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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14493 413267 1 N2O3C21H35 A2B3C21D35 -148.76 3.05 0.0 0.0 1
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14494 413269 1 N2O3C27H47 A2B3C27D47 -116.98 3.93 0.0 0.0 1
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14495 413281 1 ClON2C17H19 ABC2D17E19 7.22 2.75 -7.98 -0.44 0
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14496 413323 1 ClSN5H12C13 ABC5D12E13 117.85 3.04 -9.24 -1.81 0
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14497 413352 1 N2C11H12 A2B11C12 58.38 0.9 -8.35 -0.37 0
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14498 413355 1 NC22H41 AB22C41 -49.37 2.84 -7.5 0.88 0
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14499 413356 1 NC24H44 AB24C44 -61.17 2.07 0.0 0.0 1
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14500 413369 1 ClNOC12H19 ABCD12E19 -3.24 2.88 0.0 0.0 1
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14501 413376 1 NO2C6H13 AB2C6D13 -104.72 5.85 -9.98 0.79 0
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14502 413378 1 NOC9H13 ABC9D13 -38.31 1.87 -8.76 0.12 0
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14503 413379 2 SN3O4C8H8 AB3C4D8E8 -199.24 1.82 -9.05 -1.14 0
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14504 413380 2 SN3O3C8H8 AB3C3D8E8 -99.39 7.62 -9.18 -1.38 0
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14505 413391 1 AsC19H19 AB19C19 154.86 1.46 -8.05 0.16 0
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14506 413392 1 NSO2C21H29 ABC2D21E29 -61.91 2.2 -8.57 -0.1 0
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14507 413393 2 N3O6C7H12 A3B6C7D12 -441.85 2.56 -9.78 -1.18 0
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14508 413395 1 ClCo AB 73.5 2.33 -9.2 -7.85 2
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14509 413415 1 S2N9O16H17C28 A2B9C16D17E28 -128.05 3.03 -9.27 -3.08 0
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14511 413463 1 O3H18C25 A3B18C25 -19.14 5.86 -8.58 -0.83 0
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14512 413479 1 NO4C15H21 AB4C15D21 -150.99 2.82 -8.64 -0.78 0
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14513 413526 1 BrN5C8H10 AB5C8D10 49.65 2.31 -8.51 -0.28 0
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14514 413527 1 N5C14H15 A5B14C15 76.43 3.08 -8.33 -0.18 0
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14515 413540 2 NC9H10 AB9C10 60.87 2.69 -8.91 0.22 0
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14516 413541 1 SN2C8H10 AB2C8D10 44.66 2.5 -9.19 -0.3 0
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14517 413542 1 ON2C12H16 AB2C12D16 -8.28 3.02 -8.89 0.09 0
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14518 413546 1 N2C25H35 A2B25C35 64.04 2.84 0.0 0.0 1
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14519 413549 2 NC6H8 AB6C8 32.19 2.74 -8.88 0.24 0
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14520 413552 1 SO7C13H18 AB7C13D18 -289.48 3.17 -8.96 -0.28 0
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14521 413584 1 AsClN2O2C12H12 ABC2D2E12F12 -55.07 5.73 -8.5 -0.47 0
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14522 413586 1 AsOH23C26 ABC23D26 135.36 4.3 -8.32 -0.42 0
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14523 413599 1 N3O4C27H50 A3B4C27D50 -166.64 5.25 0.0 0.0 1
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14524 413600 3 NO3C11H14 AB3C11D14 -271.99 4.62 0.0 0.0 1
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14525 413652 1 SN6C12H12 AB6C12D12 126.9 6.58 -9.45 -1.4 0
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14526 413656 1 ClNO5C24H28 ABC5D24E28 -171.19 2.41 -8.49 -0.08 0
