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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17305 492306 1 SN6O14C37H58 AB6C14D37E58 -705.18 7.31 -9.98 -0.58 0
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17306 492307 1 SN6O14C34H54 AB6C14D34E54 -707.11 8.13 -8.96 -0.37 0
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17307 492324 1 SN4O7C22H38 AB4C7D22E38 -346.88 6.18 -8.95 0.13 0
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17308 492426 1 N2O5C20H26 A2B5C20D26 -195.95 4.07 -9.41 -0.53 0
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17309 492455 1 N7O12C50H67 A7B12C50D67 -513.43 10.42 -9.15 -1.17 0
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17310 492460 1 O5H12C14 A5B12C14 -154.4 3.42 -9.82 -1.88 0
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17311 492461 1 O5H14C15 A5B14C15 -148.49 4.22 -9.8 -1.81 0
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17312 492472 1 SO7C15H20 AB7C15D20 -288.47 5.84 -9.55 -0.84 0
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17313 492746 1 ClSN4C14H17 ABC4D14E17 35.61 3.73 -8.9 -0.62 0
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17314 492812 1 ClOSN3H10C12 ABCD3E10F12 24.62 4.85 -9.14 -0.76 0
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17315 492823 1 ClOSN4C11H11 ABCD4E11F11 19.32 3.47 -9.13 -0.99 0
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17316 492824 1 BrClSN4H10C11 ABCD4E10F11 57.75 3.38 -9.01 -0.84 0
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17317 492825 1 OSCl2N4H16C18 ABC2D4E16F18 36.9 5.4 -8.79 -0.66 0
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17318 492834 1 ClSN5H10C12 ABC5D10E12 90.39 6.18 -9.24 -1.01 0
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17319 492865 1 ClOSN4H11C14 ABCD4E11F14 77.99 3.51 -9.11 -0.79 0
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17320 492878 1 N4O5C35H40 A4B5C35D40 -28.35 8.73 -8.71 -1.45 0
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17321 492879 1 ON2C29H38 AB2C29D38 11.89 3.56 -8.53 0.4 0
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17322 492880 1 ON2C32H44 AB2C32D44 -4.37 3.64 -8.53 0.42 0
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17323 492963 1 PSN5O5F6C19H20 ABC5D5E6F19G20 -483.64 5.78 -8.6 -0.62 0
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17324 492978 1 Cl2N5O5C22H23 A2B5C5D22E23 -172.91 9.36 -9.33 -0.75 0
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17325 492979 1 Cl2F3N5O5H20C22 A2B3C5D5E20F22 -326.06 3.73 -9.21 -0.99 0
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17326 493004 1 SO10N14C51H96 AB10C14D51E96 -572.76 11.81 -9.06 -0.42 0
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17327 493005 1 SO10N15C52H99 AB10C15D52E99 -559.07 4.26 -9.1 -0.18 0
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17328 493006 1 SO11N15C50H93 AB11C15D50E93 -602.16 10.87 -9.27 -0.15 0
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17329 493061 1 PN4O5C8H15 AB4C5D8E15 -240.71 1.83 -9.17 0.18 0
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17330 493062 1 PSN3O5C8H14 ABC3D5E8F14 -233.09 3.88 -8.95 -0.39 0
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17331 493073 1 BrN2O5C21H23 AB2C5D21E23 -172.55 2.92 -9.0 -1.06 0
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17332 493091 1 SO2N3C21H27 AB2C3D21E27 -42.68 5.2 -8.56 -0.19 0
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17333 493136 1 SN4C8H10 AB4C8D10 82.84 3.24 -8.87 -0.88 0
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17334 493281 1 O3N4H16C18 A3B4C16D18 44.01 3.44 -8.9 -1.32 0
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17335 493283 1 ClN3O3H20C21 AB3C3D20E21 -42.75 1.73 -8.95 -0.67 0
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17336 493284 1 N6O14C45H58 A6B14C45D58 -615.67 6.36 -9.81 -0.46 0
