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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18423 540768 1 PF3O6C11H20 AB3C6D11E20 -513.33 4.53 -11.1 -0.3 0
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18424 540790 1 BO5H15C16 AB5C15D16 -219.38 3.52 -10.13 -1.27 0
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18425 540840 1 ClN2O3H9C12 AB2C3D9E12 21.38 8.1 -9.28 -1.57 0
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18426 540849 2 OC11H15 AB11C15 -106.0 2.45 -8.19 0.21 0
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18427 540850 1 NO7H19C20 AB7C19D20 -251.1 3.5 -9.05 -0.71 0
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18428 540880 1 BrF3N3O3C11H11 AB3C3D3E11F11 -246.39 5.19 -9.39 -0.7 0
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18429 540882 1 OSiC19H42 ABC19D42 -173.75 1.7 -8.67 1.24 0
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18430 540894 1 N2O5C19H22 A2B5C19D22 -153.02 6.02 -8.46 -0.68 0
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18431 540896 1 ClON6C13H13 ABC6D13E13 36.56 4.05 -8.86 -0.69 0
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18432 540899 1 O11C41H60 A11B41C60 -545.27 4.63 -9.4 0.4 0
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18433 540919 1 O5C21H32 A5B21C32 -275.23 1.7 -9.96 0.52 0
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18434 540921 1 O5H12C19 A5B12C19 -97.46 2.08 -9.25 -1.15 0
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18435 540922 1 NO5C22H31 AB5C22D31 -243.48 4.45 -10.15 0.32 0
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18436 540923 1 N2O7C17H18 A2B7C17D18 -234.28 2.47 -8.29 -1.17 0
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18437 540924 2 O5C12H13 A5B12C13 -343.63 3.29 -8.72 -0.7 0
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18438 540927 1 SbCl2C9H21 AB2C9D21 -48.89 6.17 -9.84 -0.76 0
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18439 540950 1 IO7C21H23 AB7C21D23 -261.72 2.09 -10.08 -1.22 0
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18440 540977 2 NO2C16H24 AB2C16D24 -176.53 2.4 -8.8 -0.8 0
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18441 540992 1 ClNO4H16C17 ABC4D16E17 -155.33 9.64 -9.08 -1.13 0
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18442 541024 1 O3C23H34 A3B23C34 -168.51 6.4 -9.76 -0.02 0
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18443 541028 1 O3C23H34 A3B23C34 -171.61 3.48 -9.12 0.85 0
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18444 541037 1 BrO9C25H35 AB9C25D35 -438.6 3.97 -10.22 -0.91 0
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18445 541038 1 ClNC30H46 ABC30D46 -73.57 1.87 -9.57 -0.18 0
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18446 541067 1 ClSN2O4C16H19 ABC2D4E16F19 -160.04 3.33 -8.52 -1.34 0
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18447 541071 1 O3C24H34 A3B24C34 -163.13 2.82 -8.56 0.86 0
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18448 541095 1 NSO6C23H25 ABC6D23E25 -184.26 10.39 -8.35 -0.7 0
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18449 541098 1 O3C29H48 A3B29C48 -223.75 3.93 -9.41 0.91 0
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18450 541099 1 ClSN2O2H15C18 ABC2D2E15F18 -25.15 3.1 -8.58 -1.06 0
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18451 541156 1 O6C31H46 A6B31C46 -314.45 4.28 -9.53 0.32 0
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18452 541157 1 O5C23H34 A5B23C34 -248.84 1.29 -9.97 0.75 0
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18453 541164 1 NO4C19H25 AB4C19D25 -155.96 3.13 -8.18 0.32 0
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18454 541184 1 N4O4H12C17 A4B4C12D17 32.64 6.99 -9.82 -2.15 0
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18455 541185 1 ClSF3N3O3H13C14 ABC3D3E3F13G14 -245.65 4.8 -9.34 -1.15 0
