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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147973 53787634 1 OSN2H16C23 ABC2D16E23 97.09 1.7 -8.34 -1.25 0
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147974 53787635 1 NC8H15 AB8C15 7.2 2.81 -9.68 0.82 0
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147975 53787636 1 NO2C29H35 AB2C29D35 -38.88 8.08 -9.64 -1.06 0
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147976 53787637 1 NO6C17H17 AB6C17D17 -127.46 6.69 -9.43 -1.1 0
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147977 53787638 1 SN4O5C35H52 AB4C5D35E52 -179.91 1.62 -8.8 -0.63 0
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147978 53787640 2 NOC15H19 ABC15D19 -50.42 4.36 -8.99 -0.99 0
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147979 53787641 1 N3O6C26H35 A3B6C26D35 -260.77 3.82 -9.49 -0.94 0
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147980 53787642 1 NC39H81 AB39C81 -176.84 1.56 -9.04 3.55 0
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147981 53787643 1 S2N5O7C17H17 A2B5C7D17E17 -161.14 4.47 -8.93 -1.02 0
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147982 53787644 1 Cl2N2O3H18C25 A2B2C3D18E25 -63.02 0.94 -8.46 -1.14 0
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147983 53787645 1 SF3N3O4C22H24 AB3C3D4E22F24 -275.7 3.37 -8.92 -1.11 0
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147984 53787646 2 OC6H10 AB6C10 -78.17 5.1 -9.43 0.82 0
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147985 53787647 1 NO3C25H33 AB3C25D33 -105.3 1.44 -8.52 0.18 0
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147986 53787648 1 O2N3C15H17 A2B3C15D17 -59.97 6.29 -9.68 -1.12 0
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147987 53787649 1 NSO5C19H35 ABC5D19E35 -273.54 3.53 -8.99 -0.07 0
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147988 53787650 1 N2S3H12C16 A2B3C12D16 138.13 4.22 -9.05 -1.04 0
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147989 53787651 1 N2O3H24C29 A2B3C24D29 20.33 1.51 -8.34 -0.15 0
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147990 53787652 1 O2F5H13C17 A2B5C13D17 -303.07 9.3 -10.26 -1.34 0
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147991 53787653 1 F2N4C19H24 A2B4C19D24 -44.83 4.43 -8.18 -0.06 0
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147992 53787654 1 ON8C26H30 AB8C26D30 123.01 7.36 -9.8 -1.1 0
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147993 53787655 1 NO2C13H17 AB2C13D17 -58.86 2.15 -9.56 0.12 0
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147994 53787656 1 O2N5C23H31 A2B5C23D31 19.05 2.33 -8.22 -0.68 0
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147995 53787657 1 FNOC8H10 ABCD8E10 -69.93 2.78 -9.1 -0.17 0
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147996 53787658 1 ClON3C23H26 ABC3D23E26 0.86 1.72 -8.65 -0.29 0
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147997 53787659 1 OF6H10C17 AB6C10D17 -255.37 3.42 -9.68 -0.58 0
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147998 53787660 1 NO2F3H14C16 AB2C3D14E16 -170.5 0.94 -10.45 -1.22 0
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147999 53787661 1 N2O5H26C28 A2B5C26D28 -112.78 7.19 -9.03 -0.87 0
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148000 53787662 1 NOSCl2H7C13 ABCD2E7F13 9.24 6.68 -8.52 -1.65 0
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148001 53787663 1 ClNO4H16C17 ABC4D16E17 -89.1 1.99 -9.26 -0.57 0
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148002 53787664 1 NSO6C22H31 ABC6D22E31 -253.25 6.17 -8.53 -0.94 0
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148003 53787665 6 C6H11 A6B11 -65.06 0.51 -9.35 1.33 0
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148004 53787666 1 SN4O8C26H34 AB4C8D26E34 -283.29 10.97 -9.59 -0.69 0
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148005 53787667 1 ClNO2C22H30 ABC2D22E30 -96.23 2.35 -8.62 -0.48 0
