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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1111 3801 1 Cl4N4C25H27 A4B4C25D27 38.66 4.26 0.0 0.0 1
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1112 3802 1 N5C18H21 A5B18C21 78.35 1.86 -8.35 -0.68 0
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1113 3804 1 NO15C42H69 AB15C42D69 -695.33 4.96 -9.14 -0.24 0
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1114 3805 1 NO16C45H73 AB16C45D73 -759.05 4.6 -8.58 0.16 0
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1115 3806 1 O3H6C10 A3B6C10 -69.5 0.66 -9.74 -2.05 0
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1116 3807 1 O53C108H174 A53B108C174 -2366.95 3.07 -8.26 -0.07 0
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1117 3809 1 N3O3C13H19 A3B3C13D19 -85.18 9.26 -8.65 -0.28 0
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1118 3810 1 N3O3C14H21 A3B3C14D21 -85.1 3.07 -8.42 -0.03 0
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1119 3812 1 N3O3C17H27 A3B3C17D27 -100.11 8.65 -8.44 -0.02 0
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1120 3814 1 N3O5H19C26 A3B5C19D26 -112.55 3.86 -8.51 -1.15 0
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1121 3815 1 ON3H13C20 AB3C13D20 50.52 5.9 -8.12 -0.83 0
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1122 3816 1 NO4C10H15 AB4C10D15 -175.08 3.61 -10.12 0.29 0
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1123 3817 1 N4O5C37H48 A4B5C37D48 -195.58 5.45 -9.25 -0.14 0
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1124 3818 1 NO4C18H23 AB4C18D23 -125.15 2.46 -8.24 0.31 0
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1125 3821 1 ClNOC13H16 ABCD13E16 -30.13 3.79 -9.24 -0.13 0
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1126 3822 1 FN3O3C22H22 AB3C3D22E22 -125.1 3.76 -8.75 -0.92 0
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1127 3823 2 ClN2O2C13H14 AB2C2D13E14 -97.35 7.21 -8.46 -0.78 0
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1128 3824 1 N2O3H18C19 A2B3C18D19 -53.18 3.21 -8.93 -0.41 0
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1129 3825 1 O3H14C16 A3B14C16 -76.53 6.05 -10.16 -1.05 0
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1130 3827 1 NOSC19H19 ABCD19E19 15.1 5.02 -8.8 -0.88 0
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1131 3828 1 O5H12C14 A5B12C14 -126.27 3.52 -8.51 -0.55 0
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1132 3829 2 NO3C4H6 AB3C4D6 -246.05 6.59 -10.38 -0.69 0
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1133 3835 1 NO14C40H67 AB14C40D67 -670.45 4.25 -8.84 -0.01 0
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1134 3836 1 ClSN2O3C24H25 ABC2D3E24F25 -39.22 7.6 -8.94 -0.63 0
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1135 3837 1 ClSN2O4C26H29 ABC2D4E26F29 -87.47 7.44 -8.9 -0.62 0
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1136 3839 1 S2N5O6C33H41 A2B5C6D33E41 -200.71 4.87 -9.04 -1.25 0
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1137 3841 1 NO3C6H7 AB3C6D7 -80.25 5.74 -9.39 -0.43 0
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1138 3843 1 N3O5H25C29 A3B5C25D29 -111.96 5.55 -8.05 -0.79 0
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1139 3844 1 N3O5H31C32 A3B5C31D32 -145.42 7.93 -8.1 -0.86 0
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1140 3845 1 NO3H7C10 AB3C7D10 -78.94 3.25 -9.35 -1.5 0
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1141 3847 1 NO4C8H13 AB4C8D13 -170.45 9.49 -10.79 -0.29 0
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1142 3848 1 O3C9H10 A3B9C10 -114.82 3.83 -9.86 -0.1 0
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1143 3849 1 N4O6C39H52 A4B6C39D52 -270.39 3.69 -9.32 -0.13 0