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18456 541190 1 SF3N6H9C13 AB3C6D9E13 -53.53 2.83 -8.74 -1.14 0
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18457 541194 1 FON4C19H21 ABC4D19E21 -7.7 4.96 -8.53 -0.67 0
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18458 541208 1 NO8C27H39 AB8C27D39 -385.25 3.07 -10.57 0.51 0
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18459 541211 1 O4C21H28 A4B21C28 -121.57 3.75 -9.0 -0.55 0
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18460 541285 1 OC27H46 AB27C46 -126.74 2.69 -9.37 1.44 0
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18461 541287 1 NO5C21H25 AB5C21D25 -164.75 5.08 -8.46 -0.05 0
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18462 541291 1 NO7C22H25 AB7C22D25 -207.84 10.08 -9.12 -0.54 0
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18463 541292 1 O2F12C15H18 A2B12C15D18 -717.08 2.24 -11.25 -0.13 0
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18464 541293 1 O21C32H46 A21B32C46 -926.7 7.68 -10.01 -0.18 0
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18465 541337 1 Br3O3H5C9 A3B3C5D9 -18.15 3.82 -9.63 -2.23 0
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18466 541361 1 O14H28C31 A14B28C31 -529.59 9.87 -9.49 -1.83 0
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18467 541364 1 NO2C28H43 AB2C28D43 -108.91 2.91 -9.09 -1.57 0
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18468 541385 1 O3C29H48 A3B29C48 -221.8 2.98 -9.64 0.78 0
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18469 541403 2 IO2C6H10 AB2C6D10 -181.01 1.94 -9.32 -1.55 0
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18470 541409 2 O4H9C17 A4B9C17 -148.06 0.92 -8.67 -2.2 0
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18471 541440 1 CuN2O6H12C14 AB2C6D12E14 -52.64 11.2 0.0 0.0 -2
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18472 541460 1 N5O5H13C17 A5B5C13D17 10.65 7.79 -9.15 -2.37 0
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18473 541500 1 N2C9H20 A2B9C20 -26.65 2.68 -8.42 3.06 0
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18474 541548 1 N2O6C9H14 A2B6C9D14 -258.95 2.52 -10.43 -1.0 0
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18475 541567 1 NOC10H19 ABC10D19 -67.72 1.38 -8.32 2.83 0
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18476 541568 1 NO9C14H17 AB9C14D17 -359.96 5.62 -10.94 -0.91 0
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18477 541572 1 NO2C7H13 AB2C7D13 -74.59 5.63 -9.46 0.11 0
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18478 541573 1 NOC11H21 ABC11D21 -42.38 1.21 -8.41 2.78 0
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18479 541575 1 ClN2O4C14H17 AB2C4D14E17 -182.33 9.5 -9.38 -1.01 0
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18480 541576 1 NPO3C8H18 ABC3D8E18 -204.56 6.1 -9.3 0.76 0
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18481 541580 1 NO3C6H11 AB3C6D11 -147.16 9.1 -10.19 0.38 0
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18482 541659 1 NO3C9H17 AB3C9D17 -160.47 1.92 -10.11 0.46 0
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18483 541660 1 NC6H13 AB6C13 3.27 1.69 -8.98 1.23 0
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18484 541664 1 N2O5C16H28 A2B5C16D28 -261.16 4.05 -9.96 -0.26 0
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18485 541669 1 N2O4C11H22 A2B4C11D22 -222.41 5.23 -9.83 0.82 0
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18486 541690 1 PSO3N4C12H29 ABC3D4E12F29 -216.37 2.68 -8.9 -0.32 0
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18487 541691 1 N2O5C18H24 A2B5C18D24 -173.04 4.33 -8.62 -0.21 0
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18488 541692 1 PSN2O4C10H23 ABC2D4E10F23 -254.75 1.27 -8.75 -0.5 0