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148006 53787668 1 NO3C12H15 AB3C12D15 -98.32 5.12 -9.7 -0.65 0
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148007 53787669 2 ON5C17H26 AB5C17D26 -2.39 5.18 -7.19 -0.24 0
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148008 53787670 1 PSN3O6C30H34 ABC3D6E30F34 -248.97 7.47 -9.06 -0.75 0
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148009 53787671 1 O7N8C47H62 A7B8C47D62 -250.66 6.15 -9.07 -0.33 0
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148010 53787672 1 FOC24H35 ABC24D35 -108.79 3.0 -8.48 0.42 0
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148011 53787673 1 N2S2O5C37H48 A2B2C5D37E48 -159.15 8.12 -8.2 -0.94 0
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148012 53787674 2 NOC12H15 ABC12D15 -33.19 1.81 -7.77 0.03 0
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148013 53787675 1 SN3O7C14H23 AB3C7D14E23 -304.87 4.53 -9.24 -0.21 0
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148014 53787676 1 ClO2N3S3H18C24 AB2C3D3E18F24 39.33 9.06 -8.66 -1.56 0
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148015 53787677 1 Cl2F3C5H5 A2B3C5D5 -172.03 1.13 -10.38 -0.21 0
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148016 53787678 1 PO4C11H17 AB4C11D17 -236.72 3.0 -9.47 -0.1 0
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148017 53787679 1 FNO3C27H30 ABC3D27E30 -104.45 4.47 -8.64 -0.28 0
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148018 53787680 1 NS2C11H15 AB2C11D15 28.13 6.27 -8.7 -0.51 0
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148019 53787681 1 ClF3N3O7H17C21 AB3C3D7E17F21 -316.45 6.11 -9.23 -1.09 0
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148020 53787682 1 SF2O4N6C26H38 AB2C4D6E26F38 -247.99 2.18 -8.48 -0.68 0
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148021 53787683 1 N3O3C17H25 A3B3C17D25 -65.17 3.43 -8.32 -0.17 0
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148022 53787684 1 OF2N4C20H22 AB2C4D20E22 -2.22 2.07 -8.93 -0.41 0
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148023 53787685 2 NOC4H5 ABC4D5 -60.43 5.13 -9.62 -1.06 0
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148024 53787686 1 NF3O3C21H22 AB3C3D21E22 -261.7 9.24 -8.75 -0.52 0
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148025 53787687 1 BrSN2O2C16H21 ABC2D2E16F21 -57.68 4.4 -9.5 -0.71 1
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148026 53787688 1 N2O3H15C18 A2B3C15D18 -47.36 11.77 0.0 0.0 0
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148027 53787689 1 S2N3O3C15H15 A2B3C3D15E15 -30.0 4.68 -8.91 -0.9 0
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148028 53787690 2 O3C8H11 A3B8C11 -224.73 0.66 -10.59 -0.46 1
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148029 53787691 1 ClNO3C19H41 ABC3D19E41 -217.76 2.22 0.0 0.0 0
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148030 53787692 2 PC3O6H7 AB3C6D7 -656.8 5.94 -10.96 -0.5 0
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148031 53787693 1 NC27H35 AB27C35 55.34 6.3 -9.28 -0.9 0
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148032 53787694 1 N2O5C27H44 A2B5C27D44 -273.55 3.34 -9.62 0.41 0
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148033 53787695 1 NO6C23H25 AB6C23D25 -160.54 2.87 -8.32 -0.98 0
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148034 53787696 1 S2O3C12H16 A2B3C12D16 -119.15 3.5 -8.98 -0.97 0
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148035 53787697 1 NOC16H25 ABC16D25 -52.34 2.64 -8.5 0.25 0
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148036 53787698 2 NO2H6C7 AB2C6D7 -80.83 6.23 -9.48 -1.38 0
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148037 53787699 1 NF2O2H11C12 AB2C2D11E12 -132.59 1.74 -8.58 -0.36 0
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148038 53787700 1 NS2O7H17C21 AB2C7D17E21 -202.25 4.21 -9.18 -1.08 0
