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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147873 53787531 1 N4O5H8C11 A4B5C8D11 -22.79 5.25 -8.31 -1.24 1
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147874 53787532 1 N4O5H9C11 A4B5C9D11 -32.18 3.84 0.0 0.0 0
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147875 53787533 1 I4O6C21H26 A4B6C21D26 -226.1 9.29 -8.73 -1.83 0
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147876 53787534 1 N4O11C26H44 A4B11C26D44 -576.39 4.44 -10.14 -0.04 0
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147877 53787535 1 N2F3O4C40H53 A2B3C4D40E53 -320.55 9.17 -8.99 -1.43 0
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147878 53787536 1 ClSSiN2O4C23H35 ABCD2E4F23G35 -251.88 3.55 -9.31 -0.48 0
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147879 53787537 2 NOC19H36 ABC19D36 -206.58 5.61 -10.16 0.41 0
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147880 53787538 1 ON3C25H35 AB3C25D35 -44.43 5.19 -8.11 0.19 0
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147881 53787539 2 NSO2C6H6 ABC2D6E6 27.6 0.78 -9.18 -1.28 0
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147882 53787541 1 O5N8C32H46 A5B8C32D46 -179.22 10.99 -8.88 -1.16 0
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147883 53787542 1 FSO2N3C24H28 ABC2D3E24F28 -66.09 2.59 -8.52 -0.94 0
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147884 53787543 1 NC28H61 AB28C61 -133.62 1.73 -8.63 2.96 0
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147885 53787544 2 OC5H7 AB5C7 -93.18 1.53 -8.55 0.17 0
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147886 53787545 1 C5O5H8 A5B5C8 -221.22 3.67 -11.13 -0.47 0
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147887 53787546 1 NOC22H31 ABC22D31 -41.06 3.2 -8.42 0.17 0
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147888 53787547 1 SO4C12H22 AB4C12D22 -223.15 3.08 -8.97 0.41 0
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147889 53787548 1 BrClC17H18 ABC17D18 13.03 1.29 -9.37 -0.1 0
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147890 53787549 1 NO9C14H21 AB9C14D21 -375.83 3.85 -10.18 -0.5 1
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147891 53787550 1 NSO2C29H54 ABC2D29E54 -150.16 4.06 0.0 0.0 0
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147892 53787551 1 FSO9C28H39 ABC9D28E39 -438.74 6.74 -9.47 -0.4 0
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147893 53787552 1 NO2C15H21 AB2C15D21 -83.91 5.42 -9.22 -0.71 0
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147894 53787553 2 PO4C19H20 AB4C19D20 -380.14 4.68 -9.13 -0.09 0
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147895 53787554 1 S3N5O9H23C26 A3B5C9D23E26 -178.4 10.59 -8.44 -1.92 0
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147896 53787555 2 O2N3C16H23 A2B3C16D23 -137.38 5.54 -8.87 -0.14 0
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147897 53787556 1 NO3C21H25 AB3C21D25 -101.75 5.46 -8.99 0.0 0
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147898 53787557 1 O2F5C19H19 A2B5C19D19 -331.59 5.44 -9.36 -0.5 0
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147899 53787558 1 NO3C22H35 AB3C22D35 -147.3 4.36 -9.21 0.8 0
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147900 53787559 1 NH25C31 AB25C31 126.3 1.38 -8.0 -0.47 0
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147901 53787560 1 ClNO3C15H16 ABC3D15E16 -95.64 4.65 -9.85 -0.22 0
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147902 53787561 1 N2O3C27H38 A2B3C27D38 -95.1 4.17 -8.45 -0.24 0
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147903 53787562 1 ClN2O6C22H29 AB2C6D22E29 -232.08 3.97 -9.18 -1.16 1
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147904 53787564 1 NPO8C44H85 ABC8D44E85 -527.92 11.76 0.0 0.0 0
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147905 53787565 1 ClF2N3O3C19H20 AB2C3D3E19F20 -172.06 11.18 -8.99 -1.19 0