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18489 541693 1 NOC11H19 ABC11D19 -63.9 2.57 -8.78 0.7 0
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18490 541703 2 NOC6H12 ABC6D12 -83.71 3.34 -8.6 0.73 0
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18491 541723 1 NOC15H25 ABC15D25 -76.25 3.45 -9.64 1.35 0
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18492 541724 1 OC2N2F3H3 AB2C2D3E3 -202.22 5.14 -11.18 -0.22 0
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18493 541738 1 SN2C3F5H7 AB2C3D5E7 -226.3 7.6 -9.81 -0.76 0
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18494 541741 2 NC6H14 AB6C14 -42.34 2.84 -8.89 3.15 0
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18495 541747 1 SN3O5C20H21 AB3C5D20E21 -149.31 4.37 -9.71 -1.54 0
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18496 541748 1 ON2S3C6H10 AB2C3D6E10 -26.75 3.29 -8.71 -1.51 0
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18497 541749 1 NSO2C17H17 ABC2D17E17 -24.7 4.76 -8.37 -0.99 0
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18498 541751 1 N4O4H12C13 A4B4C12D13 -88.48 6.53 -9.33 -0.92 0
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18499 541795 1 NOC11H15 ABC11D15 -34.37 4.33 -9.18 0.39 0
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18500 541807 2 N2C3H8 A2B3C8 41.05 1.88 -8.84 0.46 0
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18501 541838 1 FNO3C17H20 ABC3D17E20 -119.19 4.21 -8.77 -0.29 0
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18502 541896 1 N5O7C20H39 A5B7C20D39 -316.57 1.8 -9.21 0.19 0
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18503 541940 1 OSN2C7H12 ABC2D7E12 -27.15 6.43 -9.75 -0.82 0
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18504 541954 1 NO2C12H17 AB2C12D17 -85.06 4.45 -8.87 0.31 0
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18505 541955 1 NO2C12H17 AB2C12D17 -84.7 4.58 -8.74 0.1 0
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18506 541959 1 NO3C16H19 AB3C16D19 -102.54 4.33 -8.64 0.36 0
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18507 541971 1 F3N3O3C4H4 A3B3C3D4E4 -250.13 5.4 -11.04 -1.68 0
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18508 541972 1 O3C4H4N4 A3B4C4D4 -4.27 1.36 -11.24 -1.9 0
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18509 541984 1 N2O3C11H14 A2B3C11D14 -43.67 2.49 -8.71 -0.53 0
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18510 542041 2 ON2C4H4 AB2C4D4 -15.47 0.02 -9.95 -0.67 0
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18511 542043 1 NO3C17H19 AB3C17D19 -91.19 3.41 -8.93 -0.06 0
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18512 542044 1 NO3C14H21 AB3C14D21 -139.56 5.45 -8.69 0.22 0
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18513 542055 2 HC2O2N3 AB2C2D3 89.95 6.5 -10.09 -1.93 0
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18514 542100 1 NO3C16H17 AB3C16D17 -80.67 3.09 -9.01 0.02 0
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18515 542101 1 FN3O4H14C16 AB3C4D14E16 -77.35 7.35 -9.06 -0.96 0
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18517 542195 1 O2C7H14 A2B7C14 -103.67 2.6 -10.22 0.96 0
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18518 542197 1 OC12H26 AB12C26 -95.57 1.51 -9.65 2.31 0
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18519 542202 3 OC6H12 AB6C12 -198.48 2.0 -10.1 0.76 0
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18520 542226 1 O4C15H26 A4B15C26 -181.21 4.92 -9.9 0.75 0
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18521 542233 2 BrO2C5H8 AB2C5D8 -180.16 1.97 -9.88 -1.04 0
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18522 542241 1 SC9H14 AB9C14 1.0 4.42 -8.54 -0.85 0
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18523 542283 1 SiO2C15H34 AB2C15D34 -193.79 1.11 -9.67 1.49 0