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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317494 126639127 1 O2N3C7H11 A2B3C7D11 -35.45 3.07 -9.32 -0.36 0
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317495 126639334 1 ON3C9H11 AB3C9D11 -0.22 3.12 -9.01 -0.55 0
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317496 126639393 1 O2N6C17H20 A2B6C17D20 -3.28 6.82 -8.78 -0.5 0
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317497 126639396 1 NC10H17 AB10C17 3.31 1.71 -8.21 0.96 0
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317500 126639510 1 ClO4N5C10H12 AB4C5D10E12 -111.51 13.14 -9.09 -0.67 0
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317504 126639637 1 NC13H23 AB13C23 -7.06 1.53 -8.81 1.21 0
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317506 126639966 1 ClNSF3O4H7C9 ABCD3E4F7G9 -248.66 5.71 -9.36 -1.47 1
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317507 126640059 1 ClSN2O3C7H8 ABC2D3E7F8 -52.16 5.88 0.0 0.0 0
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317510 126640100 1 NC24H47 AB24C47 -91.41 1.32 -8.7 3.08 0
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317511 126640105 1 N2F4C19H22 A2B4C19D22 -185.28 2.63 -9.82 -0.96 0
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317512 126640159 1 N4O4C27H38 A4B4C27D38 -122.32 2.63 -8.92 -0.05 0
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317514 126640222 1 O3N4C28H38 A3B4C28D38 -94.21 6.06 -8.67 -0.11 0
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317516 126640316 1 N3O4C35H47 A3B4C35D47 -165.11 4.85 -8.86 -0.42 0
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317517 126640358 1 NSO6C22H27 ABC6D22E27 -180.62 5.83 -9.38 -0.86 0
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317518 126640381 1 BrSO4C20H23 ABC4D20E23 -155.37 8.33 -8.7 -0.6 0
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317519 126640634 1 NO4C25H27 AB4C25D27 -119.96 3.44 -8.64 -0.76 0
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317522 126642582 1 FCl2O2N4C26H27 AB2C2D4E26F27 -90.88 9.97 -9.84 -1.24 0
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317526 126642957 1 O4N6H26C27 A4B6C26D27 -24.53 12.27 -8.5 -0.69 0
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317531 126643000 1 Cl2O3N6C28H30 A2B3C6D28E30 -28.33 4.44 -9.11 -0.98 0
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317532 126643049 1 BrFO3N8C29H30 ABC3D8E29F30 -51.65 9.12 -9.04 -0.9 0
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317533 126643056 1 F2O3N6C27H30 A2B3C6D27E30 -140.03 5.39 -9.24 -1.04 0
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317534 126643151 1 IO2N5C21H26 AB2C5D21E26 4.7 4.9 -8.79 -1.15 0
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317536 126643174 1 BrO2N3C13H16 AB2C3D13E16 -43.17 1.27 -9.31 -0.62 0
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317538 126643182 2 NO3C9H10 AB3C9D10 -241.97 3.59 -10.01 -1.63 0
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317539 126643185 1 O3N5H15C18 A3B5C15D18 4.81 5.3 -9.46 -1.32 0
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317541 126643196 1 FOCl2N2C11H13 ABC2D2E11F13 -118.09 7.26 -9.4 -0.54 0
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317542 126643197 1 ClFON2C11H12 ABCD2E11F12 -83.67 4.45 -9.1 -0.26 0
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317545 126643221 1 BrO4N7H28C29 AB4C7D28E29 -41.67 5.9 -9.01 -1.06 0
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317546 126643235 1 BrFON4C13H18 ABCD4E13F18 -61.95 8.06 -9.12 -0.35 0
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317548 126643239 1 ClO3N6H29C30 AB3C6D29E30 2.15 9.08 -8.9 -0.76 0
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317549 126643247 1 BrF2O5N7H26C29 AB2C5D7E26F29 -182.28 3.55 -9.34 -1.24 0
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317553 126643319 1 F3N3O3C13H18 A3B3C3D13E18 -278.45 7.91 -9.41 -0.16 0
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317555 126643399 1 ClON2F3H14C17 ABC2D3E14F17 -153.92 3.65 -9.32 -0.58 0
