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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85179 49872214 2 O3N4C20H21 A3B4C20D21 -135.06 5.68 -8.86 -0.42 0
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85180 49872227 1 O2N4H22C23 A2B4C22D23 66.47 2.85 -9.15 -0.85 0
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85181 49872232 1 ClNOC14H20 ABCD14E20 -47.12 2.95 -8.87 -0.16 0
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85182 49872235 1 O2N3C22H25 A2B3C22D25 -47.34 6.19 -8.79 -1.12 0
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85183 49872237 1 O2N3C23H27 A2B3C23D27 -52.57 7.48 -8.64 -1.1 0
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85184 49872242 1 FN7H14C20 AB7C14D20 102.62 3.93 -9.32 -1.21 0
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85185 49872245 1 FON8H21C24 ABC8D21E24 69.33 4.35 -8.95 -1.12 0
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85186 49872248 1 OF3N3H14C16 AB3C3D14E16 -130.73 8.33 -9.1 -0.68 0
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85187 49872249 1 OSN3C14H15 ABC3D14E15 12.93 4.92 -8.47 -0.37 0
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85188 49872250 1 O2N4H16C17 A2B4C16D17 26.82 4.4 -8.88 -0.75 0
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85189 49872251 1 ON4C15H16 AB4C15D16 15.3 3.65 -9.28 -0.52 0
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85190 49872254 1 ON5C17H17 AB5C17D17 55.17 6.16 -8.35 -0.37 0
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85191 49872255 1 ClON4H13C16 ABC4D13E16 40.72 7.29 -9.38 -0.99 0
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85192 49872256 1 NO2F3C29H38 AB2C3D29E38 -258.71 3.96 -8.75 -0.75 0
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85193 49872259 1 SN2O3F4C30H32 AB2C3D4E30F32 -285.82 0.99 -8.82 -0.45 0
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85194 49872265 1 N4O6C27H34 A4B6C27D34 -167.36 2.29 -9.27 -1.25 -2
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85196 49872292 1 NO3C22H31 AB3C22D31 -133.71 3.87 -9.35 0.22 0
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85197 49872312 1 N4O9C31H40 A4B9C31D40 -338.28 5.02 -8.78 -0.49 0
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85198 49872316 1 O6N8C43H48 A6B8C43D48 -166.63 9.48 -8.91 -0.62 0
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85199 49872319 1 O6N7C25H27 A6B7C25D27 -87.22 7.4 -9.3 -1.09 0
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85200 49872321 1 O6N7C22H27 A6B7C22D27 -102.92 4.72 -9.1 -0.89 0
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85201 49872322 1 O6N7C22H27 A6B7C22D27 -114.04 4.79 -9.17 -0.96 0
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85202 49872324 1 PN8O11C40H63 AB8C11D40E63 -571.91 2.52 -9.32 -0.23 0
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85203 49872325 1 PN8O12C36H55 AB8C12D36E55 -597.07 14.83 -9.25 -0.25 0
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85204 49872327 1 PN8O11C37H57 AB8C11D37E57 -565.82 5.66 -9.26 0.18 0
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85205 49872329 1 PSN8O11C32H49 ABC8D11E32F49 -544.24 11.46 -9.18 -0.22 0
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85206 49872331 1 O2N3C23H29 A2B3C23D29 -70.8 2.46 -9.15 -0.73 0
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85207 49872332 1 ClO2N3H24C25 AB2C3D24E25 -17.03 2.47 -9.24 -0.82 0
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85208 49872382 1 ClFON5C24H25 ABCD5E24F25 -12.76 9.78 -8.76 -0.95 0
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85209 49872383 2 OF2N3H10C11 AB2C3D10E11 -146.22 8.94 -8.49 -1.01 0
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85210 49872438 1 O2N3C23H23 A2B3C23D23 -3.84 2.76 -9.25 -0.85 0
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85211 49872440 1 O2N3C22H33 A2B3C22D33 -98.63 6.58 -8.96 -0.95 0
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85212 49872443 1 O2N3C21H31 A2B3C21D31 -92.43 6.18 -8.65 -0.91 0
