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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41253 8145538 1 ON3C23H30 AB3C23D30 6.76 7.64 0.0 0.0 0
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41254 8145541 1 FO2N4C20H27 AB2C4D20E27 -117.22 5.09 -8.41 0.02 1
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41255 8145542 1 FO2N4C20H28 AB2C4D20E28 -100.13 4.94 0.0 0.0 1
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41256 8145544 1 FO2N4C20H28 AB2C4D20E28 -98.55 5.05 0.0 0.0 0
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41257 8145547 1 FS2N5C19H22 AB2C5D19E22 60.39 5.27 -8.32 -1.1 1
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41258 8145548 1 ON3C23H30 AB3C23D30 7.59 8.56 0.0 0.0 0
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41259 8145549 1 ON3C23H29 AB3C23D29 -3.47 7.7 -9.09 -0.65 0
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41260 8145551 1 FO2N3C22H24 AB2C3D22E24 -61.34 6.13 -8.76 -1.34 1
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41261 8145552 1 FSN4C19H22 ABC4D19E22 46.54 3.25 0.0 0.0 1
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41262 8145558 1 FSN5C22H25 ABC5D22E25 92.81 6.54 0.0 0.0 1
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41263 8145560 1 OSN3C24H32 ABC3D24E32 -6.17 8.16 0.0 0.0 0
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41264 8145561 1 OSN3C24H31 ABC3D24E31 -19.68 3.42 -8.55 -0.9 1
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41265 8145565 1 FN4O4H18C19 AB4C4D18E19 -51.58 11.23 0.0 0.0 1
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41266 8145569 1 FO2N3C18H19 AB2C3D18E19 -38.77 2.76 0.0 0.0 0
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41267 8145570 1 FO2N3C18H18 AB2C3D18E18 -56.14 5.43 -8.42 -0.5 1
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41268 8145571 1 FOSN5C18H19 ABCD5E18F19 53.14 4.32 0.0 0.0 1
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41269 8145576 1 FO2N3C19H23 AB2C3D19E23 -70.86 4.24 0.0 0.0 0
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41270 8145577 1 FO2N3C19H22 AB2C3D19E22 -93.54 3.33 -8.34 -0.04 1
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41271 8145578 1 OSN3C24H32 ABC3D24E32 -0.93 7.95 0.0 0.0 0
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41272 8145579 1 OSN3C24H31 ABC3D24E31 -19.88 3.17 -8.5 -0.84 1
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41273 8145580 1 NO5C23H32 AB5C23D32 -156.78 4.7 0.0 0.0 0
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41274 8145581 1 NO5C23H31 AB5C23D31 -170.31 5.56 -8.49 0.09 1
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41275 8145584 1 FOSN4C20H22 ABCD4E20F22 36.21 6.89 0.0 0.0 0
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41276 8145585 1 FOSN4C20H21 ABCD4E20F21 19.53 3.82 -8.62 -0.47 0
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41277 8145593 1 FSN5C22H24 ABC5D22E24 83.83 4.17 -8.38 -0.42 0
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41278 8145595 1 SF2N5C20H21 AB2C5D20E21 16.75 3.23 -8.38 -0.82 1
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41279 8145596 1 FSN5C17H23 ABC5D17E23 65.17 6.09 0.0 0.0 0
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41280 8145597 1 FSN5C17H22 ABC5D17E22 51.89 5.57 -8.26 -0.14 1
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41281 8145598 1 ClON3C23H29 ABC3D23E29 -5.19 9.34 0.0 0.0 0
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41282 8145599 1 ClON3C23H28 ABC3D23E28 -20.69 6.16 -9.36 -0.87 0
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41283 8145600 1 NSO2H19C20 ABC2D19E20 -1.04 5.43 -8.97 -0.65 0
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41284 8145602 1 SF2N5C20H21 AB2C5D20E21 17.59 6.74 -8.33 -0.9 1
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41285 8145603 1 FSN5C21H25 ABC5D21E25 67.6 6.48 0.0 0.0 0
