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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298471 117650040 1 SF2O3N7C26H27 AB2C3D7E26F27 -107.04 3.35 -8.69 -1.06 0
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298472 117650049 1 N3C12H19 A3B12C19 23.19 3.34 -8.93 0.25 0
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298473 117650063 1 O2N3C9H9 A2B3C9D9 22.29 3.2 -9.05 -1.18 0
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298474 117650064 1 O2C17H26 A2B17C26 -109.3 2.76 -8.54 0.44 0
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298475 117650111 1 N2O5C27H30 A2B5C27D30 -151.62 2.37 -8.66 -0.52 0
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298476 117650113 1 ClF3N3O3H19C23 AB3C3D3E19F23 -205.1 6.06 -8.92 -0.83 0
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298477 117650114 1 ClSO2N3C28H28 ABC2D3E28F28 -2.45 4.22 -8.91 -0.55 0
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298478 117650117 1 N3O5C28H29 A3B5C28D29 -114.13 3.03 -9.12 -1.03 0
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298479 117650134 1 NO2C9H11 AB2C9D11 -52.63 5.4 -9.22 -0.62 0
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298480 117650135 1 ClNO2C10H12 ABC2D10E12 -67.99 4.91 -9.29 -0.83 0
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298481 117650137 1 SN2O3C27H30 AB2C3D27E30 -57.12 5.68 -8.37 -0.49 0
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298482 117650140 1 FSO5H7C8 ABC5D7E8 -225.63 3.03 -11.16 -1.63 0
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298483 117650142 1 SN3O5C28H29 AB3C5D28E29 -87.75 2.81 -8.75 -0.86 0
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298484 117650148 2 OC7H14 AB7C14 -123.62 1.92 -9.43 1.27 0
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298485 117650150 1 NOC20H23 ABC20D23 7.93 3.99 -7.92 -0.34 0
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298486 117650164 1 NOC11H23 ABC11D23 -69.71 0.93 -9.56 1.3 0
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298488 117650177 1 N5O6C19H29 A5B6C19D29 -220.63 5.18 -9.79 -0.43 0
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298489 117650183 1 NO3C14H21 AB3C14D21 -118.33 2.02 -8.45 0.53 0
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298492 117650206 1 N4O6C25H32 A4B6C25D32 -171.88 2.41 -8.92 -1.11 0
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298493 117650207 1 N3O7C30H33 A3B7C30D33 -173.17 3.07 -9.01 -0.78 0
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298495 117650217 1 NO5C20H31 AB5C20D31 -253.73 0.55 -8.56 0.36 0
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298496 117650262 1 N3H53C56 A3B53C56 263.62 4.55 -7.67 -1.53 0
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298497 117650270 1 N3H55C68 A3B55C68 300.26 1.46 -7.71 -1.23 0
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298498 117650273 3 NH17C20 AB17C20 312.83 17.4 -6.26 -2.02 0
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298499 117650286 1 N3H47C62 A3B47C62 347.87 7.44 -7.08 -1.03 0
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298500 117650289 2 BrH8C12 AB8C12 97.76 2.44 -9.31 -0.4 0
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298501 117650293 1 ON2H52C59 AB2C52D59 173.79 2.89 -7.63 -0.62 0
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298502 117650311 2 FNH13C16 ABC13D16 -0.6 2.35 -7.55 -0.82 0
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298503 117650313 1 N2H42C57 A2B42C57 231.73 3.25 -7.55 -0.66 0
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298504 117650352 1 FON3H22C24 ABC3D22E24 6.97 3.67 -8.92 -0.56 0
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298505 117650353 1 ON3C25H31 AB3C25D31 3.75 4.59 -8.77 -0.4 0
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298506 117650400 1 FON2C23H25 ABC2D23E25 -29.52 7.93 -8.8 -0.5 0
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298508 117650416 2 SCl2N4O5C25H33 AB2C4D5E25F33 -377.99 9.53 -9.0 -0.7 0
