C21H25 AB2C3D21E25 -23.87 2.42 -8.55 -0.32 0
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41570 8146351 1 SCl2O2N4C15H18 AB2C2D4E15F18 -33.42 2.19 -8.5 -1.46 1
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41571 8146353 1 FN3O3C21H21 AB3C3D21E21 -45.86 7.67 0.0 0.0 0
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41572 8146354 1 FN3O3H20C21 AB3C3D20E21 -64.0 8.57 -9.02 -0.94 1
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41573 8146361 1 SO3N4C16H21 AB3C4D16E21 -34.2 8.37 0.0 0.0 0
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41574 8146363 1 ON4C13H18 AB4C13D18 11.0 1.99 -9.47 -0.79 0
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41575 8146365 1 Cl2N2O4C17H18 A2B2C4D17E18 -154.31 1.0 -9.28 -1.84 1
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41576 8146366 1 Cl2N2O4C17H19 A2B2C4D17E19 -151.99 13.71 0.0 0.0 0
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41577 8146367 1 Cl2N2O4C17H18 A2B2C4D17E18 -155.36 1.71 -9.22 -1.8 0
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41578 8146369 1 FON4H13C15 ABC4D13E15 7.45 1.11 -9.05 -0.91 1
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41579 8146370 1 SO2N4C18H25 AB2C4D18E25 -14.99 5.0 0.0 0.0 0
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41580 8146371 1 SO2N4C18H24 AB2C4D18E24 -28.51 3.98 -8.3 -0.37 0
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41581 8146377 1 SO2N4C20H26 AB2C4D20E26 -6.52 4.25 -8.31 -0.38 1
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41582 8146384 1 SN4O4C20H29 AB4C4D20E29 -87.55 2.5 0.0 0.0 1
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41583 8146389 1 SO2N4C19H27 AB2C4D19E27 -19.1 5.09 0.0 0.0 0
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41584 8146397 1 SO2N4C21H28 AB2C4D21E28 -10.7 3.26 -8.21 -0.17 1
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41585 8146401 1 FSN3O3C17H21 ABC3D3E17F21 -90.77 5.88 0.0 0.0 1
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41586 8146403 1 SN3O5C19H26 AB3C5D19E26 -121.49 5.89 0.0 0.0 0
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41587 8146405 1 OSN4H12C13 ABC4D12E13 67.35 0.33 -9.32 -0.78 1
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41588 8146406 1 SN3O5C19H26 AB3C5D19E26 -119.89 5.35 0.0 0.0 1
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41589 8146411 1 SCl2O2N4C17H21 AB2C2D4E17F21 -24.92 13.54 0.0 0.0 0
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41590 8146412 1 SCl2O2N4C17H20 AB2C2D4E17F20 -27.61 10.21 -8.13 -1.3 1
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41591 8146413 1 S2N3O3C15H20 A2B3C3D15E20 -40.36 7.26 0.0 0.0 0
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41592 8146414 1 S2N3O3C15H19 A2B3C3D15E19 -54.38 3.41 -8.75 -1.24 0
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41593 8146415 1 O2N5C13H17 A2B5C13D17 -29.5 7.21 -9.21 -0.49 1
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41594 8146416 1 S2N3O3C15H20 A2B3C3D15E20 -38.61 6.3 0.0 0.0 1
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41595 8146418 1 ON3C22H26 AB3C22D26 47.18 8.29 0.0 0.0 1
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41596 8146420 1 ClSO3N4C18H24 ABC3D4E18F24 -65.97 9.31 0.0 0.0 0
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41597 8146423 1 ClSO3N4C18H23 ABC3D4E18F23 -62.0 9.38 -8.27 -1.31 0
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41598 8146424 1 OSN5H9C13 ABC5D9E13 91.13 6.42 -9.38 -1.5 1
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41599 8146425 1 OSN3C23H28 ABC3D23E28 35.31 6.88 0.0 0.0 0
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41600 8146445 1 SO2N4C19H26 AB2C4D19E26 -24.62 8.81 -8.34 -1.18 1
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41601 8146468 1 SO3N4C19H27 AB3C4D19E27 -51.9 7.15 0.0 0.0 1
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41602 8146471 1 SO2N3C24H26 AB2C3D24E26 32.88 8.41 0.0 0.0 1
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41603 8146473 1 SO3N4C20H29 AB3C4D20E29 -60.12 6.9 0.0 0.0 0
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41604 8146476 1 SO3N4C20H28 AB3C4D20E28 -79.47 5.51 -8.08 -0.3 1
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41605 8146482 1 SO3N4C21H29 AB3C4D21E29 -34.73 7.78 0.0 0.0 0
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41606 8146483 1 SO3N4C21H28 AB3C4D21E28 -49.53 3.75 -8.24 -0.35 1
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41607 8146514 1 NO4C20H26 AB4C20D26 -133.13 5.81 0.0 0.0 0
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41608 8146522 1 SO2N4C19H26 AB2C4D19E26 -37.76 4.24 -8.19 -0.23 0
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41609 8146534 1 NO5C21H27 AB5C21D27 -214.2 7.99 -8.62 -0.88 1
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41610 8146535 1 SO2N3H18C19 AB2C3D18E19 27.36 7.47 0.0 0.0 0
