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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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67926 46507441 1 FOSN4H17C21 ABCD4E17F21 66.95 1.65 -9.11 -1.17 0
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67927 46507444 1 ClOSN5H20C23 ABCD5E20F23 89.11 4.86 -8.78 -1.13 0
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67928 46507447 1 SN4C20H20 AB4C20D20 97.18 4.91 -8.72 -1.16 0
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67929 46507449 1 SN2O3C25H26 AB2C3D25E26 -67.77 5.63 -9.35 -0.81 0
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67930 46507450 1 SF2N2O3H16C21 AB2C2D3E16F21 -140.55 4.29 -9.58 -1.0 0
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67931 46507452 1 O2N3C21H21 A2B3C21D21 -18.23 4.35 -8.57 -0.67 0
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67932 46507453 1 ClOSF2N4H11C19 ABCD2E4F11G19 31.08 6.18 -9.26 -1.29 0
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67933 46507455 1 SO2N4C24H24 AB2C4D24E24 66.98 4.77 -8.96 -1.11 0
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67934 46507463 1 BrFOSN4H16C21 ABCDE4F16G21 71.75 5.71 -8.96 -1.16 0
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67935 46507466 1 SO2N4H22C23 AB2C4D22E23 67.11 6.32 -8.87 -1.17 0
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67936 46507468 1 FN2O3H15C18 AB2C3D15E18 -97.27 5.47 -8.35 -0.67 0
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67937 46507471 1 ClN2O3H15C18 AB2C3D15E18 -56.41 3.53 -8.35 -0.75 0
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67938 46507475 1 ClN2O3H15C18 AB2C3D15E18 -56.29 4.31 -8.37 -0.76 0
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67939 46507476 1 ClO3N5H22C23 AB3C5D22E23 -52.81 4.79 -8.99 -0.67 0
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67940 46507477 1 S2N3O3H23C24 A2B3C3D23E24 -10.84 7.59 -8.26 -1.5 1
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67941 46507478 1 O2N3C15H16 A2B3C15D16 -26.52 6.81 0.0 0.0 1
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67942 46507480 1 N2O2H19C21 A2B2C19D21 12.2 8.05 0.0 0.0 1
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67943 46507481 1 FON2H18C20 ABC2D18E20 -10.17 5.82 0.0 0.0 0
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67944 46507483 1 SN2O5H20C23 AB2C5D20E23 -121.51 4.38 -8.93 -0.83 0
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67945 46507486 1 SN2O5H20C23 AB2C5D20E23 -116.07 4.16 -8.96 -0.84 0
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67946 46507487 1 FSN2O4H19C22 ABC2D4E19F22 -131.07 5.56 -9.15 -0.86 0
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67947 46507490 2 ON2C11H13 AB2C11D13 -24.23 5.22 -8.62 -0.78 0
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67948 46507491 1 ClO2N4H21C23 AB2C4D21E23 8.7 6.38 -8.5 -0.73 0
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67949 46507493 1 ClO2S2N3H22C27 AB2C2D3E22F27 15.42 3.8 -8.76 -1.56 0
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67950 46507495 1 O2S2F3N3H20C26 A2B2C3D3E20F26 -137.73 7.48 -8.54 -1.32 0
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67951 46507496 1 O2S2F3N3H22C27 A2B2C3D3E22F27 -141.73 5.0 -8.65 -1.43 0
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67952 46507498 1 S2N4O4H28C29 A2B4C4D28E29 -68.24 2.45 -8.71 -1.58 0
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67953 46507500 1 S2O3N4H28C29 A2B3C4D28E29 -31.12 6.69 -8.59 -1.46 0
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67954 46507502 1 F2O2S3N4H14C22 A2B2C3D4E14F22 -48.79 6.75 -8.8 -1.6 0
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67955 46507503 1 ClFO2S3N4H14C22 ABC2D3E4F14G22 -12.76 5.81 -8.7 -1.5 0
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67956 46507505 1 ON2S2F3H13C23 AB2C2D3E13F23 -60.56 2.28 -8.57 -1.5 0
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67957 46507508 1 OF2N2S2H14C23 AB2C2D2E14F23 -14.01 2.46 -8.59 -1.51 0
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67958 46507509 1 ClOF2N2S2H13C23 ABC2D2E2F13G23 -22.22 2.04 -8.6 -1.52 0
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67959 46507511 1 ClO2S2N3H20C22 AB2C2D3E20F22 -15.96 4.81 -8.59 -1.55 0
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67960 46507512 1 Cl2O2S2N3H19C22 A2B2C2D3E19F22 -20.45 3.64 -8.58 -1.48 0
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67961 46507513 1 ClO2S2N3H20C22 AB2C2D3E20F22 -15.92 3.66 -8.51 -1.48 0
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67962 46507514 1 Cl2O2S2N3H17C21 A2B2C2D3E17F21 -14.84 4.11 -8.5 -1.42 0
