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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9880 94361 1 O11C12H22 A11B12C22 -501.96 3.39 -10.6 0.1 0
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9881 94379 2 OC6H8 AB6C8 -87.3 3.36 -9.31 0.42 0
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9882 94380 1 O4C15H32 A4B15C32 -246.78 4.3 -10.32 0.65 0
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9883 94406 1 NOC19H23 ABC19D23 0.52 3.22 -8.5 -0.39 0
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9884 94417 1 NO2H7C8 AB2C7D8 6.9 2.88 -9.53 -1.82 0
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9885 94447 2 SN4O4C24H29 AB4C4D24E29 -218.09 7.03 -8.67 -0.45 0
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9886 94456 1 NO7C19H19 AB7C19D19 -224.44 2.68 -8.96 -0.76 0
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9887 94484 1 N2O5H16C17 A2B5C16D17 -172.88 9.81 -9.36 -0.8 0
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9888 94490 1 O2N4C6H11 A2B4C6D11 -28.88 3.32 0.0 0.0 1
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9889 94493 1 PO5C29H51 AB5C29D51 -374.09 5.53 -8.57 0.18 0
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9890 94494 1 ClNOSH4C7 ABCDE4F7 -23.42 3.64 -9.32 -0.81 0
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9891 94502 1 ClOC10H19 ABC10D19 -99.69 3.97 -11.0 -0.22 0
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9892 94517 1 NO2C16H17 AB2C16D17 -68.86 8.04 -8.16 -0.5 0
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9893 94521 1 OC14H20 AB14C20 -24.53 2.46 -9.07 1.56 0
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9894 94522 1 OC14H20 AB14C20 -25.35 2.25 -9.12 1.56 0
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9895 94528 1 O5N8C24H30 A5B8C24D30 -135.04 5.42 -8.7 -1.06 0
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9896 94529 1 ClN2C7H9 AB2C7D9 1.93 0.89 -8.19 0.3 0
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9897 94530 1 ClNO2C15H22 ABC2D15E22 -65.64 10.38 -8.46 -0.81 0
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9898 94531 1 NO2C15H22 AB2C15D22 -41.53 2.35 0.0 0.0 1
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9899 94532 1 NOC12H19 ABC12D19 -35.67 0.84 -8.56 0.22 0
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9900 94536 1 Cl2N2C7H8 A2B2C7D8 -6.03 4.0 -8.31 -0.01 0
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9901 94568 1 O2C11H20 A2B11C20 -111.56 2.19 -10.05 0.26 0
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9902 94576 2 NOC3H6 ABC3D6 -47.94 2.71 -9.41 0.3 0
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9903 94577 1 NO4H11C18 AB4C11D18 -67.69 6.48 -8.66 -1.84 0
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9904 94579 2 OC6H10 AB6C10 -118.57 3.05 -9.7 1.0 0
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9905 94596 1 NCl3O3H6C8 AB3C3D6E8 -106.9 1.81 -9.4 -1.12 0
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9906 94605 1 NC17H19 AB17C19 50.09 2.59 -7.95 -0.16 0
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9907 94607 1 FCl2N2H11C13 AB2C2D11E13 -5.11 1.74 -9.05 -0.92 0
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9908 94609 3 OC2H4 AB2C4 -157.59 3.02 -10.56 0.58 0
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9909 94610 1 H3O4C9F13 A3B4C9D13 -789.44 1.94 -11.14 -1.56 0
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9910 94613 1 N2O2C27H32 A2B2C27D32 -40.61 3.05 -7.92 0.14 0
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9911 94615 1 O2C23H46 A2B23C46 -194.52 1.72 -10.51 0.88 0
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9912 94642 1 N2C22H23 A2B22C23 80.3 3.36 0.0 0.0 1
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9913 94663 1 OC11H26 AB11C26 -102.07 1.84 -9.7 2.4 0
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9914 94675 1 O3N6C10H10 A3B6C10D10 35.53 8.59 -9.91 -1.25 0
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9915 94712 1 NO2C8H9 AB2C8D9 -15.11 2.65 -8.75 -0.28 0
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9916 94713 1 NOC10H13 ABC10D13 -35.47 3.75 -9.62 0.05 0
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9917 94721 1 NO2H9C14 AB2C9D14 -9.23 3.25 -9.35 -1.86 0
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9918 94732 1 OSN4C5H10 ABC4D5E10 46.26 6.34 -8.5 -0.9 0
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9919 94754 1 OSH4N4C5 ABC4D4E5 52.82 9.31 -9.72 -1.8 0
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9920 94796 1 N3O3C4H7 A3B3C4D7 -103.7 2.27 -10.18 -0.99 0
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9921 94807 2 NSO3C6H6 ABC3D6E6 -218.97 2.2 -8.78 -0.71 0
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9922 94836 1 NSO2H5C7 ABC2D5E7 -22.36 5.13 -9.34 -1.05 0
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9923 94837 1 NOSC11H13 ABCD11E13 -11.89 4.49 -9.32 -0.66 0
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9924 94863 2 OC9H9 AB9C9 1.24 1.97 -9.6 0.15 0
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9925 94867 1 NO2C11H25 AB2C11D25 -128.53 3.09 -9.02 2.23 0
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9926 94893 1 NOC14H21 ABC14D21 -51.01 3.41 -9.24 -0.07 0
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9927 94897 1 NOC18H21 ABC18D21 -11.26 3.65 -9.33 0.04 0
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9928 94982 1 ISnH15C18 ABC15D18 81.6 3.03 -9.53 -0.99 0
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9929 94991 1 OSN3C10H15 ABC3D10E15 -27.74 1.03 -8.83 -0.9 0