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14528 413659 1 N4O5H12C16 A4B5C12D16 -15.16 5.23 -9.57 -1.73 0
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14529 413672 1 ClN2O2C24H31 AB2C2D24E31 -78.59 2.9 -8.28 -0.57 0
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14530 413677 1 SN3O3C20H23 AB3C3D20E23 -23.38 7.98 -8.67 -1.0 0
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14531 413786 1 ClOPN2C5H10 ABCD2E5F10 -31.35 3.18 -9.96 0.44 0
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14532 413817 1 C4N5O5H7 A4B5C5D7 -56.3 4.66 -10.69 -1.47 0
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14533 413912 1 N4O5C11H14 A4B5C11D14 -50.47 7.24 -9.53 -1.49 0
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14534 413937 1 N5C13H19 A5B13C19 88.0 7.22 -9.46 -0.25 0
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14535 413938 1 NOC11H13 ABC11D13 -7.98 1.95 -8.9 -0.2 0
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14536 414019 1 BrH3N4C5 AB3C4D5 104.79 2.55 -10.82 -2.15 0
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14537 414066 2 N2O2C3H4 A2B2C3D4 -4.04 0.47 -9.56 -0.96 2
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14538 414073 2 NOC5H6 ABC5D6 -50.01 3.56 -9.79 -0.2 0
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14539 414076 1 BrNO2C8H10 ABC2D8E10 -55.27 4.46 -8.07 -0.04 0
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14540 414077 1 N2O4H8C11 A2B4C8D11 -35.95 6.17 -9.77 -1.55 0
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14541 414092 1 NOC8H19 ABC8D19 -79.02 1.67 -8.93 2.61 0
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14542 414139 1 NO3H12C13 AB3C12D13 -56.78 2.41 0.0 0.0 1
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14543 414149 1 PN2O2C14H15 AB2C2D14E15 -39.64 2.53 -8.85 -0.51 0
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14544 414194 1 NOC12H20 ABC12D20 -18.97 2.36 0.0 0.0 1
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14545 414389 1 N2C17H34 A2B17C34 -17.54 1.28 -8.48 1.83 2
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14546 414471 1 N2O2Cl3C9H10 A2B2C3D9E10 -78.62 3.07 0.0 0.0 1
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14547 414478 1 N3O3H16C17 A3B3C16D17 3.87 5.46 0.0 0.0 1
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14548 414479 1 O2N3H12C16 A2B3C12D16 28.66 4.48 0.0 0.0 1
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14549 414483 2 OC9H13 AB9C13 -118.21 5.36 -9.74 0.01 0
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14550 414486 1 SO4C15H31 AB4C15D31 -234.02 7.33 0.0 0.0 0
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14551 414523 1 ClNO2C13H19 ABC2D13E19 -44.9 14.19 0.0 0.0 1
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14552 414534 1 NOC10H13 ABC10D13 -18.79 2.15 -9.51 -0.47 0
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14553 414565 1 NO5C30H32 AB5C30D32 -132.0 2.15 0.0 0.0 1
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14557 414607 1 NCl2F3C13H16 AB2C3D13E16 -174.3 5.16 -9.49 -0.64 0
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14558 414613 1 NO5H12C14 AB5C12D14 -145.52 3.06 0.0 0.0 1
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14559 414673 2 SO2H4C6 AB2C4D6 -105.33 5.98 -8.59 -1.17 0
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14560 414755 2 ON4C13H15 AB4C13D15 21.31 5.01 -8.83 -0.4 0
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14561 414826 1 ON3C13H20 AB3C13D20 21.68 4.71 0.0 0.0 1
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14562 414830 1 ON3C15H22 AB3C15D22 39.18 2.83 0.0 0.0 1
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14563 414833 1 N5O8C29H29 A5B8C29D29 -260.16 5.28 -8.69 -0.96 0
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14564 414848 1 O2N4C13H19 A2B4C13D19 18.64 12.5 0.0 0.0 1
