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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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322224 126669261 1 N2C13H16 A2B13C16 43.72 2.75 -8.52 0.18 0
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322225 126669262 1 ClIN2O2C17H26 ABC2D2E17F26 -99.14 2.12 -9.34 -0.99 0
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322226 126669265 1 ON2F3H11C12 AB2C3D11E12 -115.65 3.7 -9.63 -1.31 0
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322227 126669280 1 N2O3C50H58 A2B3C50D58 -39.89 5.09 -8.77 -0.36 0
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322228 126669288 1 ClFOSN3C24H29 ABCDE3F24G29 3.3 4.51 -7.21 -1.01 0
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322229 126669290 1 N2O4C39H48 A2B4C39D48 -95.81 2.92 -8.93 -0.02 0
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322230 126669298 1 O2N4H12C17 A2B4C12D17 39.64 4.57 -9.07 -1.32 0
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322231 126669302 1 ClN2O2F3C22H22 AB2C2D3E22F22 -235.29 3.49 -9.54 -1.08 0
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322232 126669303 1 FN2O3C32H37 AB2C3D32E37 -142.98 2.0 -8.82 -0.1 0
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322233 126669308 1 O2N3H13C18 A2B3C13D18 28.54 3.31 -9.01 -1.12 0
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322234 126669381 1 NO5C14H15 AB5C14D15 -205.42 6.75 -10.58 -1.14 0
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322235 126669387 2 NO2C8H11 AB2C8D11 -173.3 3.95 -8.81 0.19 0
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322236 126669487 1 ClN2O3C21H31 AB2C3D21E31 -150.4 3.74 -8.85 0.01 0
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322237 126669488 1 O2N3H13C19 A2B3C13D19 50.74 2.14 -8.76 -0.86 0
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322238 126669489 1 O2N5H19C21 A2B5C19D21 35.82 6.83 -8.88 -0.5 0
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322239 126669490 1 ClNO4C17H24 ABC4D17E24 -195.85 3.95 -9.35 -0.14 0
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322240 126669492 1 ClN2O4C25H39 AB2C4D25E39 -210.44 5.95 -8.73 0.11 0
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322241 126669493 1 N2O5C17H34 A2B5C17D34 -253.67 2.05 -9.0 0.9 0
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322242 126669495 1 ClO2N6C21H29 AB2C6D21E29 -36.5 4.35 -8.65 -0.19 0
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322243 126669496 2 OC3H4 AB3C4 -50.32 1.36 -8.33 0.08 0
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322244 126669515 1 F3N3O4H20C22 A3B3C4D20E22 -241.1 4.0 -8.98 -0.75 0
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322245 126669522 1 F3N3O5H24C25 A3B3C5D24E25 -298.69 7.14 -9.06 -0.62 0
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322246 126669534 1 N2O3C15H16 A2B3C15D16 -68.88 2.76 -9.45 -0.96 0
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322247 126669535 1 ClN3O4H22C23 AB3C4D22E23 -101.41 8.53 -8.6 -0.53 0
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322248 126669536 1 ClN2O3C26H35 AB2C3D26E35 -98.82 2.61 -8.61 -0.28 0
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322249 126669537 1 ClNOC16H18 ABCD16E18 16.32 3.47 -8.71 -0.06 0
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322250 126669539 1 ClN2O3C26H35 AB2C3D26E35 -98.52 4.61 -8.66 -0.25 0
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322251 126669540 1 F3N3O5H24C25 A3B3C5D24E25 -309.03 9.76 -8.99 -1.03 0
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322252 126669541 1 SN3O3F5H18C20 AB3C3D5E18F20 -274.42 7.58 -9.39 -0.94 0
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322253 126669542 1 N2F3O6H19C23 A2B3C6D19E23 -331.78 5.11 -8.97 -0.89 0
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322254 126669543 1 F3N3O4H20C23 A3B3C4D20E23 -256.78 9.97 -9.31 -0.83 0
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322255 126669544 1 F3N3O4H20C23 A3B3C4D20E23 -249.76 6.33 -9.03 -0.63 0
