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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141413 52874759 1 SO2N3C23H31 AB2C3D23E31 -72.48 7.21 -8.84 -0.84 0
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141414 52874854 1 O3N5C22H25 A3B5C22D25 -88.68 6.53 -8.87 -0.4 0
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141415 52874902 1 N2O3C22H26 A2B3C22D26 -74.46 2.37 -8.45 0.17 0
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141416 52874903 1 ClN2O3C21H23 AB2C3D21E23 -111.15 3.92 -8.72 -0.28 0
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141417 52874949 1 N4O5C23H26 A4B5C23D26 -146.63 7.08 -9.22 -0.77 1
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141418 52875035 1 OCl2N3C15H16 AB2C3D15E16 -6.86 9.94 0.0 0.0 1
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141419 52875036 1 N3O3C17H22 A3B3C17D22 -66.1 6.99 0.0 0.0 1
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141420 52875037 1 BrON3C15H17 ABC3D15E17 13.93 8.81 0.0 0.0 0
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141421 52875143 1 ClON5C20H24 ABC5D20E24 43.08 4.56 -7.75 -0.81 0
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141422 52875191 1 ClN4C17H25 AB4C17D25 26.6 7.94 -8.81 -0.67 0
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141423 52875575 1 ClNSO3C16H24 ABCD3E16F24 -135.59 4.42 -9.49 -0.64 0
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141424 52875826 1 NO5C10H11 AB5C10D11 -194.62 7.49 -9.32 -0.98 0
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141425 52876529 1 O3N6C20H26 A3B6C20D26 -35.07 5.3 -8.6 -0.22 0
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141426 52876530 1 FSO3N5C21H22 ABC3D5E21F22 -50.4 3.75 -9.58 -1.19 0
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141427 52876644 1 FOSN3C23H24 ABCD3E23F24 -17.28 4.42 -9.09 -1.08 0
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141428 52876822 1 ClON3C21H24 ABC3D21E24 -10.29 4.76 -8.47 -0.02 0
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141429 52876823 1 ClFOSN2H20C22 ABCDE2F20G22 -29.7 5.4 -9.2 -0.89 0
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141430 52876984 1 O2N5C26H35 A2B5C26D35 -62.28 9.28 -7.9 -0.51 0
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141431 52876994 1 ClN2S2O3C17H23 AB2C2D3E17F23 -130.3 6.29 -8.79 -0.32 0
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141432 52877076 1 F3N3O3C15H22 A3B3C3D15E22 -321.74 8.73 -9.65 0.42 1
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141433 52877175 1 BrN2O2C21H24 AB2C2D21E24 -20.18 4.74 0.0 0.0 0
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141434 52877378 1 Cl2O2N3C20H25 A2B2C3D20E25 -82.27 9.42 -9.33 -0.58 1
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141435 52877577 1 N3O3C28H36 A3B3C28D36 -64.97 8.01 0.0 0.0 0
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141436 52877674 1 ON2C15H24 AB2C15D24 -44.03 4.74 -8.96 1.29 0
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141437 52877768 1 OSN4C20H24 ABC4D20E24 4.14 8.4 -8.34 -0.9 0
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141438 52877867 1 ClNOSC15H18 ABCDE15F18 -7.8 1.36 -8.36 -0.68 0
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141439 52877868 2 NOC6H9 ABC6D9 -78.91 1.86 -8.57 0.1 0
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141440 52877869 2 NOC6H9 ABC6D9 -77.47 4.28 -8.73 -0.04 1
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141441 52877870 1 N3O3C26H36 A3B3C26D36 -106.41 5.39 0.0 0.0 0
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141442 52877871 1 N3O3C26H35 A3B3C26D35 -119.84 2.66 -9.04 0.31 1
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141443 52877872 1 N3O3C26H36 A3B3C26D36 -106.19 7.44 0.0 0.0 0
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141444 52877873 1 N3O3C26H35 A3B3C26D35 -121.94 4.64 -9.07 0.22 1
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141445 52877874 1 N3O3C26H36 A3B3C26D36 -110.97 7.08 0.0 0.0 0