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85213 49872472 1 O2N3C27H27 A2B3C27D27 7.73 4.26 -7.98 -0.13 0
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85214 49872481 1 O2F4N7H17C20 A2B4C7D17E20 -138.27 6.32 -8.78 -0.98 0
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85215 49872482 1 OF3N6H19C21 AB3C6D19E21 -62.78 6.31 -8.51 -0.96 0
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85216 49872492 1 I2N2O6C31H36 A2B2C6D31E36 -194.93 2.71 -8.66 -0.79 0
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85217 49872493 1 Cl2N2O9H26C29 A2B2C9D26E29 -291.36 1.75 -9.43 -0.98 0
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85218 49872509 1 N11O14C54H57 A11B14C54D57 -389.4 6.12 -8.54 -1.37 0
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85219 49872552 1 OSN4H16C17 ABC4D16E17 32.78 4.78 -8.6 -0.64 0
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85220 49872561 1 NO2F5H28C29 AB2C5D28E29 -295.83 8.07 -9.19 -1.07 0
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85221 49872564 1 NPC9O9H18 ABC9D9E18 -480.32 3.23 -10.3 -0.21 0
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85222 49872598 1 ClN2F3O3H18C21 AB2C3D3E18F21 -235.33 6.61 -8.15 -0.92 0
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85223 49872605 1 N4O7C35H44 A4B7C35D44 -254.02 1.89 -8.53 -0.92 0
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85224 49872606 1 N4O8C31H44 A4B8C31D44 -364.95 5.79 -8.96 -0.62 0
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85225 49872607 1 N4O9C32H46 A4B9C32D46 -403.8 4.32 -8.5 -0.18 0
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85226 49872608 1 N4O8C33H48 A4B8C33D48 -369.16 5.42 -8.7 -0.38 0
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85227 49872613 1 O5C21H30 A5B21C30 -218.37 4.88 -9.06 -0.84 0
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85228 49872614 1 O5C22H32 A5B22C32 -225.93 5.58 -9.01 -0.84 0
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85229 49872619 1 O5N8C23H30 A5B8C23D30 -85.17 1.7 -9.03 -0.75 0
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85230 49872626 1 PN8O11C39H61 AB8C11D39E61 -570.9 6.62 -9.47 -0.51 0
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85231 49872628 1 PN9O11C34H52 AB9C11D34E52 -539.49 11.3 -8.93 -0.43 0
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85233 49872645 1 FON7H20C24 ABC7D20E24 43.83 3.63 -9.48 -1.4 0
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85234 49872646 1 FON8H25C27 ABC8D25E27 62.21 3.79 -9.3 -1.24 0
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85235 49872656 1 NO2F6H25C29 AB2C6D25E29 -321.61 3.59 -9.39 -1.0 0
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85236 49872682 1 O2N5C18H19 A2B5C18D19 35.72 2.42 -8.83 -0.98 0
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85237 49872768 1 ClON4H15C18 ABC4D15E18 89.32 4.4 -8.92 -1.41 0
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85238 49872773 1 ON5C17H17 AB5C17D17 76.51 1.65 -9.47 -1.06 0
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85239 49872782 1 Br3Cl3N5H7C11 A3B3C5D7E11 71.63 2.34 -9.31 -1.79 0
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85240 49872791 1 NF3O4C27H28 AB3C4D27E28 -297.03 6.08 -8.48 -0.59 0
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85241 49872814 1 PN8O9C38H61 AB8C9D38E61 -474.25 5.63 -9.3 -0.06 0
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85242 49872863 2 ON2C10H10 AB2C10D10 57.12 1.99 -8.91 -1.42 0
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85243 49872919 1 O2N4C27H32 A2B4C27D32 -40.12 6.95 -8.22 -0.86 0
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85244 49872930 1 OSN4H16C17 ABC4D16E17 38.49 7.2 -8.75 -0.8 0
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85245 49872931 1 OSN4C18H18 ABC4D18E18 28.8 5.03 -8.77 -0.74 0
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85246 49872949 1 FN2H13C14 AB2C13D14 121.87 2.06 -8.83 -0.12 0