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322256 126669546 1 NO7C15H19 AB7C15D19 -213.52 6.54 -9.05 -0.51 0
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322257 126669547 1 ClNOC16H18 ABCD16E18 14.82 2.13 -8.82 -0.13 0
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322258 126669548 1 F3N3O3H20C23 A3B3C3D20E23 -213.75 6.45 -9.25 -0.63 0
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322259 126669551 1 N2F3O6H21C24 A2B3C6D21E24 -332.61 7.33 -9.37 -1.05 0
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322260 126669553 1 FNO7C14H16 ABC7D14E16 -251.84 4.79 -9.42 -0.57 0
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322261 126669557 1 NF3O7H14C15 AB3C7D14E15 -276.9 4.36 -9.56 -1.03 0
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322262 126669558 1 FN2O6C11H13 AB2C6D11E13 -183.26 5.4 -10.39 -0.82 0
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322263 126669566 1 SF3O5C17H19 AB3C5D17E19 -317.28 7.71 -9.08 -1.39 0
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322264 126669567 1 O2N5C26H33 A2B5C26D33 -6.09 5.56 -8.84 -0.81 0
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322265 126669568 1 ON5C29H41 AB5C29D41 36.64 3.68 -8.1 0.2 1
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322266 126669569 1 NOC9H14 ABC9D14 -31.23 1.97 0.0 0.0 0
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322267 126669571 1 ON2H12C18 AB2C12D18 67.98 7.96 -9.44 -1.36 0
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322268 126669572 1 OC24H28 AB24C28 -38.85 4.9 -8.98 -0.25 0
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322269 126669573 1 N2O3H18C19 A2B3C18D19 -51.03 4.11 -8.86 -0.8 0
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322270 126669574 4 OH5C6 AB5C6 -90.52 2.55 -9.15 -1.0 0
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322271 126669575 1 SF3O4C15H17 AB3C4D15E17 -314.01 3.54 -9.52 -1.54 0
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322272 126669576 1 NSF3O4H8C12 ABC3D4E8F12 -258.6 3.2 -9.6 -1.78 0
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322273 126669577 1 ClN4H21C25 AB4C21D25 120.48 7.01 -9.32 -1.35 0
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322274 126669578 1 O2N4C25H28 A2B4C25D28 14.18 2.01 -8.8 -0.72 0
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322275 126669579 1 ON2F4H24C27 AB2C4D24E27 -169.47 3.68 -9.25 -0.98 0
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322276 126669580 1 N2O3C28H28 A2B3C28D28 -50.81 7.52 -9.0 -1.04 0
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322277 126669581 1 FN2O3C28H31 AB2C3D28E31 -125.75 3.87 -8.88 -0.57 0
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322278 126669582 1 N2O3H26C27 A2B3C26D27 -43.96 5.92 -8.89 -1.25 0
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322279 126669584 1 ON5C27H27 AB5C27D27 81.28 2.04 -8.37 -0.8 0
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322280 126669585 1 NC25H27 AB25C27 138.89 2.33 -8.24 -0.34 0
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322281 126669586 1 NO3C14H25 AB3C14D25 -159.47 4.45 -9.19 0.88 0
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322282 126669587 1 N3O4C19H25 A3B4C19D25 -147.51 5.5 -9.3 -0.4 0
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322283 126669590 1 NC17H25 AB17C25 7.64 1.43 -8.75 0.41 0
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322284 126669591 1 N3O4C20H27 A3B4C20D27 -149.84 4.36 -9.21 -0.58 0
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322285 126669596 1 ClO5N8C24H33 AB5C8D24E33 -146.49 5.53 -9.22 -0.69 0
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322286 126669598 1 FN3O5C22H26 AB3C5D22E26 -205.5 7.78 -9.16 -0.45 0
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322287 126669605 1 ClO2N3C29H32 AB2C3D29E32 -45.17 5.01 -8.7 -0.94 0
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322288 126669611 1 O7N8C31H46 A7B8C31D46 -250.97 3.67 -8.59 -0.44 0
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322289 126669612 1 ClN8O9C37H53 AB8C9D37E53 -383.53 6.97 -8.92 -0.37 0