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141446 52877875 1 N3O3C26H35 A3B3C26D35 -128.51 3.42 -8.7 0.01 1
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141447 52877876 1 ON2C14H21 AB2C14D21 -16.8 4.83 0.0 0.0 1
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141448 52878048 1 N3O3C21H34 A3B3C21D34 -91.06 2.52 0.0 0.0 0
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141449 52878479 1 ClSN4O5C20H21 ABC4D5E20F21 -160.92 5.35 -9.48 -0.86 0
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141450 52878480 1 ClS2N4O4H15C16 AB2C4D4E15F16 -115.13 4.31 -9.16 -1.11 0
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141451 52878481 1 ClS2N4O4H15C16 AB2C4D4E15F16 -113.63 2.94 -9.51 -0.87 0
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141452 52878482 1 ClSN3O5C21H24 ABC3D5E21F24 -156.84 2.86 -8.4 -0.76 0
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141453 52878483 1 ClSN3O5C21H24 ABC3D5E21F24 -156.05 4.33 -8.63 -0.75 0
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141454 52878516 1 NO4C13H21 AB4C13D21 -198.66 3.36 -9.65 0.52 0
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141455 52878536 1 ClSN3O3C14H14 ABC3D3E14F14 -91.36 2.76 -9.22 -1.14 0
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141456 52878644 1 S2N3O4C23H29 A2B3C4D23E29 -114.53 5.67 -9.11 -1.04 -1
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141457 52879222 1 ClO2S2N4C16H16 AB2C2D4E16F16 42.29 2.37 0.0 0.0 1
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141458 52879456 1 O2N4C18H29 A2B4C18D29 -48.15 4.44 0.0 0.0 0
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141459 52879457 2 ON2C9H14 AB2C9D14 -44.82 5.5 -8.89 -0.17 2
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141460 52879665 1 OCl2N4C21H30 AB2C4D21E30 81.53 17.89 -3.08 -1.39 0
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141461 52880083 1 F3N3O3H10C14 A3B3C3D10E14 -121.88 8.1 -9.79 -1.62 0
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141462 52880319 1 ClOSN5H16C18 ABCD5E16F18 107.75 5.36 -9.01 -1.02 0
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141463 52880320 1 ClOSN5H16C18 ABCD5E16F18 108.38 5.61 -9.01 -0.99 0
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141464 52880321 1 ClOSN5H18C19 ABCD5E18F19 97.56 5.9 -8.88 -0.83 0
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141465 52880322 1 ClOSN5H18C19 ABCD5E18F19 98.58 6.39 -8.91 -0.82 0
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141466 52880323 1 ClSF3N4C16H16 ABC3D4E16F16 -97.57 6.57 -8.9 -0.8 0
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141467 52880324 1 F3S3N4C18H19 A3B3C4D18E19 -60.64 4.95 -8.87 -1.29 0
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141468 52880325 1 O2S2N7C18H25 A2B2C7D18E25 53.85 4.25 -8.63 -0.42 0
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141469 52880340 1 S2O3N5C17H21 A2B3C5D17E21 -5.94 8.91 -9.04 -0.46 0
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141470 52880341 1 S2N4O4C17H20 A2B4C4D17E20 -48.62 2.22 -9.09 -0.46 0
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141471 52880555 1 NSO6H17C20 ABC6D17E20 -159.6 9.67 -9.06 -0.88 -2
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141472 52880556 1 NSO7H15C21 ABC7D15E21 -96.07 5.59 -9.18 -3.0 0
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141473 52880563 1 NSO8H19C22 ABC8D19E22 -248.72 9.66 -9.29 -1.43 0
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141474 52880601 1 FSO4N5H16C17 ABC4D5E16F17 -72.63 9.73 -9.46 -1.26 -1
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141475 52880625 1 FS2O4N6C18H20 AB2C4D6E18F20 -79.84 8.5 0.0 0.0 0
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141476 52880626 1 FS2O4N6C18H21 AB2C4D6E18F21 -106.8 6.28 -9.38 -1.11 -1
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141477 52880788 1 ClSN2O3F6H10C16 ABC2D3E6F10G16 -372.21 1.7 0.0 0.0 0
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141478 52880863 1 FN3O3C26H28 AB3C3D26E28 -111.11 8.78 -8.4 -0.5 0