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67963 46507516 1 O2S2F3N3H18C22 A2B2C3D3E18F22 -161.55 5.47 -8.7 -1.66 0
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67964 46507517 1 ClO2S2N3H20C22 AB2C2D3E20F22 -14.2 4.9 -8.6 -1.56 0
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67965 46507518 1 Cl2O2S2N3H19C22 A2B2C2D3E19F22 -17.94 4.27 -8.55 -1.48 0
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67966 46507520 1 O2S2F3N3H18C23 A2B2C3D3E18F23 -150.82 6.28 -8.51 -1.42 0
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67967 46507522 1 ON2S2F3H13C23 AB2C2D3E13F23 -62.11 1.71 -8.68 -1.59 0
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67968 46507523 2 FNOSH8C12 ABCDE8F12 -50.15 1.97 -8.57 -1.48 0
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67969 46507525 1 Cl2O2S2N3H17C22 A2B2C2D3E17F22 -4.72 3.99 -8.54 -1.45 0
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67970 46507526 1 ClSN3O3H24C26 ABC3D3E24F26 -26.78 3.79 -8.85 -1.06 0
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67971 46507529 1 SN3O3C27H27 AB3C3D27E27 -27.41 6.52 -8.72 -0.95 0
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67972 46507530 1 ClSO3N4H21C24 ABC3D4E21F24 18.62 3.03 -9.07 -1.33 0
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67973 46507533 1 SN2O2H10C12 AB2C2D10E12 6.81 1.19 -8.65 -1.01 0
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67974 46507534 1 FO2N3H10C11 AB2C3D10E11 -45.9 2.31 -9.91 -1.33 0
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67975 46507535 1 OF2N5H7C11 AB2C5D7E11 8.72 6.97 -9.92 -1.99 0
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67976 46507536 1 ClO2N3H22C25 AB2C3D22E25 -18.21 6.06 -8.73 -0.61 0
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67977 46507537 1 FSN2O4H21C22 ABC2D4E21F22 -117.79 5.82 -9.09 -0.7 0
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67978 46507538 1 ClN3O3H22C25 AB3C3D22E25 -49.05 0.99 -8.38 -0.88 0
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67979 46507539 1 FSN2O4H21C23 ABC2D4E21F23 -141.33 4.09 -9.03 -0.82 0
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67980 46507540 1 SF2N2O4H18C22 AB2C2D4E18F22 -178.38 5.83 -9.16 -0.97 0
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67981 46507541 1 FSN2O4H19C22 ABC2D4E19F22 -131.52 3.88 -9.07 -0.84 0
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67982 46507543 1 ClN3O4H24C26 AB3C4D24E26 -88.54 1.93 -8.24 -0.77 0
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67983 46507544 1 SN2O6H18C22 AB2C6D18E22 -139.91 4.79 -8.84 -0.75 0
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67984 46507545 1 FSN2O5H17C22 ABC2D5E17F22 -158.35 4.92 -8.97 -0.92 0
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67985 46507547 1 FSN2O4H21C23 ABC2D4E21F23 -135.42 4.41 -9.06 -0.84 0
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67986 46507548 1 FSN2O4H21C23 ABC2D4E21F23 -136.2 4.52 -9.06 -0.88 0
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67987 46507552 1 ClSO2N4C18H19 ABC2D4E18F19 0.11 7.97 -8.71 -0.55 0
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67988 46507553 1 SN2O5H18C22 AB2C5D18E22 -111.7 5.46 -9.0 -0.87 0
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67989 46507554 1 ClO2N4H27C28 AB2C4D27E28 -8.38 4.37 -8.33 -0.74 0
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67990 46507560 1 OSN3H11C13 ABC3D11E13 27.21 6.82 -9.13 -0.83 0
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67991 46507561 1 ClSN2O5H21C24 ABC2D5E21F24 -139.35 6.01 -9.26 -1.48 0
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67992 46507562 1 N4O4C17H20 A4B4C17D20 -69.56 3.84 -9.07 -0.73 0
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67993 46507563 1 BrO2N4H21C22 AB2C4D21E22 19.0 7.34 -8.63 -0.81 0
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67994 46507567 1 OSN4C15H18 ABC4D15E18 42.81 8.05 -8.25 -0.97 0
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67995 46507569 1 N2O3C13H14 A2B3C13D14 -67.34 9.23 -8.89 -0.37 0
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67996 46507573 1 SN3O3C15H15 AB3C3D15E15 -38.42 6.33 -8.97 -1.02 0
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67997 46507574 1 N5C14H17 A5B14C17 67.82 1.7 -8.67 0.15 0
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67998 46507575 1 ON4C10H10 AB4C10D10 59.19 1.77 -8.88 -0.68 0
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67999 46507578 1 Cl2N2O3H12C16 A2B2C3D12E16 -45.88 2.68 -9.24 -0.66 0
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68000 46507580 1 BrN2O3H13C16 AB2C3D13E16 -26.71 3.93 -9.09 -0.45 0