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317557 126643414 1 ClFN3O5C17H21 ABC3D5E17F21 -270.07 6.57 -9.65 -1.16 0
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317559 126643438 1 N2F3O4C17H23 A2B3C4D17E23 -321.33 3.13 -9.3 0.0 0
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317561 126643448 1 F2N3O3H21C24 A2B3C3D21E24 -146.18 3.92 -8.59 -0.35 0
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317562 126643449 1 BrO2N4C19H21 AB2C4D19E21 -25.52 2.91 -8.78 -0.72 0
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317563 126643450 1 ClF2O4N5C19H20 AB2C4D5E19F20 -163.42 6.05 -9.31 -0.77 0
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317565 126643473 1 NO4C18H23 AB4C18D23 -169.35 3.8 -8.98 -0.03 0
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317566 126643482 1 FNO7C14H16 ABC7D14E16 -255.25 6.37 -9.23 -0.58 0
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317567 126643490 1 N3O3H31C32 A3B3C31D32 -11.29 4.1 -8.71 -1.26 0
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317568 126643492 1 NF2O4H11C12 AB2C4D11E12 -237.32 6.32 -9.55 -0.73 0
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317570 126643495 1 F2N3O3H27C30 A2B3C3D27E30 -98.28 2.66 -8.31 -1.41 0
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317571 126643499 1 BrFN3O3C16H21 ABC3D3E16F21 -194.14 3.68 -9.3 -0.53 0
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317574 126643615 2 NO2C4H7 AB2C4D7 -169.1 8.97 -9.88 0.06 0
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317576 126643648 1 N2O8C29H42 A2B8C29D42 -281.54 6.48 -8.93 -0.42 0
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317579 126643777 1 ClSF3O3N6H20C28 ABC3D3E6F20G28 -138.54 3.39 -8.77 -1.27 0
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317580 126643779 1 SF3O3N6H29C31 AB3C3D6E29F31 -173.07 2.94 -8.84 -1.17 0
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317581 126643950 1 N2O6C13H16 A2B6C13D16 -206.43 3.32 -9.92 -0.45 0
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317582 126643989 1 BrNH20C27 ABC20D27 96.28 2.36 -8.05 -0.53 0
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317585 126644084 1 O3N7C37H47 A3B7C37D47 -32.87 5.0 -8.41 -0.52 0
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317587 126644214 1 ClF3O3N4H12C18 AB3C3D4E12F18 -180.08 3.28 -8.98 -1.31 0
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317588 126644215 1 ClS2O7N9C53H56 AB2C7D9E53F56 -126.78 6.5 -8.36 -1.43 0
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317589 126644216 1 SO3F4N6H24C27 AB3C4D6E24F27 -213.99 2.14 -8.85 -1.29 0
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317591 126644218 1 ClS2O7N9C59H64 AB2C7D9E59F64 -148.62 16.71 -9.22 -1.28 0
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317593 126644240 1 BrFNOC12H15 ABCDE12F15 -74.57 3.2 -9.54 -0.49 0
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317594 126644241 1 FN3H14C16 AB3C14D16 37.79 3.93 -8.81 -0.39 0
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317595 126644279 1 O2N5C24H29 A2B5C24D29 -15.62 2.83 -8.68 -0.5 0
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317596 126644289 1 O3N6C36H46 A3B6C36D46 -89.89 3.94 -8.67 -0.52 0
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317597 126644294 1 N3O4C27H29 A3B4C27D29 -115.51 6.29 -8.97 -0.91 0
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317598 126644297 1 O3N6C34H40 A3B6C34D40 -25.34 4.79 -8.56 -0.52 0
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317602 126644308 1 NOC12H19 ABC12D19 -44.49 1.5 -8.88 0.47 0
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317603 126644314 1 ClN3O4H18C19 AB3C4D18E19 -50.59 1.91 -9.21 -1.38 0
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317604 126644315 1 O2N5C31H39 A2B5C31D39 -25.35 1.67 -8.24 -0.51 0
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317605 126644317 1 NO3C14H19 AB3C14D19 -105.05 2.7 -9.2 0.24 0
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317606 126644318 1 FSN3O4C20H20 ABC3D4E20F20 -164.0 5.36 -8.77 -0.82 0