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322290 126669613 1 N5H13C19 A5B13C19 139.87 4.94 -9.03 -1.04 0
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322291 126669615 2 NOH15C16 ABC15D16 -10.99 3.09 -8.46 -0.85 0
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322292 126669616 2 NOC15H17 ABC15D17 -53.73 4.08 -8.85 0.03 0
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322293 126669617 1 O2N3C36H41 A2B3C36D41 -33.39 7.5 -8.32 -0.64 0
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322294 126669625 1 O2F3N3C36H42 A2B3C3D36E42 -217.99 6.79 -8.63 -0.23 0
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322295 126669627 1 IN2O3C14H17 AB2C3D14E17 -88.8 2.77 -8.82 -1.68 0
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322296 126669628 1 ClON6C19H27 ABC6D19E27 18.03 2.87 -8.46 -0.14 0
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322297 126669633 1 O7N9C50H59 A7B9C50D59 -194.0 6.6 -8.59 -1.1 0
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322298 126669634 1 F2O6N8C45H52 A2B6C8D45E52 -266.15 11.06 -8.34 -0.92 0
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322299 126669636 1 OC23H38 AB23C38 -83.05 2.71 -9.19 0.51 0
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322300 126669639 1 ON4C18H28 AB4C18D28 4.19 7.13 -8.78 -0.1 0
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322301 126669652 1 NOC8H15 ABC8D15 -31.07 3.04 -8.55 1.31 0
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322302 126669655 1 N2O6C25H40 A2B6C25D40 -199.84 5.56 -9.26 0.56 0
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322303 126669665 1 ClO2N7C21H30 AB2C7D21E30 -28.78 5.73 -8.59 0.04 0
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322304 126669688 1 N2O7C23H36 A2B7C23D36 -254.8 5.26 -9.4 0.26 0
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322305 126669689 1 ClN3C19H30 AB3C19D30 3.25 3.13 -8.22 0.02 0
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322306 126669698 1 ClNO2C15H20 ABC2D15E20 -81.63 5.57 -9.26 -0.54 0
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322307 126669700 1 N6C11H22 A6B11C22 41.13 6.47 -8.86 0.8 0
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322308 126669705 1 FN3O5C26H26 AB3C5D26E26 -45.97 4.44 -8.67 -0.86 0
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322309 126669706 1 N2O3C22H30 A2B3C22D30 -90.39 3.09 -8.31 0.3 0
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322310 126669707 1 N2O3C16H26 A2B3C16D26 -129.31 5.52 -8.31 -0.02 0
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322312 126669709 1 N2O3C11H18 A2B3C11D18 -131.52 5.62 -9.36 0.59 0
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322313 126669712 1 N2O3C12H22 A2B3C12D22 -143.34 3.91 -9.3 0.77 0
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322314 126669713 1 N2O3C15H30 A2B3C15D30 -164.66 4.02 -9.04 0.64 0
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322315 126669714 1 OSC14H16 ABC14D16 15.16 1.79 -8.5 -0.5 0
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322316 126669717 1 ON3C25H27 AB3C25D27 51.73 1.77 -8.56 -0.34 0
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322317 126669719 1 SC12H22 AB12C22 44.15 1.28 -6.68 1.16 0
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322318 126669720 1 SF3O4H13C14 AB3C4D13E14 -283.99 3.39 -9.88 -1.69 0
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322319 126669725 1 F3N4O5C28H31 A3B4C5D28E31 -295.23 9.26 -8.42 -0.38 0
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322320 126669729 1 FNOH16C19 ABCD16E19 -28.86 4.6 -9.43 -1.18 0
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322321 126669730 1 NO5C19H21 AB5C19D21 -184.08 2.46 -9.42 -0.98 0
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322322 126669737 1 F3N3O5H22C24 A3B3C5D22E24 -294.87 8.31 -8.96 -0.7 0
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322323 126669739 1 F3N3O5C26H26 A3B3C5D26E26 -288.09 4.62 -9.15 -0.6 0
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322324 126669753 1 FNC12H16 ABC12D16 -41.11 3.6 -8.09 0.3 0