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41286 8145604 1 FSN5C21H24 ABC5D21E24 54.51 5.07 -8.38 -0.3 0
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41287 8145606 1 ClON3C23H28 ABC3D23E28 -17.24 7.02 -9.34 -0.85 1
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41288 8145607 1 FSN5C23H27 ABC5D23E27 96.12 5.7 0.0 0.0 0
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41289 8145608 1 FSN5C23H26 ABC5D23E26 73.77 5.34 -8.36 -0.29 1
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41290 8145613 1 N3O3C25H34 A3B3C25D34 -70.24 6.28 0.0 0.0 0
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41291 8145614 1 N3O3C25H33 A3B3C25D33 -87.86 6.05 -8.65 -0.6 1
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41292 8145615 1 FS2N4C14H18 AB2C4D14E18 30.03 1.2 0.0 0.0 0
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41293 8145617 1 NSO4C24H27 ABC4D24E27 -99.58 6.35 -8.78 -0.66 0
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41294 8145619 1 FSN5C19H20 ABC5D19E20 79.14 8.27 -8.51 -1.38 1
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41295 8145620 1 FON5C18H19 ABC5D18E19 37.0 3.16 0.0 0.0 0
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41296 8145621 1 FON5C18H18 ABC5D18E18 21.11 3.73 -8.28 -1.32 1
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41297 8145622 1 N3O3C25H34 A3B3C25D34 -68.11 6.61 0.0 0.0 0
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41298 8145623 1 N3O3C25H33 A3B3C25D33 -88.0 4.79 -8.53 -0.48 0
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41299 8145625 1 FSN5C23H28 ABC5D23E28 41.42 6.31 -8.29 -0.47 1
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41300 8145627 1 FSN5C21H25 ABC5D21E25 54.91 2.77 0.0 0.0 0
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41301 8145628 1 FSN5C21H24 ABC5D21E24 63.65 8.79 -8.42 -1.22 1
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41302 8145629 1 N3O3C25H34 A3B3C25D34 -71.76 6.59 0.0 0.0 0
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41303 8145630 1 N3O3C25H33 A3B3C25D33 -86.64 5.35 -8.54 -0.5 1
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41304 8145631 1 FOSN5C21H25 ABCD5E21F25 41.22 8.22 0.0 0.0 1
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41305 8145633 1 FOSN5C21H25 ABCD5E21F25 35.32 8.04 0.0 0.0 0
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41306 8145636 1 N3O3C25H33 A3B3C25D33 -85.83 7.93 -8.52 -0.58 1
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41307 8145637 1 FSN5C21H25 ABC5D21E25 66.84 6.58 0.0 0.0 0
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41308 8145638 1 FSN5C21H24 ABC5D21E24 51.17 5.35 -8.32 -0.49 0
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41309 8145640 1 FOSN4C20H21 ABCD4E20F21 15.27 4.87 -8.72 -0.87 0
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41310 8145643 1 O2N3C25H29 A2B3C25D29 -15.83 8.28 -8.96 -0.9 1
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41311 8145644 1 FSN5C20H23 ABC5D20E23 79.2 9.2 0.0 0.0 1
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41312 8145646 1 FO3N4C21H22 AB3C4D21E22 -81.05 10.42 0.0 0.0 0
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41313 8145647 1 FO3N4C21H21 AB3C4D21E21 -92.86 2.85 -8.75 -1.25 1
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41314 8145648 1 FO3N4C16H20 AB3C4D16E20 -113.44 10.85 0.0 0.0 1
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41315 8145650 1 O2N3C25H30 A2B3C25D30 2.15 7.65 0.0 0.0 0
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41316 8145651 1 O2N3C25H29 A2B3C25D29 -13.38 9.91 -8.93 -0.87 0
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41317 8145652 1 N3O3H23C24 A3B3C23D24 -8.59 3.07 -9.0 -0.69 0
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41318 8145654 1 FO3N4C18H23 AB3C4D18E23 -136.35 3.13 -8.45 -1.24 1
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41319 8145655 1 FOSN5C20H23 ABCD5E20F23 43.44 9.44 0.0 0.0 0
