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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25496 625875 1 O2F3H9C16 A2B3C9D16 -189.65 2.77 -9.72 -1.71 0
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25497 625876 1 O2F3H9C16 A2B3C9D16 -189.9 5.4 -9.7 -1.58 0
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25498 625877 1 O2C19H30 A2B19C30 -141.04 2.08 -9.08 1.31 0
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25499 625879 2 C11H13 A11B13 -9.23 1.0 -8.27 -0.04 0
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25500 625880 1 ClOSN2H11C14 ABCD2E11F14 16.54 4.72 -8.29 -0.83 0
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25501 625881 1 ClSO3N4C14H15 ABC3D4E14F15 -83.45 8.73 -9.18 -0.89 0
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25502 625883 1 OCl2N2H8C14 AB2C2D8E14 41.09 4.87 -9.18 -1.47 0
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25503 625949 1 SN3O4H9C12 AB3C4D9E12 32.63 7.17 -9.25 -1.55 0
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25504 625961 1 N4F6H10C15 A4B6C10D15 -215.7 7.09 -9.35 -1.45 0
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25505 626015 2 NOH8C9 ABC8D9 -4.15 5.01 -8.81 -0.87 0
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25506 626016 1 NO2H17C19 AB2C17D19 -0.9 5.39 -8.64 -0.31 0
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25507 626017 1 N2C37H58 A2B37C58 50.26 4.46 -8.13 -0.27 0
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25508 626023 1 NCl2O2H7C14 AB2C2D7E14 -28.01 1.27 -9.23 -2.02 0
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25509 626024 1 NCl2O2H7C14 AB2C2D7E14 -27.75 1.47 -9.06 -1.77 0
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25510 626052 1 NO4S4C11H13 AB4C4D11E13 -157.83 3.9 -9.32 -1.93 0
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25511 626064 1 NO4C30H47 AB4C30D47 -189.95 3.46 -8.67 0.18 0
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25512 626074 2 NOH8C9 ABC8D9 31.88 2.94 -8.25 -0.92 0
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25513 626099 1 PC20H21 AB20C21 59.63 1.25 -8.58 0.19 0
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25514 626101 1 FSN2O2H13C14 ABC2D2E13F14 -55.64 2.55 -8.3 -1.18 0
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25515 626102 1 FSN2O3H9C13 ABC2D3E9F13 -72.75 4.24 -10.06 -1.38 0
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25516 626104 1 ClSiH13C18 ABC13D18 23.54 1.71 -8.84 -0.76 0
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25517 626105 1 ClN2O2F3H8C11 AB2C2D3E8F11 -190.6 3.35 -9.24 -1.38 0
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25518 626107 1 FOC19H29 ABC19D29 -138.72 3.1 -8.92 1.52 0
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25519 626110 1 OC21H24 AB21C24 -31.67 1.12 -8.36 -0.32 0
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25520 626111 1 ON4H16C17 AB4C16D17 102.42 5.91 -8.49 -0.93 1
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25521 626112 1 ON4C17H17 AB4C17D17 96.34 3.15 0.0 0.0 0
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25522 626113 2 FH7C10 AB7C10 -54.32 2.44 -8.34 -1.06 0
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25523 626232 1 O3H18C19 A3B18C19 -73.81 5.82 -9.13 -0.45 0
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25524 626235 1 NOCl2H13C15 ABC2D13E15 -10.21 4.76 -9.0 -1.04 0
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25525 626236 1 BrO2N6H21C26 AB2C6D21E26 127.05 5.05 -8.81 -2.21 0
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25526 626237 1 ClN3O4H8C12 AB3C4D8E12 25.76 6.98 -9.8 -1.78 0
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25527 626243 1 NSBr2H3C7 ABC2D3E7 65.48 1.74 -9.32 -1.31 -8
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25528 626249 1 FePC22H33 ABC22D33 83.67 0.6 -7.05 -0.23 0