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1144 3850 1 NO13C43H69 AB13C43D69 -612.14 6.85 -9.7 -0.9 0
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1145 3852 1 S2N3O6C26H45 A2B3C6D26E45 -278.58 6.74 -8.98 0.33 0
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1146 3854 1 FN3O5C43H48 AB3C5D43E48 -209.9 4.09 -9.13 -0.57 0
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1147 3855 1 NPO6C26H57 ABC6D26E57 -396.72 2.44 0.0 0.0 1
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1148 3858 1 O4C11H12 A4B11C12 -167.42 5.53 -9.85 -0.27 0
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1149 3859 1 SN2O3C9H20 AB2C3D9E20 -132.71 2.91 -9.51 0.7 0
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1150 3860 1 SN3O6C14H25 AB3C6D14E25 -298.24 11.8 -9.35 -0.04 0
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1151 3861 1 NSC6H15 ABC6D15 -27.72 1.74 -9.14 0.34 0
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1152 3862 2 NO2C4H5 AB2C4D5 -126.79 7.37 -8.76 -0.42 0
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1153 3863 1 O2N3C8H17 A2B3C8D17 -93.92 6.03 -9.64 0.78 0
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1154 3865 1 NPO7C19H38 ABC7D19E38 -453.2 7.96 -10.79 -0.32 0
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1155 3866 1 NO2C8H9 AB2C8D9 -59.42 3.9 -9.88 -0.38 0
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1156 3867 1 SO2N3C6H13 AB2C3D6E13 -77.0 3.97 -9.43 -0.42 0
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1157 3869 1 N2O3C19H24 A2B3C19D24 -108.6 3.13 -9.22 -0.73 0
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1158 3872 1 O11C12H22 A11B12C22 -493.16 4.93 -10.49 0.21 0
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1159 3874 1 O12C23H36 A12B23C36 -531.43 2.38 -8.55 -0.12 0
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1160 3875 1 NO9H27C30 AB9C27D30 -225.24 10.98 -7.66 -1.64 0
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1161 3876 1 NO8H25C29 AB8C25D29 -190.5 9.51 -7.56 -1.51 0
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1162 3879 1 O20C49H76 A20B49C76 -948.43 4.45 -9.99 -0.69 0
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1163 3882 1 OC31H52 AB31C52 -121.68 2.34 -8.81 1.56 0
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1164 3885 1 O3H14C15 A3B14C15 -83.53 7.02 -9.31 -1.43 0
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1165 3894 1 NO6H19C21 AB6C19D21 -190.95 4.84 -8.3 -0.88 0
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1166 3895 1 NO5H19C21 AB5C19D21 -142.02 7.73 -8.24 -0.77 0
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1167 3900 1 SN3O7C21H23 AB3C7D21E23 -229.13 9.72 -9.68 -0.56 0
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1168 3901 1 O6C35H50 A6B35C50 -244.07 6.07 -9.09 -0.43 0
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1169 3903 1 N5O7C28H37 A5B7C28D37 -286.92 4.4 -9.2 -0.18 0
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1170 3905 1 N3O3C11H19 A3B3C11D19 -127.86 1.82 -9.8 -0.05 0
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1171 3906 2 O2C10H17 A2B10C17 -199.72 2.53 -9.44 -0.8 0
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1172 3907 1 SN3O9C30H47 AB3C9D30E47 -394.99 6.32 -9.01 -0.77 0
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1173 3908 1 SN2O6C25H40 AB2C6D25E40 -257.49 9.89 -8.93 -0.68 0
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1174 3910 2 O2N3C10H19 A2B3C10D19 -203.91 4.35 -9.36 0.03 0
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1175 3912 1 NOC19H25 ABC19D25 -29.4 1.08 -8.58 0.22 0
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1176 3914 1 NO3C17H25 AB3C17D25 -133.17 4.4 -8.97 -0.56 0
