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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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33614 7887211 1 O2S2N3C19H19 A2B2C3D19E19 -20.92 6.6 -8.61 -0.86 0
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33615 7887213 1 O3S3N4C16H16 A3B3C4D16E16 -53.0 2.26 -8.78 -1.0 0
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33616 7887219 1 FSO3H11C17 ABC3D11E17 -91.62 1.26 -8.84 -1.12 0
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33617 7887225 1 FNSO3H14C18 ABCD3E14F18 -108.58 5.81 -9.1 -1.47 0
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33618 7887240 1 OS2N3C19H21 AB2C3D19E21 16.19 1.34 -8.76 -0.98 0
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33619 7887242 1 OS2N3C19H21 AB2C3D19E21 16.9 0.62 -8.78 -1.02 0
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33620 7887245 1 NSO3C15H17 ABC3D15E17 -109.22 4.37 -9.05 -1.38 0
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33621 7887248 1 OS2N3C20H21 AB2C3D20E21 11.33 1.74 -8.54 -1.04 0
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33622 7887255 1 NSO3C16H19 ABC3D16E19 -109.66 4.27 -9.05 -1.4 0
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33623 7887256 1 N2S2O3H14C18 A2B2C3D14E18 -44.59 6.88 -9.03 -1.28 0
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33624 7887259 1 NSF2O3H11C17 ABC2D3E11F17 -149.54 5.45 -9.14 -1.55 0
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33625 7887267 1 NSO3H17C19 ABC3D17E19 -69.0 7.09 -9.07 -1.4 0
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33626 7887270 1 SN2O4H14C19 AB2C4D14E19 -86.44 2.24 -8.93 -1.27 0
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33627 7887272 1 FSN2O4H13C18 ABC2D4E13F18 -116.28 1.64 -8.91 -1.23 0
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33628 7887277 1 OF2N2S2H14C17 AB2C2D2E14F17 -62.92 1.89 -8.88 -1.23 0
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33629 7887281 1 O2S2N4C13H16 A2B2C4D13E16 -54.67 3.4 -9.0 -1.2 0
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33630 7887285 1 N3O3S3C15H19 A3B3C3D15E19 -89.0 5.14 -8.97 -1.17 0
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33631 7887286 1 SN2O3H14C19 AB2C3D14E19 -39.29 5.62 -8.87 -1.19 0
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33632 7887287 1 N3O3S3C15H19 A3B3C3D15E19 -88.54 7.97 -9.1 -1.33 0
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33633 7887291 1 NOCl2C17H21 ABC2D17E21 -59.48 2.43 -9.59 -0.61 0
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33634 7887293 2 NOSC9H9 ABCD9E9 -27.14 1.65 -8.81 -1.02 0
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33635 7887294 1 NS2O6H15C18 AB2C6D15E18 -191.35 2.72 -8.81 -1.12 0
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33636 7887296 1 SN2O4C18H20 AB2C4D18E20 -148.63 3.82 -8.79 -1.08 0
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33637 7887297 1 N3O3S3C16H21 A3B3C3D16E21 -95.89 3.34 -8.76 -0.97 0
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33638 7887298 1 SN2O3H12C18 AB2C3D12E18 1.78 1.99 -8.95 -1.29 0
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33639 7887301 1 N2O2S2H16C17 A2B2C2D16E17 -18.42 4.13 -8.74 -0.96 0
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33640 7887302 1 NSO3C18H21 ABC3D18E21 -112.69 4.45 -9.06 -1.4 0
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33641 7887310 2 OSN2C9H12 ABC2D9E12 -72.75 5.67 -9.19 -1.38 0
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33642 7887319 1 SN2O4C14H14 AB2C4D14E14 -137.71 3.04 -9.06 -1.43 1
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33643 7887323 1 ClO2N3C19H29 AB2C3D19E29 -83.42 10.97 0.0 0.0 0
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33644 7887325 1 SN2O5H14C17 AB2C5D14E17 -136.15 4.08 -9.12 -1.5 1
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33645 7887329 1 ClO2N3C19H29 AB2C3D19E29 -82.51 9.97 0.0 0.0 0
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33646 7887331 2 OSN2C7H9 ABC2D7E9 -65.12 5.11 -9.0 -1.16 0
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33647 7887332 1 O2S3N4H16C17 A2B3C4D16E17 -0.85 9.14 -8.43 -1.14 0
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33648 7887334 1 OS2N3C21H27 AB2C3D21E27 -40.98 1.56 -8.84 -1.07 0
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33649 7887335 1 NSO5H13C14 ABC5D13E14 -177.09 3.37 -8.89 -1.2 0
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33650 7887339 1 NSO5H15C19 ABC5D15E19 -129.24 4.87 -8.39 -1.47 0