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41611 8146547 1 SN3O5C19H25 AB3C5D19E25 -142.35 5.9 -8.73 -0.87 1
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41612 8146551 1 SN3O5C19H26 AB3C5D19E26 -127.19 7.82 0.0 0.0 1
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41613 8146558 1 SO2N4C18H25 AB2C4D18E25 -11.76 5.11 0.0 0.0 0
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41614 8146559 1 SO2N4C18H24 AB2C4D18E24 -24.72 4.66 -8.33 -0.43 0
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41615 8146568 1 SO2N4C19H26 AB2C4D19E26 -35.18 3.06 -8.28 -0.2 0
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41616 8146579 1 ClO2N3H14C15 AB2C3D14E15 -19.64 5.34 -9.51 -0.93 0
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41617 8146592 1 N3O4C17H19 A3B4C17D19 -82.85 5.13 -8.55 -0.5 0
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41618 8146595 1 O2N3C16H23 A2B3C16D23 -71.21 1.65 -9.04 0.15 1
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41619 8146596 1 O2N3C16H24 A2B3C16D24 -52.21 1.94 0.0 0.0 0
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41620 8146598 1 O3N4H22C23 A3B4C22D23 2.5 5.65 -8.92 -0.4 1
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41621 8146601 1 O2N3C23H28 A2B3C23D28 -27.8 6.91 0.0 0.0 0
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41622 8146607 2 NOC9H9 ABC9D9 -6.3 5.69 -9.05 -1.14 0
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41623 8146608 1 SN4O4H16C19 AB4C4D16E19 -23.79 2.76 -8.88 -1.04 0
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41624 8146610 1 BrN2O2H17C18 AB2C2D17E18 -6.81 5.27 -9.21 -1.51 1
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41625 8146622 1 S2N4C19H23 A2B4C19D23 80.57 5.26 0.0 0.0 1
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41626 8146627 1 FN2O2C18H18 AB2C2D18E18 -48.42 8.54 0.0 0.0 1
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41627 8146629 1 S2N4C16H19 A2B4C16D19 116.67 4.87 0.0 0.0 0
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41628 8146630 2 SN2C8H9 AB2C8D9 119.27 8.26 -8.23 -1.4 0
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41629 8146631 2 ON2C9H11 AB2C9D11 6.4 10.17 -9.06 -0.4 1
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41630 8146634 1 SN3O3C19H20 AB3C3D19E20 16.7 5.81 0.0 0.0 0
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41631 8146637 1 O2S2N3H17C18 A2B2C3D17E18 8.02 4.7 -8.6 -0.95 1
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41632 8146639 1 FSO2N3H17C19 ABC2D3E17F19 -21.92 9.19 0.0 0.0 0
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41633 8146642 1 SN3O3C20H23 AB3C3D20E23 -18.2 4.73 -8.56 -0.9 0
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41634 8146644 1 FSO2N3H16C19 ABC2D3E16F19 -37.92 5.85 -8.78 -1.01 0
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41635 8146645 1 ClON4H15C16 ABC4D15E16 44.19 2.88 -9.4 -0.89 1
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41636 8146646 1 SN3O4C21H26 AB3C4D21E26 -37.34 4.54 0.0 0.0 0
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41637 8146647 1 SN3O4C21H25 AB3C4D21E25 -50.67 2.87 -8.35 -0.9 0
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41638 8146654 1 O2N3C16H17 A2B3C16D17 -14.97 6.67 -9.19 -0.6 0
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41639 8146656 1 O2N3C16H17 A2B3C16D17 -16.71 6.77 -9.12 -0.53 1
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41640 8146658 1 O2N3C16H18 A2B3C16D18 5.9 11.8 0.0 0.0 1
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41641 8146667 1 S2N4C19H23 A2B4C19D23 120.29 10.95 0.0 0.0 0
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41642 8146669 1 ClNO4C17H22 ABC4D17E22 -170.14 3.74 -9.26 -0.44 1
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41643 8146670 1 OSN5C18H22 ABC5D18E22 106.98 4.74 0.0 0.0 1
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41644 8146674 1 SN5C23H24 AB5C23D24 156.61 3.66 0.0 0.0 0
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41645 8146677 1 O2S2N3H17C18 A2B2C3D17E18 5.8 2.43 -8.53 -1.06 0
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41646 8146681 1 SN3O4C16H17 AB3C4D16E17 -113.76 6.22 -9.03 -1.32 0
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41647 8146683 1 SN5C17H21 AB5C17D21 88.69 4.11 -8.45 -1.04 0
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41648 8146689 1 SN3O3H15C17 AB3C3D15E17 -15.51 0.99 -8.71 -1.26 0
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41649 8146696 1 SN3O3H15C17 AB3C3D15E17 -20.17 4.31 -8.54 -1.07 0
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41650 8146697 1 BrN2O2H15C18 AB2C2D15E18 -0.87 3.27 -9.41 -1.22 1
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41651 8146698 1 O2N3C21H26 A2B3C21D26 -36.74 3.78 0.0 0.0 0
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41652 8146699 1 O2N3C21H25 A2B3C21D25 -46.1 1.59 -8.68 -0.01 1