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147906 53787566 1 N2O3C23H28 A2B3C23D28 -113.69 2.56 -9.44 0.06 0
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147907 53787567 1 ClN2O3H9C13 AB2C3D9E13 9.36 4.73 -8.6 -1.68 0
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147908 53787568 1 C11H18 A11B18 -1.17 0.96 -9.53 1.39 0
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147909 53787569 1 C11H18 A11B18 -1.37 1.01 -9.57 1.36 0
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147910 53787570 1 NOSC19H21 ABCD19E21 10.43 4.45 -8.52 -0.69 0
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147911 53787571 1 P2Cl4C6O9H12 A2B4C6D9E12 -584.29 3.86 -10.48 -0.55 0
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147912 53787572 1 ClOF3N3H15C19 ABC3D3E15F19 -127.3 8.56 -8.95 -0.96 0
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147913 53787573 1 N2O4C17H20 A2B4C17D20 -116.52 4.33 -8.37 -0.3 1
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147914 53787574 1 NOC18H40 ABC18D40 -88.82 1.94 0.0 0.0 0
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147915 53787575 2 NOH6C7 ABC6D7 57.58 3.02 -9.82 -1.06 0
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147916 53787576 1 PN3O5C10H22 AB3C5D10E22 -305.52 1.49 -9.72 0.47 0
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147917 53787577 1 ClS2N3O6C23H28 AB2C3D6E23F28 -220.42 14.51 -8.26 -0.98 0
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147918 53787578 1 N2O3C19H20 A2B3C19D20 -17.35 2.25 -9.32 -0.62 0
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147919 53787579 2 O5C13H13 A5B13C13 -356.09 6.18 -8.79 -0.23 0
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147920 53787580 1 ClO2C15H19 AB2C15D19 -77.58 3.22 -8.65 0.14 0
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147921 53787581 1 SO4H10C15 AB4C10D15 -80.46 5.31 -9.2 -1.68 0
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147922 53787582 1 O2N5C27H31 A2B5C27D31 -31.21 6.95 -8.98 -0.44 0
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147923 53787583 1 SN2O2F3H13C15 AB2C2D3E13F15 -173.13 3.49 -8.26 -0.89 0
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147924 53787584 1 SN2O5C21H26 AB2C5D21E26 -154.25 10.16 -9.19 -0.24 0
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147925 53787585 1 N2O2H14C17 A2B2C14D17 -5.34 1.64 -8.84 -1.2 0
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147926 53787586 1 ClON3C14H16 ABC3D14E16 3.7 1.52 -9.49 -0.33 0
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147927 53787587 1 ClNOSH16C18 ABCDE16F18 33.06 4.3 -8.43 -1.21 0
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147928 53787588 1 S2N6O9H24C28 A2B6C9D24E28 -240.65 4.97 -9.44 -1.68 0
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147929 53787589 1 SN3O3C14H19 AB3C3D14E19 -66.68 5.54 -8.35 -0.57 0
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147930 53787590 1 FCl2O2N3C22H26 AB2C2D3E22F26 -109.04 3.27 -8.57 -0.4 0
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147931 53787591 2 NOC8H8 ABC8D8 -57.96 3.0 -8.9 -0.42 0
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147932 53787592 1 SN5O7H17C18 AB5C7D17E18 -147.59 6.3 -9.66 -1.58 0
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147933 53787593 2 N3O3C5H10 A3B3C5D10 -274.07 4.13 -10.13 0.2 0
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147934 53787594 1 O2F3N3C23H32 A2B3C3D23E32 -237.11 1.38 -10.05 0.01 0
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147935 53787595 1 NO4C14H17 AB4C14D17 -89.54 4.03 -8.77 -0.17 0
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147936 53787596 1 O3C15H22 A3B15C22 -122.11 3.91 -9.52 -0.62 0
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147937 53787597 1 ClNO3C10H12 ABC3D10E12 -128.61 2.49 -9.3 -0.42 0
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147938 53787598 1 ClNSSiO4C22H32 ABCDE4F22G32 -199.98 4.49 -8.78 -1.98 0