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33651 7887346 1 SO5H12C16 AB5C12D16 -126.07 4.17 -8.98 -1.28 0
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33652 7887348 1 NSO3H17C19 ABC3D17E19 -75.7 4.27 -8.72 -1.42 0
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33653 7887350 1 NSO3H17C19 ABC3D17E19 -71.31 1.22 -8.88 -1.2 0
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33654 7887351 1 OS2F3N3H14C17 AB2C3D3E14F17 -116.7 5.81 -9.04 -1.24 0
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33655 7887354 1 SN2O4C15H16 AB2C4D15E16 -146.28 4.59 -9.08 -1.48 0
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33656 7887356 1 NSO3C16H19 ABC3D16E19 -111.26 4.82 -9.01 -1.39 0
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33657 7887358 1 NSO3C16H19 ABC3D16E19 -110.42 4.26 -9.05 -1.4 0
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33658 7887359 1 OS2N3C21H25 AB2C3D21E25 -5.45 3.34 -8.9 -1.13 0
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33659 7887362 1 SN3O5C19H19 AB3C5D19E19 -149.49 2.56 -8.88 -1.18 0
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33660 7887363 1 FS2O3N4H15C17 AB2C3D4E15F17 -30.92 8.13 -9.16 -1.46 0
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33661 7887365 1 SN4O4C13H20 AB4C4D13E20 -160.0 5.53 -8.8 -0.42 0
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33662 7887366 1 NSO3H17C20 ABC3D17E20 -60.66 4.72 -8.6 -1.41 0
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33663 7887370 1 FNSO3H14C18 ABCD3E14F18 -111.81 5.96 -8.9 -1.5 0
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33664 7887372 1 SN4O4C18H30 AB4C4D18E30 -185.23 3.9 -9.06 -0.51 0
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33665 7887378 1 OS2N4H16C18 AB2C4D16E18 46.65 8.19 -9.1 -1.32 0
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33666 7887385 1 NSO3C19H23 ABC3D19E23 -111.65 2.56 -8.91 -1.21 0
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33667 7887386 2 NOSC9H9 ABCD9E9 -15.36 1.97 -8.77 -1.0 0
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33668 7887392 1 SN2O5H14C18 AB2C5D14E18 -70.45 5.02 -9.04 -1.43 0
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33669 7887396 1 OS2N3C21H23 AB2C3D21E23 2.2 5.69 -8.82 -1.0 0
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33670 7887399 1 SN2O3H16C17 AB2C3D16E17 -41.87 5.31 -9.14 -1.52 0
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33671 7887406 1 OS2N3C18H25 AB2C3D18E25 -38.68 1.79 -8.85 -1.08 0
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33672 7887416 1 S2O3N5C18H21 A2B3C5D18E21 -89.68 8.42 -8.48 -0.7 0
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33673 7887426 1 OS2N4C17H24 AB2C4D17E24 -11.95 2.15 -8.69 -1.05 1
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33674 7887428 1 OS2N4C17H25 AB2C4D17E25 3.82 10.22 0.0 0.0 0
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33675 7887430 1 FON2S2H15C17 ABC2D2E15F17 -20.87 3.01 -8.81 -1.02 0
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33676 7887431 1 SO2N3C20H23 AB2C3D20E23 -46.51 6.25 -8.64 -0.8 0
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33677 7887444 1 OS3N4H16C18 AB3C4D16E18 55.76 4.17 -8.89 -1.09 0
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33678 7887459 1 S2O3N4C18H22 A2B3C4D18E22 -97.6 0.93 -8.94 -1.11 0
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33679 7887472 1 FOS2N3C19H20 ABC2D3E19F20 -41.44 3.8 -8.92 -1.15 0
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33680 7887474 1 FNSO3H16C19 ABCD3E16F19 -107.27 2.14 -8.94 -1.26 0
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33681 7887482 1 FO5H15C17 AB5C15D17 -209.93 4.86 -9.75 -0.76 0
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33682 7887485 1 FNO4H16C17 ABC4D16E17 -174.13 6.78 -8.58 -1.03 0
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33683 7887487 1 FNO4H16C17 ABC4D16E17 -166.59 5.65 -9.54 -0.95 0
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33684 7887499 1 FNO4C18H18 ABC4D18E18 -183.62 5.67 -8.44 -0.99 0
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33685 7887502 1 ClFNO4H15C17 ABCD4E15F17 -178.16 8.21 -9.4 -1.01 0
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33686 7887504 1 FNO5C18H18 ABC5D18E18 -208.66 2.76 -8.31 -0.66 0
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33687 7887507 1 FNO5H14C15 ABC5D14E15 -198.42 6.43 -9.39 -0.94 0
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33688 7887508 2 OSN2C10H11 ABC2D10E11 -36.62 3.08 -8.62 -1.19 0