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298509 117650417 2 O2C9H10 A2B9C10 -117.4 4.79 -8.79 -1.77 0
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298510 117650450 1 S2F3O4H17C22 A2B3C4D17E22 -243.27 6.18 -9.34 -1.31 0
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298511 117650452 1 S2N6O9C24H26 A2B6C9D24E26 -230.91 7.79 -9.24 -1.19 0
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298512 117650465 1 NO2C6H13 AB2C6D13 -102.11 3.0 -9.54 0.23 0
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298513 117650474 1 N7O12C55H85 A7B12C55D85 -617.32 7.55 -8.88 -0.43 0
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298514 117650475 1 S2F3O4H15C21 A2B3C4D15E21 -233.74 6.01 -9.22 -1.32 0
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298515 117650530 1 ClON5H14C16 ABC5D14E16 68.94 6.72 -8.93 -1.23 0
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298516 117650540 1 NPO2C7H12 ABC2D7E12 -51.91 2.14 -8.5 0.36 0
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298517 117650543 1 N2C9H10 A2B9C10 61.66 3.26 -8.73 -0.06 0
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298518 117650544 1 N2O2C21H34 A2B2C21D34 -113.46 0.73 -8.82 0.55 0
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298519 117650548 1 N3O7C29H51 A3B7C29D51 -308.42 4.04 -9.25 0.4 0
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298520 117650549 1 N4O8C31H54 A4B8C31D54 -354.5 5.41 -9.1 0.39 0
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298521 117650572 1 O3H14C16 A3B14C16 -82.66 3.42 -9.64 -0.74 0
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298522 117650582 1 Br5N5S5O18C48H52 A5B5C5D18E48F52 -605.94 10.71 -9.44 -1.39 0
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298523 117650584 1 N5O20C43H77 A5B20C43D77 -1034.63 4.63 -9.99 0.1 0
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298524 117650595 1 NO2C17H37 AB2C17D37 -169.45 1.65 -9.7 2.76 0
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298525 117650596 2 NC3H5 AB3C5 51.66 3.23 -9.0 -0.36 0
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298526 117650597 1 NO2C17H37 AB2C17D37 -167.91 1.27 -9.37 2.55 0
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298527 117650604 1 NO7C23H25 AB7C23D25 -153.56 7.03 -8.99 -1.55 0
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298528 117650612 2 N3O5C11H21 A3B5C11D21 -428.47 9.05 -9.53 0.36 0
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298529 117650613 2 N3O5C11H22 A3B5C11D22 -467.23 5.82 -9.6 0.38 0
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298530 117650619 2 ON4H9C12 AB4C9D12 157.57 5.45 -8.71 -0.92 0
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298531 117650623 2 O2C18H19 A2B18C19 -43.49 2.69 -9.06 -0.09 0
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298532 117650624 1 NO7C12H21 AB7C12D21 -338.23 2.42 -10.37 0.3 0
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298533 117650629 1 PO8C18H37 AB8C18D37 -466.28 2.69 -9.92 0.7 0
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298534 117650630 1 FNO6C17H18 ABC6D17E18 -257.01 1.53 -8.68 -0.98 0
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298535 117650633 1 NO5C14H19 AB5C14D19 -195.34 2.66 -8.52 -0.1 0
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298536 117650682 1 NO3C13H19 AB3C13D19 -95.8 2.37 -8.18 0.29 0
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298537 117650843 1 OC13H20 AB13C20 -52.87 1.75 -9.37 0.34 0
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298538 117650858 1 PN2C21H27 AB2C21D27 11.54 1.56 -7.84 0.46 0
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298539 117650878 1 NO4C11H15 AB4C11D15 -138.42 3.37 -8.84 -0.64 0
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298540 117650882 1 NSO3C11H15 ABC3D11E15 -106.31 7.39 -9.62 -0.92 0
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298541 117650897 1 O4N6C13H22 A4B6C13D22 -86.36 2.6 -9.38 -0.23 0
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298542 117650907 1 O2F9C11H11 A2B9C11D11 -533.86 3.2 -10.91 -0.5 0