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147939 53787599 1 NOC18H23 ABC18D23 -20.98 1.09 -9.11 0.42 0
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147940 53787600 1 ClNSF3O3H13C17 ABCD3E3F13G17 -153.96 5.54 -8.33 -1.58 0
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147941 53787601 1 OF3H11C12 AB3C11D12 -149.22 2.8 -10.1 -1.25 0
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147942 53787602 1 NSO6H11C15 ABC6D11E15 -162.85 3.34 -10.73 -1.67 0
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147943 53787604 1 O2N3C19H23 A2B3C19D23 -36.47 1.6 -8.02 -0.1 1
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147944 53787605 1 NH6F20C27 AB6C20D27 -763.43 2.76 0.0 0.0 0
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147945 53787606 1 ClSN3O4H18C20 ABC3D4E18F20 -17.3 1.78 -9.29 -2.06 0
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147946 53787607 1 NO4C21H33 AB4C21D33 -174.85 4.69 -9.19 0.41 0
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147947 53787608 4 NOC3H6 ABC3D6 -172.13 1.11 -9.61 -0.32 0
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147948 53787609 1 O2C5H10 A2B5C10 -23.11 1.8 -9.34 -0.07 0
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147949 53787610 1 NO4C8H13 AB4C8D13 -175.61 5.02 -9.89 0.51 0
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147950 53787611 1 NOC20H25 ABC20D25 -18.04 2.78 -8.6 0.31 0
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147951 53787612 1 SF2N4O4C25H28 AB2C4D4E25F28 -145.84 4.68 -9.28 -1.27 0
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147952 53787613 1 SiO4C25H44 AB4C25D44 -260.33 6.26 -9.67 -0.66 0
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147953 53787614 1 O3C25H46 A3B25C46 -197.16 3.83 -9.39 0.56 0
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147954 53787615 1 ClSN6O6C20H25 ABC6D6E20F25 -183.0 9.88 -8.78 -1.08 0
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147955 53787616 1 S2O7H14C20 A2B7C14D20 -206.86 2.57 -8.98 -1.25 0
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147956 53787617 1 O3C36H56 A3B36C56 -204.86 1.99 -9.51 -0.13 0
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147957 53787618 2 NO2C9H16 AB2C9D16 -220.63 4.5 -9.42 0.19 0
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147958 53787619 1 NC8H13 AB8C13 14.19 4.1 -10.19 0.78 0
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147959 53787620 1 NOC22H27 ABC22D27 17.05 2.4 -8.78 -0.46 0
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147960 53787621 3 OC4H6 AB4C6 -115.42 1.82 -8.51 0.15 0
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147961 53787622 1 BrN4C14H15 AB4C14D15 97.89 3.91 -8.88 -1.0 0
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147962 53787623 1 O2H22C23 A2B22C23 -29.78 3.93 -9.23 -0.84 0
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147963 53787624 1 ClN4O4C15H19 AB4C4D15E19 -114.0 5.96 -9.24 -0.76 0
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147964 53787625 1 ClO3N4C17H23 AB3C4D17E23 -72.01 4.12 -8.41 -0.8 0
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147965 53787626 1 NOC17H21 ABC17D21 -35.98 4.35 -8.83 0.25 0
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147966 53787627 1 N2O3H10C13 A2B3C10D13 -60.98 4.44 -9.48 -0.89 0
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147967 53787628 1 N3O3C20H31 A3B3C20D31 -149.99 2.53 -8.9 0.04 0
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147968 53787629 2 N2C11H15 A2B11C15 63.97 2.44 -8.12 0.49 0
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147969 53787630 1 ON3C24H33 AB3C24D33 -20.61 3.05 -7.97 0.05 0
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147970 53787631 1 OC14H24 AB14C24 -71.77 2.47 -8.87 0.92 0
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147971 53787632 1 S2N4O8C25H36 A2B4C8D25E36 -296.26 5.36 -8.97 -0.36 0
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147972 53787633 2 S2O3C9H12 A2B3C9D12 -269.56 7.13 -8.68 -1.38 0