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9930 94993 1 O2Cl3C6H11 A2B3C6D11 -129.67 1.43 -10.58 0.28 0
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9931 95000 2 NC11H13 AB11C13 59.26 4.08 -8.54 0.09 0
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9932 95017 1 AsFNH5O5C6 ABCD5E5F6 -125.95 5.0 -10.81 -1.6 0
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9933 95021 1 ClN5C15H20 AB5C15D20 110.61 4.02 -9.24 -0.14 0
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9934 95044 1 Cl2S2N3H11C14 A2B2C3D11E14 70.62 3.93 -8.95 -1.16 0
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9935 95056 1 NOC12H15 ABC12D15 -14.6 1.49 -8.75 0.04 0
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9936 95062 1 BrO3H5C8 AB3C5D8 -63.11 3.3 -9.35 -1.23 0
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9937 95070 1 NO3C20H39 AB3C20D39 -215.85 6.38 -10.36 0.2 0
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9938 95071 1 SO6C16H18 AB6C16D18 -205.31 7.16 -9.58 -0.47 0
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9939 95073 4 OH2C3 AB2C3 -131.12 4.62 -9.65 -1.29 0
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9940 95074 1 NO2C12H17 AB2C12D17 -96.57 2.37 -10.1 0.07 0
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9941 95089 2 O2C14H23 A2B14C23 -233.72 2.26 -10.43 -0.98 0
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9942 95151 4 OC7H13 AB7C13 -265.1 2.02 -10.77 -0.91 0
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9943 95181 1 O3C7H10 A3B7C10 -132.7 3.96 -10.04 -0.28 0
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9944 95182 1 SO8C24H42 AB8C24D42 -425.03 3.17 -9.31 -0.42 0
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9945 95184 1 OC10H12 AB10C12 10.31 3.33 -9.78 0.65 0
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9946 95188 1 ON5C6H7 AB5C6D7 10.32 4.66 -9.23 -0.41 0
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9947 95199 1 NO2H13C22 AB2C13D22 29.39 1.32 -9.1 -1.16 0
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9948 95201 1 OC5H6N6 AB5C6D6 22.72 5.03 -9.14 -0.48 0
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9949 95203 1 NSH13C18 ABC13D18 84.27 2.97 -7.58 -0.21 0
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9950 95244 1 ON2C17H20 AB2C17D20 -12.0 3.03 -9.33 0.18 0
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9951 95253 1 ON2C14H14 AB2C14D14 4.34 3.57 -9.49 -0.02 0
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9952 95257 2 NC2O2H4 AB2C2D4 -181.67 0.15 -10.82 0.29 0
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9953 95291 1 N2O3C6H6 A2B3C6D6 11.66 2.39 -9.93 -1.87 0
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9954 95314 2 BrC3H5 AB3C5 -25.42 3.55 -10.19 -0.41 0
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9955 95336 1 OH18C20 AB18C20 31.6 3.3 -9.37 -0.19 0
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9956 95343 1 ClOH11C14 ABC11D14 6.88 4.85 -9.71 -0.77 0
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9957 95362 1 O2C5H12 A2B5C12 -121.27 1.39 -10.05 2.46 0
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9958 95366 1 Br2C5H10 A2B5C10 -29.35 0.15 -10.54 -0.88 0
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9959 95408 1 O5C21H42 A5B21C42 -309.38 2.28 -10.22 0.36 0
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9960 95410 1 OC8H16 AB8C16 -50.31 2.8 -9.99 2.3 0
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9961 95426 1 NCl2O4C14H17 AB2C4D14E17 -182.8 1.27 -9.32 -0.69 0
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9962 95438 2 NOC6H7 ABC6D7 -60.16 6.96 -8.79 -0.32 0
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9963 95455 1 BrOC8H9 ABC8D9 -30.6 2.55 -9.7 -0.24 0
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9964 95494 1 OC13H16 AB13C16 -19.61 3.16 -9.45 -0.64 0
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9965 95500 1 O3C8H16 A3B8C16 -155.63 0.57 -9.95 2.05 0
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9966 95546 1 O3H12C14 A3B12C14 -82.8 5.36 -9.57 -0.7 0
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9967 95554 2 OC5H10 AB5C10 -131.82 2.24 -10.67 0.96 0
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9968 95576 1 BrO2C4H7 AB2C4D7 -95.21 2.0 -10.8 -0.9 0
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9969 95601 1 OC14H22 AB14C22 -75.65 3.68 -8.99 0.71 0
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9970 95652 1 O3C4H6 A3B4C6 -134.16 3.08 -11.04 0.46 0
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9971 95657 1 NO4C11H13 AB4C11D13 -156.31 5.19 -9.93 -0.43 0
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9972 95660 2 O2H5C6 A2B5C6 -122.71 7.7 -9.76 -1.88 0
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9973 95661 1 N2O5C18H22 A2B5C18D22 -194.26 6.46 -8.42 0.06 0
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9974 95672 1 NOC10H11 ABC10D11 -26.47 4.55 -9.72 -0.08 0
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9975 95676 1 ClO2C9H9 AB2C9D9 -82.61 4.98 -9.76 -0.36 0
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9976 95697 1 O5C13H16 A5B13C16 -203.49 3.27 -8.92 0.25 0
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9977 95736 1 FNO3C4H6 ABC3D4E6 -178.8 4.95 -10.61 -0.16 0
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9978 95746 1 NSO2H9C13 ABC2D9E13 -19.16 1.5 -9.12 -0.97 0
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9979 95786 1 O3H12C14 A3B12C14 -52.19 3.35 -8.98 -1.9 0