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317607 126644320 1 BrSO2N3H16C17 ABC2D3E16F17 -15.22 5.35 -8.77 -0.91 0
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317609 126644324 1 ON2C8H14 AB2C8D14 -17.25 3.6 -9.22 0.27 0
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317610 126644327 1 SO2N3C18H19 AB2C3D18E19 -27.45 3.36 -8.59 -0.49 0
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317611 126644331 1 O3N5C23H27 A3B5C23D27 -38.25 0.97 -8.7 -0.59 0
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317613 126644335 1 O3N6C32H38 A3B6C32D38 -21.11 1.86 -8.51 -0.39 0
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317615 126644341 1 BrN2F3H6C7 AB2C3D6E7 -120.81 5.18 -10.81 -1.77 0
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317616 126644346 1 O2N5C28H29 A2B5C28D29 24.18 2.7 -8.67 -0.45 0
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317617 126644350 1 O2N5C28H29 A2B5C28D29 23.08 3.31 -8.77 -0.47 0
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317618 126644351 1 Cl2O2N5C22H23 A2B2C5D22E23 -18.69 4.38 -8.74 -0.58 0
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317619 126644354 1 Cl2O2N5C22H23 A2B2C5D22E23 -16.79 6.18 -8.7 -0.58 0
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317620 126644355 1 O3N8C36H46 A3B8C36D46 -15.17 3.0 -8.54 -0.58 0
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317621 126644358 1 ClN3O3H18C19 AB3C3D18E19 -48.36 2.44 -9.1 -1.37 0
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317622 126644361 1 SN2O6H12C16 AB2C6D12E16 -89.5 4.66 -9.54 -1.88 0
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317624 126644407 1 O2N7C36H45 A2B7C36D45 17.05 1.18 -8.48 -0.52 0
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317625 126644432 1 ClN3O4H18C19 AB3C4D18E19 -51.24 1.89 -9.31 -1.36 0
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317627 126644501 1 N2O3C12H16 A2B3C12D16 -36.76 7.31 -9.69 -1.2 0
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317628 126644531 1 O2N6C35H40 A2B6C35D40 16.86 3.55 -8.36 -0.82 0
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317629 126644558 1 ClS2O8N9C53H60 AB2C8D9E53F60 -203.27 7.26 -8.38 -1.57 0
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317630 126644578 1 O2N5C30H37 A2B5C30D37 -17.84 0.84 -8.32 -0.51 0
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317631 126644602 1 O3N4C26H30 A3B4C26D30 -71.44 4.22 -8.95 -0.78 0
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317633 126644634 1 NSF2O3H11C16 ABC2D3E11F16 -140.93 2.25 -9.31 -1.16 0
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317634 126644645 1 BrON4C15H15 ABC4D15E15 3.93 1.12 -9.1 -1.09 0
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317636 126644657 1 O3N5C37H47 A3B5C37D47 -99.19 3.36 -8.67 -0.7 0
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317637 126644682 1 O2N5C31H35 A2B5C31D35 6.47 6.84 -8.51 -0.45 0
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317638 126644683 1 O3N7C38H47 A3B7C38D47 -29.18 3.12 -8.27 -0.66 0
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317640 126644690 1 FSN2O3H13C16 ABC2D3E13F16 -102.69 6.02 -9.03 -0.85 0
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317642 126644720 1 F2O2N5C32H39 A2B2C5D32E39 -143.21 2.56 -8.87 -0.61 0
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317643 126644725 1 O2N5C25H29 A2B5C25D29 -12.17 2.33 -8.46 -0.62 0
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317644 126644736 1 O4N5C21H23 A4B5C21D23 -71.55 8.01 -9.0 -0.95 0
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317645 126644752 1 N2O3F6H22C23 A2B3C6D22E23 -390.31 5.59 -9.22 -0.85 0
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317646 126644764 3 ON2C6H8 AB2C6D8 -52.58 1.36 -8.85 -0.7 0
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317647 126644795 1 O2N5C22H27 A2B5C22D27 -3.96 3.69 -8.65 -0.38 0
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317648 126644807 1 ClSN2O2H15C17 ABC2D2E15F17 -21.53 2.0 -9.24 -1.05 0
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317653 126644836 1 O2N4C27H32 A2B4C27D32 -36.34 2.26 -8.91 -0.62 0