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25529 626250 1 O2N3C18H19 A2B3C18D19 17.81 3.37 -8.14 -1.28 0
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25530 626255 1 SO3C20H20 AB3C20D20 -86.55 7.42 -8.32 -0.6 0
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25531 626256 1 O5C20H28 A5B20C28 -245.74 8.57 -8.69 0.22 -4
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25532 626283 4 SiC4H9 AB4C9 -82.36 0.15 -7.65 0.18 0
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25533 626284 2 O2H7C9 A2B7C9 -68.16 1.18 -8.51 -1.14 0
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25535 626300 1 ClO3N4H11C12 AB3C4D11E12 11.35 4.1 -9.27 -1.3 0
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25536 626301 1 O3N4H10C15 A3B4C10D15 58.57 5.06 -9.68 -1.68 0
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25537 626302 1 N2O3H14C17 A2B3C14D17 -25.81 4.28 -8.74 -1.36 0
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25538 626303 2 O2C10H11 A2B10C11 -144.79 5.17 -9.82 -0.57 0
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25539 626304 1 SF3N4H5C12 AB3C4D5E12 -33.21 9.88 -9.44 -2.11 0
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25540 626305 1 ON2C19H22 AB2C19D22 17.0 1.48 -8.33 0.38 0
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25541 626306 1 SN2O2H10C16 AB2C2D10E16 21.83 2.08 -9.01 -1.46 0
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25542 626307 1 O2N6C15H16 A2B6C15D16 146.1 4.0 -8.11 -1.59 0
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25543 626308 1 ClSN2O2H11C13 ABC2D2E11F13 -22.73 2.56 -8.94 -0.69 0
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25544 626309 1 Cl2N2O2H8C13 A2B2C2D8E13 52.92 6.19 -9.6 -1.6 0
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25545 626310 1 PSO3C14H15 ABC3D14E15 -138.67 6.11 -8.73 -0.24 0
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25546 626311 2 O2H7C9 A2B7C9 -81.62 2.26 -8.85 -0.32 0
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25547 626312 1 SN2O3C14H18 AB2C3D14E18 -80.88 5.8 -9.24 -1.15 0
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25548 626313 1 N2O3H14C17 A2B3C14D17 -26.53 3.45 -8.79 -1.42 0
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25549 626314 1 N2O3H14C17 A2B3C14D17 -45.0 1.78 -9.05 -0.8 0
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25550 626315 1 N2O3H14C17 A2B3C14D17 -48.9 2.19 -8.98 -0.7 0
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25552 626317 1 ON2C19H22 AB2C19D22 104.5 2.95 -8.49 0.12 -10
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25554 626319 1 SCl2O2N3H9C12 AB2C2D3E9F12 -31.5 6.08 -9.56 -0.88 0
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25555 626344 1 SN2O2H10C16 AB2C2D10E16 57.32 5.57 -8.93 -1.3 0
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25556 626346 1 N3O3H13C16 A3B3C13D16 20.01 1.89 -9.9 -1.67 0
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25557 626349 1 SN2O4C13H14 AB2C4D13E14 -116.52 4.63 -8.76 -0.91 0
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25558 626354 1 O3H18C19 A3B18C19 -74.02 2.39 -9.69 -1.6 0
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25559 626355 2 OC10H11 AB10C11 -49.54 1.66 -7.88 -0.34 0
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25560 626356 2 Br2O3C10H10 A2B3C10D10 -167.32 0.02 -9.68 -1.01 0
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25561 626362 1 SN4O4H14C16 AB4C4D14E16 -36.79 7.03 -9.65 -1.27 0
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25562 626455 1 NO3H17C18 AB3C17D18 -94.98 4.09 -8.82 -1.09 0
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25563 626456 1 NOC20H25 ABC20D25 -3.61 2.34 -9.08 -1.24 0
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25564 626457 1 HOF15C16 ABC15D16 -655.83 1.99 -10.9 -1.86 0
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25565 626459 1 NO3H17C18 AB3C17D18 -82.6 5.7 -8.53 -0.6 0