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148039 53787701 2 C11H16 A11B16 -2.45 0.62 -9.13 0.38 1
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148040 53787702 1 NO4C9H18 AB4C9D18 -182.81 3.93 0.0 0.0 0
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148041 53787703 1 N3O5H9C10 A3B5C9D10 -79.35 3.2 -8.86 -1.49 0
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148042 53787704 1 O2N3C19H21 A2B3C19D21 -3.26 2.28 -8.34 -0.65 0
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148043 53787705 1 ClF2C34H41 AB2C34D41 -102.11 5.03 -8.98 -0.48 0
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148044 53787706 1 OC12H14 AB12C14 -5.09 1.78 -8.94 -0.42 0
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148045 53787707 1 NC12H17 AB12C17 22.07 1.69 -9.75 -0.01 0
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148046 53787708 1 ClFSN2O2C14H14 ABCD2E2F14G14 -95.59 2.59 -9.59 -1.37 0
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148047 53787709 1 O2C9H16 A2B9C16 -106.36 1.88 -10.74 0.76 0
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148048 53787710 1 SN2O5H12C13 AB2C5D12E13 -151.23 5.73 -8.7 -1.32 0
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148049 53787711 2 O2C21H37 A2B21C37 -230.83 8.91 -8.43 0.68 0
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148050 53787712 1 ON4H6C8 AB4C6D8 92.71 1.32 -9.47 -1.12 0
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148051 53787713 12 CH2 AB2 -47.99 0.02 -10.21 3.73 0
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148052 53787714 1 SN4O4C20H22 AB4C4D20E22 -118.63 4.36 -8.53 -0.74 0
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148053 53787715 1 O3N4H12C19 A3B4C12D19 91.5 1.82 -9.42 -1.76 0
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148054 53787716 1 NSO4C18H29 ABC4D18E29 -202.11 5.3 -8.97 -0.51 0
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148055 53787717 2 OC3H4 AB3C4 -47.83 1.06 -9.4 0.39 0
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148056 53787718 1 FNO2C29H38 ABC2D29E38 -115.58 4.27 -8.93 -0.75 0
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148057 53787719 2 O4H26C27 A4B26C27 -217.57 4.11 -8.59 -0.51 0
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148058 53787720 1 N3C16H35 A3B16C35 -42.4 4.47 -8.21 2.97 0
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148059 53787721 1 SN3O6C24H25 AB3C6D24E25 -56.46 12.39 -8.98 -1.35 0
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148060 53787722 1 SN4O4H8C12 AB4C4D8E12 11.25 7.52 -10.2 -2.26 0
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148061 53787723 1 O2N3C16H21 A2B3C16D21 -58.86 5.5 -8.65 -1.27 0
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148062 53787724 2 NO3C7H12 AB3C7D12 -253.49 4.05 -7.8 0.27 0
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148063 53787725 1 BrNOC21H22 ABCD21E22 19.33 2.37 -8.76 -0.35 0
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148064 53787726 1 NO4C9H9 AB4C9D9 -110.06 4.29 -9.32 -0.81 0
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148065 53787727 1 N2O5C25H30 A2B5C25D30 -156.53 4.06 -8.76 -0.06 0
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148066 53787728 1 ON2C6H14 AB2C6D14 -46.83 3.67 -9.08 0.92 0
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148067 53787729 1 NOSC8H17 ABCD8E17 -69.82 3.87 -8.88 0.14 0
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148068 53787730 1 N2O9C11H18 A2B9C11D18 -417.37 3.63 -9.84 -0.33 0
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148069 53787731 2 NO2C15H19 AB2C15D19 -154.17 3.25 -9.21 -0.65 0
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148070 53787732 1 O3N4H26C27 A3B4C26D27 10.08 3.35 -9.3 -1.13 0
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148071 53787733 1 FN3O5C10H12 AB3C5D10E12 -229.42 6.62 -9.96 -1.34 0
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148072 53787734 1 ClOC6H11 ABC6D11 -69.13 2.5 -10.2 0.26 0