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141479 52880995 1 O2F3N5C20H22 A2B3C5D20E22 -189.79 5.49 -8.62 -0.16 0
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141480 52881025 1 OSN7H19C23 ABC7D19E23 146.25 7.79 -9.39 -0.95 0
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141481 52881026 1 OSN7H19C23 ABC7D19E23 145.1 6.82 -9.34 -0.96 0
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141482 52881027 1 ON8C22H22 AB8C22D22 105.76 10.98 -9.38 -1.08 0
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141483 52881560 1 SN3O4C20H23 AB3C4D20E23 -135.69 4.26 -8.76 -1.14 0
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141484 52881568 1 SO2N4C20H22 AB2C4D20E22 -38.93 4.34 -8.76 -0.92 2
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141485 52881683 1 O2N4C27H40 A2B4C27D40 -62.66 2.49 -8.02 0.12 0
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141486 52882008 2 NSO2C8H17 ABC2D8E17 -226.19 0.65 -9.83 0.44 0
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141487 52882240 1 SN2O3C17H26 AB2C3D17E26 -147.27 5.89 -8.71 -0.15 0
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141488 52882604 1 ClOSN3C14H16 ABCD3E14F16 11.59 6.28 -9.07 -0.44 1
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141489 52882605 1 O2N8C23H29 A2B8C23D29 78.71 4.57 0.0 0.0 1
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141490 52882661 1 O2N7C17H26 A2B7C17D26 29.02 4.74 0.0 0.0 1
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141491 52882903 1 N3O3C21H34 A3B3C21D34 -134.93 3.85 0.0 0.0 0
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141492 52882904 3 NOC7H11 ABC7D11 -148.09 2.72 -8.64 0.47 0
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141493 52882905 1 N2O4C21H26 A2B4C21D26 -140.37 5.52 -9.3 -0.34 0
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141494 52883472 1 ON3C19H29 AB3C19D29 -11.97 4.35 -8.49 -0.01 0
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141495 52883626 1 N2S2O8C19H22 A2B2C8D19E22 -263.71 6.94 -9.25 -1.09 0
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141496 52883627 1 ClN2S2O5C14H19 AB2C2D5E14F19 -206.83 3.76 -9.72 -0.52 0
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141497 52884042 1 F2O2N3H13C16 A2B2C3D13E16 -116.9 3.6 -9.94 -0.7 0
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141498 52884080 1 FO3N4C20H21 AB3C4D20E21 -119.22 5.36 -9.58 -0.61 0
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141499 52884232 1 O3N4C16H20 A3B4C16D20 -9.36 8.13 -9.41 -1.17 0
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141500 52884828 1 O3C15H16 A3B15C16 -96.08 1.89 -9.44 -0.45 0
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141501 52884829 1 O3C16H18 A3B16C18 -102.55 1.9 -9.41 -0.46 1
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141502 52884919 1 SN5C18H24 AB5C18D24 65.02 5.22 0.0 0.0 0
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141503 52885209 1 ClOF3N7C13H13 ABC3D7E13F13 -93.1 5.94 -9.19 -1.02 -1
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141504 52885210 1 SO2N6H7C13 AB2C6D7E13 139.0 5.51 0.0 0.0 0
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141505 52885445 1 ON6C14H16 AB6C14D16 68.21 4.36 -8.95 -0.89 -1
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141506 52885446 1 FOH8N8C11 ABC8D8E11 121.88 2.87 0.0 0.0 0
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141507 52885447 1 FON8H9C11 ABC8D9E11 83.61 3.28 -9.74 -1.32 0
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141508 52885608 1 O3N5C12H13 A3B5C12D13 -15.62 4.79 -9.04 -0.44 0
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141509 52885755 1 SN3O3C18H21 AB3C3D18E21 -74.6 6.13 -9.49 -0.73 0
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141510 52885830 1 ClN3O4C13H16 AB3C4D13E16 -164.88 5.99 -9.03 -1.17 0
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141511 52885968 1 O3N4H16C18 A3B4C16D18 33.13 7.31 -9.56 -0.78 0
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141512 52886148 1 BrFOSN2H12C14 ABCDE2F12G14 -32.26 3.0 -8.95 -0.87 0