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14566 414929 1 SN4O7H16C20 AB4C7D16E20 -124.64 4.07 -9.19 -2.03 0
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14567 414963 1 NCl2C10H19 AB2C10D19 -45.96 2.29 -9.24 0.54 0
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14568 415025 1 S2C5H5N5O5 A2B5C5D5E5 -63.71 4.74 -11.2 -2.85 0
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14569 415091 1 O3N10H34C36 A3B10C34D36 43.56 8.14 -8.89 -1.35 0
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14570 415104 1 ClO2N8H25C26 AB2C8D25E26 41.21 1.45 -8.38 -1.12 0
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14571 415128 1 SO2N4C13H19 AB2C4D13E19 -47.04 4.52 0.0 0.0 1
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14572 415134 1 P3N9C32H40 A3B9C32D40 23.79 2.96 -7.23 -0.2 0
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14573 415152 1 ON2C26H26 AB2C26D26 32.62 4.52 -8.52 -0.67 0
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14574 415165 1 OS2N4C20H20 AB2C4D20E20 71.42 4.84 -8.81 -0.75 0
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14575 415237 1 N2C16H33 A2B16C33 -3.16 1.54 0.0 0.0 1
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14576 415245 1 NO3H17C22 AB3C17D22 -34.69 2.81 -9.36 -0.78 0
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14577 415248 2 NO2C13H18 AB2C13D18 -139.21 5.41 -8.8 0.08 0
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14578 415249 1 OCl2N2C24H24 AB2C2D24E24 15.81 6.04 -8.76 -0.31 0
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14579 415254 2 NO2C11H14 AB2C11D14 -135.65 0.66 -9.92 -0.27 0
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14580 415334 1 OPCl3N3C23H23 ABC3D3E23F23 -61.15 6.02 -8.79 -0.31 0
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14581 415340 1 O3N4C6H8 A3B4C6D8 4.88 1.33 -9.61 -1.23 0
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14582 415362 1 ClON2H15C16 ABC2D15E16 28.42 4.68 -7.74 -0.48 0
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14583 415387 1 ClON3C5H6 ABC3D5E6 -6.14 5.23 -8.5 -0.53 0
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14584 415398 1 O2N5C9H13 A2B5C9D13 -19.66 3.46 -8.87 -0.82 0
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14585 415416 1 SN2O4C8H11 AB2C4D8E11 -138.37 6.1 0.0 0.0 1
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14586 415418 1 PCl2N3O4C16H18 AB2C3D4E16F18 -127.85 6.23 -9.28 -1.3 0
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14587 415419 1 NO4C10H13 AB4C10D13 -158.24 10.04 -9.01 -0.47 0
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14588 415438 1 ON7C9H13 AB7C9D13 55.82 5.28 -9.64 -1.39 0
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14589 415517 1 NO2C28H45 AB2C28D45 -150.17 1.89 -8.96 0.94 0
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14590 415523 1 O2N5C13H26 A2B5C13D26 -59.19 4.02 0.0 0.0 1
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14591 415621 2 N2C3H3 A2B3C3 91.95 5.89 -9.33 -1.16 0
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14592 415627 1 OC9H10 AB9C10 -16.81 1.62 -8.61 0.13 0
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14593 415683 1 S2N6O9H24C27 A2B6C9D24E27 -277.63 8.26 -8.73 -0.92 0
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14594 415734 1 PCl2N2O3C14H31 AB2C2D3E14F31 -278.79 1.98 -9.35 0.16 0
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14595 415737 1 C3N4H10 A3B4C10 31.64 2.24 -8.38 1.05 0
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14596 415747 1 PCl2N3O6C34H36 AB2C3D6E34F36 -247.29 6.04 -8.15 -0.8 0
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14598 415850 1 PC20H32 AB20C32 17.63 10.7 0.0 0.0 0
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14599 415865 2 NOC13H16 ABC13D16 -44.13 5.68 -8.99 -0.68 0