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41320 8145656 1 FOSN5C20H22 ABCD5E20F22 43.12 5.99 -8.59 -1.38 1
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41321 8145657 1 O2N3C25H30 A2B3C25D30 2.79 7.7 0.0 0.0 0
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41322 8145658 1 O2N3C25H29 A2B3C25D29 -11.83 8.74 -8.92 -0.87 0
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41323 8145659 1 NO2C14H21 AB2C14D21 -86.52 6.44 -9.57 0.68 1
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41324 8145663 1 FS2N5C19H23 AB2C5D19E23 70.17 7.37 0.0 0.0 0
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41325 8145664 1 FS2N5C19H22 AB2C5D19E22 62.54 4.23 -8.33 -0.5 1
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41326 8145665 1 O2N3C25H30 A2B3C25D30 0.6 10.13 0.0 0.0 0
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41327 8145667 1 NO2C14H21 AB2C14D21 -86.53 6.4 -9.58 0.71 1
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41328 8145668 1 FO3N4C19H24 AB3C4D19E24 -119.96 10.43 0.0 0.0 0
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41329 8145669 1 FO3N4C19H23 AB3C4D19E23 -132.38 2.16 -8.49 -1.26 1
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41330 8145670 1 FO3N4C15H18 AB3C4D15E18 -112.23 2.49 0.0 0.0 0
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41331 8145671 1 FO3N4C15H17 AB3C4D15E17 -117.68 1.98 -8.81 -1.29 2
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41332 8145672 1 SO2N4C20H22 AB2C4D20E22 44.83 10.33 -7.09 -0.99 0
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41333 8145675 1 FN2O2C22H23 AB2C2D22E23 -60.83 5.69 -8.19 -0.59 0
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41334 8145676 1 NO2C14H21 AB2C14D21 -86.91 5.9 -9.63 0.59 1
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41335 8145679 1 FSN6C21H26 ABC6D21E26 75.53 4.02 0.0 0.0 0
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41336 8145680 1 FSN6C21H25 ABC6D21E25 63.03 3.09 -8.5 -0.99 1
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41337 8145681 1 FSN5C21H25 ABC5D21E25 63.04 5.81 0.0 0.0 0
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41338 8145682 1 FSN5C21H24 ABC5D21E24 47.05 5.1 -8.36 -0.38 1
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41339 8145685 1 SN4C20H25 AB4C20D25 94.9 19.35 0.0 0.0 1
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41340 8145689 1 FN2O3C23H26 AB2C3D23E26 -115.19 8.73 0.0 0.0 0
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41341 8145690 1 FN2O3C23H25 AB2C3D23E25 -130.62 5.52 -8.61 -0.89 0
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41342 8145692 1 FO3N4C17H19 AB3C4D17E19 -103.72 2.2 -8.98 -1.25 1
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41343 8145694 3 NOC7H8 ABC7D8 -41.57 8.78 0.0 0.0 0
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41344 8145695 1 N3O3C21H23 A3B3C21D23 -59.84 6.02 -8.8 -0.48 1
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41345 8145696 1 FOS2N5C18H21 ABC2D5E18F21 42.72 7.15 0.0 0.0 0
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41346 8145698 1 BrN2O3H11C13 AB2C3D11E13 -40.37 4.98 -9.32 -1.16 0
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41347 8145704 1 FS2N5C16H20 AB2C5D16E20 60.85 5.39 -8.45 -0.89 1
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41348 8145705 1 FO3N4C21H28 AB3C4D21E28 -141.28 2.16 0.0 0.0 0
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41349 8145706 1 FO3N4C21H27 AB3C4D21E27 -143.95 2.05 -8.44 -1.31 0
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41350 8145707 1 NSO4C17H21 ABC4D17E21 -117.36 5.2 -8.41 -0.12 1
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41351 8145708 1 FO3N4C21H28 AB3C4D21E28 -138.7 1.81 0.0 0.0 1
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41352 8145710 1 FO3N4C21H28 AB3C4D21E28 -129.61 10.52 0.0 0.0 0