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25566 626460 1 OSiC21H42 ABC21D42 -121.81 1.45 -8.68 1.21 0
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25567 626461 1 O3C20H22 A3B20C22 -98.59 5.91 -8.87 -0.06 0
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25568 626462 1 ClN2O2H13C18 AB2C2D13E18 40.82 4.42 -9.42 -1.1 0
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25569 626470 1 ClN3O3C13H14 AB3C3D13E14 -55.23 4.46 -8.84 -0.8 0
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25570 626471 1 CuO4C30H40 AB4C30D40 -92.47 11.1 0.0 0.0 0
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25571 626622 1 N3H17C21 A3B17C21 118.03 7.36 -8.87 -0.64 0
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25572 626623 1 FNOC19H20 ABCD19E20 -44.59 4.24 -8.45 -0.55 0
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25573 626630 1 NO4H15C17 AB4C15D17 -101.96 5.58 -8.61 -0.8 0
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25574 626663 1 Si2O7C12H30 A2B7C12D30 -543.41 0.67 -9.8 0.41 0
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25575 626670 1 OSiC20H42 ABC20D42 -172.93 1.67 -8.93 1.39 0
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25576 626673 1 ON2C22H34 AB2C22D34 -56.94 3.2 -8.26 0.54 0
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25577 626690 1 OSiF5C21H33 ABC5D21E33 -361.11 4.76 -9.99 -0.76 0
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25578 626809 1 O4C25H36 A4B25C36 -214.13 2.12 -9.82 -0.07 0
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25579 626837 2 NO2C12H23 AB2C12D23 -272.08 7.24 -9.37 0.88 0
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25580 626838 1 ON3H17C21 AB3C17D21 75.13 7.26 -9.24 -0.52 0
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25581 626840 1 Cl2N2S2H24C33 A2B2C2D24E33 144.15 2.77 -8.55 -0.77 0
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25582 626841 1 O5H14C17 A5B14C17 -84.69 5.54 -9.27 -1.01 0
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25583 626893 2 O2C9H9 A2B9C9 -101.85 3.44 -8.4 -0.23 0
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25584 626971 1 IO2C22H35 AB2C22D35 -119.57 2.51 -9.2 -0.73 0
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25585 626974 1 OSF3N3H8C12 ABC3D3E8F12 -141.67 7.46 -8.95 -1.75 0
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25586 626976 1 O4C19H22 A4B19C22 -144.58 5.25 -8.49 -0.16 0
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25587 626980 1 ClNO4H12C18 ABC4D12E18 -89.09 3.32 -8.69 -1.82 0
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25588 627012 1 OSN3C16H17 ABC3D16E17 54.43 4.11 -8.46 -0.52 0
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25589 627019 3 OC7H10 AB7C10 -139.38 3.55 -9.47 0.88 0
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25590 627020 1 SO2N3H13C15 AB2C3D13E15 80.33 10.49 -8.75 -1.65 0
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25591 627022 1 SN2O2Cl3H15C17 AB2C2D3E15F17 -32.63 8.68 -8.65 -0.58 0
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25592 627023 1 N3O5H9C14 A3B5C9D14 26.98 9.31 -9.33 -2.54 0
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25593 627026 1 SO2N3H13C15 AB2C3D13E15 -16.21 2.61 -8.81 -1.58 0
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25594 627027 1 NOS2H13C16 ABC2D13E16 46.11 1.75 -8.27 -1.12 0
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25595 627028 1 N3H17C20 A3B17C20 110.11 3.89 -7.83 -0.42 0
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25596 627031 1 NSiS2C14H25 ABC2D14E25 -35.58 1.61 -8.68 -0.15 0
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25597 627032 1 NO2C19H25 AB2C19D25 -59.13 1.9 -8.75 0.28 0
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25598 627042 1 O2N3H9C18 A2B3C9D18 73.62 7.24 -9.4 -2.18 0