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298543 117650914 1 N2O2C7H10 A2B2C7D10 -22.0 3.19 -9.42 0.01 0
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298544 117650935 1 O5C40H56 A5B40C56 -257.35 2.04 -8.37 0.26 0
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298545 117650936 1 ClFON3C15H15 ABCD3E15F15 -13.03 3.19 -8.9 -0.91 0
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298546 117650956 1 NO3C23H35 AB3C23D35 -173.41 4.48 -8.58 0.3 0
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298547 117650977 1 BrFOC21H26 ABCD21E26 -88.69 4.78 -8.6 -0.77 0
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298548 117651004 2 C2H2N3 A2B2C3 133.84 1.58 -10.14 -1.91 0
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298549 117651008 1 O2C19H30 A2B19C30 -91.48 2.61 -9.14 -0.06 1
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298550 117651032 1 PO5C26H44 AB5C26D44 -263.09 19.26 0.0 0.0 0
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298551 117651048 1 NO2C16H27 AB2C16D27 -94.39 2.03 -11.03 -1.04 0
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298552 117651052 1 NO2S4C7H7 AB2C4D7E7 -25.06 8.66 -8.13 -0.83 0
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298553 117651053 1 NaN3O4C11H20 AB3C4D11E20 -177.71 23.7 -8.42 -1.15 0
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298554 117651056 1 NO3C18H31 AB3C18D31 -132.83 4.57 -10.08 -1.18 0
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298555 117651058 1 NO6C12H19 AB6C12D19 -208.36 3.24 -10.02 -1.35 0
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298556 117651071 1 O4C9H16 A4B9C16 -206.75 3.63 -10.23 0.33 0
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298557 117651084 2 O2C8H9 A2B8C9 -157.0 1.03 -9.88 -0.28 0
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298558 117651089 1 PF2N3O9C20H23 AB2C3D9E20F23 -435.76 5.1 0.0 0.0 0
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298559 117651092 1 O4C9H14 A4B9C14 -194.72 2.89 -11.05 0.06 1
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298560 117651096 1 FPN3O9C25H32 ABC3D9E25F32 -416.21 4.62 0.0 0.0 1
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298561 117651109 1 FPN6O8C21H25 ABC6D8E21F25 -271.8 7.16 0.0 0.0 0
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298562 117651114 2 O2C5H8 A2B5C8 -198.09 2.77 -10.98 0.05 0
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298564 117651128 1 PF3N3O9C21H24 AB3C3D9E21F24 -483.55 5.11 0.0 0.0 0
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298565 117651129 1 NCl2O3H7C8 AB2C3D7E8 -44.3 8.02 -10.1 -1.29 0
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298566 117651130 1 O3N4C12H18 A3B4C12D18 -21.97 1.75 -9.78 -0.47 0
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298567 117651161 1 NO10C12H23 AB10C12D23 -474.9 3.01 -10.34 0.14 0
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298570 117651179 1 NCl2O3C10H11 AB2C3D10E11 -62.59 8.91 -9.96 -1.15 0
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298572 117651236 1 NCl2O2C9H9 AB2C2D9E9 -13.98 6.87 -10.18 -1.4 0
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298573 117651237 1 O4C15H16 A4B15C16 -154.29 1.8 -9.68 -0.09 0
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298574 117651241 1 ClN2O3C17H19 AB2C3D17E19 -24.94 8.24 -8.93 -1.15 0
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298575 117651283 1 ClN2O3H13C14 AB2C3D13E14 -18.28 8.57 -8.91 -0.99 0
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298576 117651286 1 PO2C20H43 AB2C20D43 -231.41 2.54 -9.81 1.44 1
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298577 117651300 1 FPN3O9C21H26 ABC3D9E21F26 -402.26 4.07 0.0 0.0 0
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298578 117651301 1 O2N5C18H25 A2B5C18D25 -23.15 2.19 -8.83 -0.69 0
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298580 117651308 1 FON3C13H16 ABC3D13E16 -45.07 3.6 -9.01 -0.27 0