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17337 493376 1 O7C20H20 A7B20C20 -203.18 5.64 -8.4 -0.78 0
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17338 493392 1 NS3O5C16H17 AB3C5D16E17 -140.18 4.16 -9.05 -1.44 0
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17339 493468 1 S2O4N5C27H31 A2B4C5D27E31 -93.94 7.14 -8.82 -1.18 0
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17340 493469 2 ON3C16H20 AB3C16D20 5.38 6.64 -8.62 -0.9 0
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17341 493474 1 N2O5C22H34 A2B5C22D34 -217.05 4.9 -9.18 -1.07 0
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17342 493588 1 NO9C11H17 AB9C11D17 -396.97 8.74 -9.29 -0.11 0
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17343 493589 1 NO8C13H23 AB8C13D23 -379.56 7.73 -10.06 -0.19 0
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17344 493614 1 N2Si2O7C25H44 A2B2C7D25E44 -419.07 4.51 -8.96 -0.82 0
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17345 493715 1 O2C61H94 A2B61C94 -29.5 1.29 -8.84 0.48 0
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17346 493716 1 FN5H10C14 AB5C10D14 63.71 2.49 -9.02 -0.78 0
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17347 493728 1 N5H13C15 A5B13C15 104.95 3.4 -8.89 -0.62 0
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17348 493758 1 BrN5H12C16 AB5C12D16 123.33 2.6 -9.04 -0.94 0
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17349 493797 1 NO9H19C21 AB9C19D21 -311.12 7.69 -9.14 -1.4 0
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17350 493817 1 OC15H20 AB15C20 -39.72 1.61 -9.35 0.35 0
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17351 493819 1 ON2C29H32 AB2C29D32 25.32 5.13 -8.77 -0.01 0
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17352 493821 1 N5O6C41H53 A5B6C41D53 -199.71 5.55 -8.94 -0.87 0
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17353 493823 1 N5O6C40H51 A5B6C40D51 -188.94 9.73 -9.08 -0.48 0
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17354 493824 1 N5O6C39H47 A5B6C39D47 -155.33 6.41 -8.96 -0.89 0
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17355 493825 1 N5O6C40H49 A5B6C40D49 -166.69 0.95 -8.6 -0.73 0
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17356 493826 1 N5O6C41H51 A5B6C41D51 -191.08 3.41 -8.85 -0.85 0
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17357 493962 2 NO2C8H8 AB2C8D8 -127.86 0.42 -9.16 -0.4 0
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17358 493963 1 Br2O2C21H28 A2B2C21D28 -107.41 8.88 -9.99 -0.93 0
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17359 494081 1 NPO3H21C26 ABC3D21E26 71.15 8.98 0.0 0.0 1
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17360 494082 2 O4C9H9 A4B9C9 -253.85 2.26 -10.28 -0.81 0
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17361 494121 1 NSC11H16 ABC11D16 14.38 3.0 0.0 0.0 1
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17362 494122 1 N3H12C13 A3B12C13 94.68 1.26 0.0 0.0 1
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17363 494189 3 N2C7H7 A2B7C7 145.76 0.09 0.0 0.0 3
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17364 494259 2 NOSC8H13 ABCD8E13 -143.55 0.28 -9.11 -0.03 0
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17365 494262 1 N5O5C11H15 A5B5C11D15 -157.05 12.08 -9.32 -0.3 0
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17366 494268 1 ClN4O4H17C19 AB4C4D17E19 -56.91 6.06 -9.06 -2.0 0
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17367 494344 1 SiO3N5C23H31 AB3C5D23E31 -104.18 4.14 -9.01 -0.82 0
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17368 494437 1 O3C14H26 A3B14C26 -196.75 3.58 -9.74 2.42 0
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17369 494438 2 O2C10H13 A2B10C13 -168.58 3.37 -9.44 0.26 0
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17370 494463 1 NO2C14H25 AB2C14D25 -112.69 4.12 -9.53 0.94 0