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85247 49872959 1 NSO4C25H27 ABC4D25E27 -102.2 4.61 -8.62 -1.37 0
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85250 49873020 1 S4N18O31C106H133 A4B18C31D106E133 -1217.09 15.93 0.0 0.0 1
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85251 49873021 1 S4N18O31C106H133 A4B18C31D106E133 -1176.09 18.34 0.0 0.0 1
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85253 49873147 1 O2C33H48 A2B33C48 -110.72 2.84 -8.65 0.46 0
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85254 49873151 1 FON8H19C23 ABC8D19E23 57.78 6.86 -9.41 -1.43 0
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85255 49873160 1 NO3C16H23 AB3C16D23 -125.33 3.02 -8.71 0.34 0
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85256 49873164 1 O5C16H22 A5B16C22 -226.92 9.54 -9.32 -0.4 0
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85257 49873169 1 O2N3C23H31 A2B3C23D31 -60.91 8.05 -8.99 -0.78 0
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85258 49873170 1 O2N3C25H33 A2B3C25D33 -55.43 7.46 -8.96 -0.62 0
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85259 49873176 1 SN2O4C26H30 AB2C4D26E30 -100.53 3.19 -8.62 -1.24 0
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85260 49873185 1 ClNO4C22H34 ABC4D22E34 -198.93 5.62 -8.74 -0.1 0
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85261 49873255 2 O2C7H9 A2B7C9 -167.96 4.06 -9.46 -0.76 0
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85262 49873302 1 O6N8C45H46 A6B8C45D46 -145.07 2.83 -8.69 -0.42 0
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85263 49873310 1 PN8O11C36H55 AB8C11D36E55 -558.46 10.34 -9.08 -0.01 0
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85264 49873321 1 FO2N4C21H23 AB2C4D21E23 -78.15 4.35 -9.33 -1.02 0
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85265 49873323 1 S2N3C20H39 A2B3C20D39 -48.13 3.07 -8.68 0.64 0
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85266 49873324 2 FN4H7C11 AB4C7D11 100.37 2.21 -9.4 -1.36 0
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85267 49873325 2 FN4H7C11 AB4C7D11 100.19 1.67 -9.45 -1.36 0
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85268 49873338 1 NO2F4C33H35 AB2C4D33E35 -241.24 6.7 -9.16 -0.8 0
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85269 49873340 1 N5C15H19 A5B15C19 65.5 3.58 -8.94 -0.15 0
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85270 49873349 1 ClSN3O3C26H30 ABC3D3E26F30 -71.48 5.55 -8.9 -0.96 0
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85271 49873354 1 ClN2O6C26H33 AB2C6D26E33 -239.43 3.83 -8.18 -0.55 0
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85272 49873356 1 O2N3C24H33 A2B3C24D33 -73.57 3.67 -9.36 -0.73 0
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85273 49873359 1 O2N5H29C30 A2B5C29D30 40.37 2.45 -8.38 -1.2 0
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85274 49873365 1 ON6H18C20 AB6C18D20 103.7 4.46 -9.14 -1.08 0
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85275 49873366 1 ON5C18H19 AB5C18D19 66.77 2.29 -9.24 -1.04 0
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85276 49873378 1 ClON4H11C13 ABC4D11E13 39.09 2.13 -9.04 -1.15 0
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85277 49873382 1 CoN2O4C22H28 AB2C4D22E28 -133.63 9.34 0.0 0.0 -5
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85279 49873395 1 SnO2C11H26 AB2C11D26 -109.02 2.51 -7.94 -0.73 0
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85281 49873398 1 NSnO3C15H33 ABC3D15E33 -153.31 1.84 -7.49 0.06 0
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85283 49873420 1 SnCl3O3C11H15 AB3C3D11E15 -114.94 3.28 -7.63 -0.75 0
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85286 49873456 1 TiO6C40H52 AB6C40D52 -187.58 5.01 -7.57 -0.79 0
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85294 49873532 1 O5C15H22 A5B15C22 -184.63 2.21 -9.82 0.57 0
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85296 49873536 2 OH5C6 AB5C6 -0.33 4.15 -7.91 -1.21 0