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1177 3915 1 FN2O2C26H29 AB2C2D26E29 -72.11 3.07 -8.93 -0.31 0
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1178 3916 1 OSN2C19H24 ABC2D19E24 0.78 3.48 -7.48 -0.04 0
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1179 3917 1 NO3C9H13 AB3C9D13 -117.21 2.08 -8.89 -0.24 0
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1180 3918 1 NOC17H23 ABC17D23 -46.43 1.01 -8.49 0.25 0
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1181 3919 1 FN2O2H9C11 AB2C2D9E11 -66.36 8.51 -9.78 -1.28 0
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1182 3921 1 Br2N2O2H8C11 A2B2C2D8E11 -35.43 1.45 -9.51 -1.07 0
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1183 3925 1 ON2C16H27 AB2C16D27 -28.33 3.06 0.0 0.0 1
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1184 3930 1 NOC18H33 ABC18D33 -84.48 3.78 -9.37 1.21 0
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1185 3938 1 ON4C20H26 AB4C20D26 -4.67 3.73 -8.3 -0.34 0
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1186 3941 1 NC20H21 AB20C21 53.72 1.4 -8.98 0.27 0
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1187 3950 1 ClO2N3C9H16 AB2C3D9E16 -69.76 4.9 -10.12 -0.72 0
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1188 3951 1 O5C25H28 A5B25C28 -189.88 2.39 -8.83 -0.53 0
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1189 3958 1 Cl2N2O2H10C15 A2B2C2D10E15 -28.08 4.17 -9.44 -1.13 0
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1190 3959 1 Cl2N2O4C22H31 A2B2C4D22E31 -161.04 6.14 0.0 0.0 -1
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1191 3963 1 Cl2N2O2H16C17 A2B2C2D16E17 -67.09 4.44 -8.74 -0.62 0
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1192 3964 1 ClON3C18H18 ABC3D18E18 34.31 1.34 -8.47 -0.96 0
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1193 3965 3 OC5H6 AB5C6 -128.03 5.0 -9.76 -0.3 0
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1194 3968 1 NOC17H29 ABC17D29 -73.6 3.11 -8.49 0.44 0
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1195 3971 1 N2O2H18C19 A2B2C18D19 -7.86 5.39 -9.15 -0.65 0
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1196 3972 1 N2O3C23H32 A2B3C23D32 -130.03 3.92 -8.11 0.2 0
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1197 3974 1 N7O7C20H21 A7B7C20D21 -228.38 15.93 -9.13 -0.82 0
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1198 3977 8 C5H7 A5B7 63.13 4.52 -7.98 -0.05 0
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1199 3978 1 NO4C16H17 AB4C16D17 -108.84 4.74 -8.62 -0.1 0
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1200 3979 1 O2N3C27H39 A2B3C27D39 -66.75 4.96 -8.3 -0.14 0
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1201 3980 1 O11N18C40H78 A11B18C40D78 -535.49 0.74 -9.18 -0.12 0
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1202 3981 1 ON3C20H25 AB3C20D25 -0.5 3.96 -8.14 -0.04 0
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1203 3982 1 ON2C16H18 AB2C16D18 5.13 2.25 -8.19 -0.16 0
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1204 3984 1 NPO6C24H53 ABC6D24E53 -381.66 11.3 0.0 0.0 1
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1205 3985 1 NPO6C26H56 ABC6D26E56 -402.97 13.1 -9.67 -0.32 0
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1206 3987 1 NaPO7C21H40 ABC7D21E40 -482.76 11.07 -9.56 0.23 0
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1207 3988 1 PO7C21H41 AB7C21D41 -436.25 5.5 -9.59 0.26 0
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1208 3989 1 O4N6C23H36 A4B6C23D36 -168.05 6.41 -8.75 -0.28 0
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1209 3990 1 N5O5C21H35 A5B5C21D35 -225.06 6.62 -9.03 0.05 0
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1210 3992 1 BeN2P2F3C8O9H11 AB2C2D3E8F9G11 -388.86 4.24 -8.76 -1.74 -2