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17371 494516 1 NSO9C23H25 ABC9D23E25 -293.57 4.31 -8.52 -0.47 0
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17372 494536 1 NO5C21H23 AB5C21D23 -173.66 6.96 -8.53 -0.12 0
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17373 494554 1 NO4C17H25 AB4C17D25 -155.0 7.31 -8.9 -0.46 0
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17374 494650 1 NO5C10H15 AB5C10D15 -200.35 3.89 -9.9 -0.12 0
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17375 494651 1 O4N5C10H13 A4B5C10D13 -84.19 7.16 -9.88 -1.34 0
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17376 494654 1 NO13C41H55 AB13C41D55 -547.85 2.11 -9.04 -0.03 0
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17378 494712 1 O3C13H16 A3B13C16 -95.57 1.57 -9.71 -0.46 0
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17379 494718 1 N2O2H18C19 A2B2C18D19 -20.73 2.32 -8.52 -0.13 0
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17380 494740 2 OC7H11 AB7C11 -106.97 3.76 -9.55 0.93 0
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17381 494767 1 NO3C19H27 AB3C19D27 -158.65 4.2 -9.36 -0.3 0
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17382 494874 1 O4C15H24 A4B15C24 -218.12 5.53 -10.52 0.86 0
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17383 494929 1 N5O6C12H19 A5B6C12D19 -186.83 2.83 -6.44 -0.41 2
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17384 494986 1 N6O6H22C33 A6B6C22D33 59.66 2.95 -9.38 -1.35 0
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17385 495126 1 NO3C11H19 AB3C11D19 -156.82 1.7 -9.99 0.63 0
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17386 495312 2 O2H7C8 A2B7C8 -80.5 2.91 -9.01 -1.41 0
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17387 495313 2 O2C9H9 A2B9C9 -98.46 2.27 -8.83 -1.42 0
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17388 495349 1 OS4C10H18 AB4C10D18 -51.63 2.73 -8.75 0.04 0
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17389 495485 1 O5C33H52 A5B33C52 -303.61 3.36 -9.77 0.7 0
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17390 495486 1 O2S2C11H18 A2B2C11D18 -83.66 2.45 -8.36 0.45 0
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17391 495487 1 NOC17H29 ABC17D29 -84.08 4.82 -9.8 1.32 0
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17392 495523 1 O5C29H40 A5B29C40 -259.25 5.12 -9.16 -0.21 0
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17393 495595 1 O5H36C37 A5B36C37 -107.27 2.0 -8.2 -0.34 0
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17394 495609 1 NSiO8C25H33 ABC8D25E33 -321.29 9.29 -8.46 -0.42 0
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17395 495729 1 O4C13H14 A4B13C14 -132.9 4.54 -9.59 -0.75 0
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17396 495731 2 O5C13H16 A5B13C16 -420.4 5.43 -9.87 -0.3 0
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17397 495823 1 N2F3O3C21H21 A2B3C3D21E21 -255.11 6.08 -9.46 -0.75 0
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17398 495886 1 NOC17H19 ABC17D19 21.71 2.38 -9.28 -0.01 0
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17399 495888 1 NO2C14H21 AB2C14D21 -49.0 2.1 -8.75 -0.06 0
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17400 495940 1 NO2C20H29 AB2C20D29 -110.54 0.88 -8.52 0.2 0
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17401 495981 1 O9C24H28 A9B24C28 -338.18 5.61 -9.95 -0.02 0
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17402 496041 3 OC5H8 AB5C8 -115.48 0.2 -9.71 1.69 0
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17403 496058 1 O5C23H30 A5B23C30 -232.04 5.54 -9.94 -0.86 0
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17404 496141 1 O5H22C23 A5B22C23 -167.3 9.75 -9.31 -0.78 0
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17405 496145 1 N4O6C43H52 A4B6C43D52 -211.47 1.75 -7.83 -0.29 0