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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1413 4362 1 NO2C6H7 AB2C6D7 -59.51 1.08 -10.57 -1.5 0
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1414 4363 1 SN2O4C9H16 AB2C4D9E16 -186.12 4.61 -9.09 0.04 0
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1415 4365 1 SN2O4C15H20 AB2C4D15E20 -161.07 1.22 -8.57 0.01 0
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1416 4376 1 NO4C5H9 AB4C5D9 -176.81 4.69 -9.89 -0.24 0
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1417 4381 1 NO4C7H15 AB4C7D15 -187.8 5.49 -9.29 1.29 0
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1418 4385 1 N3O4C11H21 A3B4C11D21 -221.01 2.83 -9.89 0.38 0
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1419 4386 1 NO2H11C13 AB2C11D13 -34.46 5.52 -8.92 -0.7 0
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1420 4388 1 NO5C7H13 AB5C7D13 -234.6 4.29 -10.5 -0.05 0
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1421 4389 1 NO5C9H13 AB5C9D13 -229.05 6.31 -10.68 -0.44 0
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1422 4391 1 SN2O4C10H16 AB2C4D10E16 -149.7 7.34 -8.9 -0.6 0
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1423 4395 1 O2N3C7H15 A2B3C7D15 -91.89 7.98 -9.44 0.55 0
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1424 4400 1 O4N6C19H22 A4B6C19D22 -86.49 5.79 -9.02 -0.67 0
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1425 4403 1 PN5O7C11H16 AB5C7D11E16 -299.93 4.65 -8.94 -0.58 0
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1426 4404 1 N5O5C18H19 A5B5C18D19 -116.0 5.03 -9.06 -1.23 0
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1427 4406 1 SO4N5C27H31 AB4C5D27E31 -93.54 7.4 -9.52 -1.2 0
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1428 4407 2 ClH2O2C5 AB2C2D5 -118.34 0.5 -9.38 -2.34 0
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1429 4408 1 PO10C12H19 AB10C12D19 -511.13 4.21 -11.14 -0.12 0
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1430 4411 1 NO4C17H27 AB4C17D27 -190.71 4.17 -9.04 0.09 0
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1431 4414 1 SN2O5C21H21 AB2C5D21E21 -130.29 4.98 0.0 0.0 -1
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1432 4415 1 SN2O5C21H22 AB2C5D21E22 -160.01 1.29 -8.78 -0.66 0
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1433 4419 1 NO4C21H27 AB4C21D27 -138.08 5.9 -8.33 0.25 0
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1434 4422 1 NO3C21H25 AB3C21D25 -71.73 3.65 -8.44 0.14 0
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1435 4423 1 NO3C19H21 AB3C19D21 -59.58 3.05 -8.56 0.0 0
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1436 4428 1 NO4C20H23 AB4C20D23 -105.17 5.12 -8.82 -0.25 0
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1437 4430 1 N2O3C26H26 A2B3C26D26 4.31 2.32 -7.72 -0.26 0
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1438 4439 1 O11C42H70 A11B42C70 -586.39 11.64 -9.52 -0.16 0
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1439 4442 1 ON3C17H17 AB3C17D17 24.13 4.96 -8.74 -0.45 0
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1440 4443 1 NO3C19H27 AB3C19D27 -151.05 2.62 -9.64 0.06 0
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1441 4449 1 ClO2N5C25H32 AB2C5D25E32 -20.05 2.7 -8.41 0.0 0
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1442 4450 1 NOC17H19 ABC17D19 11.98 2.33 -8.6 0.08 0
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1443 4454 1 N6O13C23H46 A6B13C23D46 -585.34 5.36 -9.56 0.16 0
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1444 4455 1 O4N5C9H11 A4B5C9D11 -106.32 5.96 -10.03 -1.5 0
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1445 4456 1 N2O2C12H19 A2B2C12D19 -30.6 1.93 0.0 0.0 1
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1446 4462 2 O2C7H9 A2B7C9 -116.53 2.91 -8.65 -1.7 0
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1447 4464 1 N2S3H12O12C17 A2B3C12D12E17 -337.26 5.84 -10.23 -2.54 0
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1448 4466 1 N4S6O21H26C35 A4B6C21D26E35 -708.81 2.99 -9.39 -2.53 0
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1449 4471 1 O2N4C7H17 A2B4C7D17 -73.03 3.96 0.0 0.0 1
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1450 4479 1 P2N7O15C26H36 A2B7C15D26E36 -694.03 9.76 0.0 0.0 1
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1451 4481 1 P2N6O15C21H27 A2B6C15D21E27 -630.01 13.77 0.0 0.0 1
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1452 4482 3 PN2O6C7H9 AB2C6D7E9 -861.49 25.16 -8.95 -2.7 0
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1453 4484 1 NPO9C11H14 ABC9D11E14 -397.31 11.76 -10.34 -2.29 0
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1454 4491 1 O2N3H13C17 A2B3C13D17 30.08 5.78 -8.76 -1.02 0
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1455 4492 1 N4O9C22H28 A4B9C22D28 -350.5 6.65 -9.76 -0.92 0
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1456 4493 1 F3N3O4H10C12 A3B3C4D10E12 -228.32 11.07 -10.26 -1.78 0
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1457 4496 1 N3O3H13C16 A3B3C13D16 27.21 2.36 -9.81 -1.67 0
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1458 4498 1 NO2C6H11 AB2C6D11 -98.54 4.63 -9.58 0.44 0
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1459 4508 1 O6N10H32C41 A6B10C32D41 285.44 9.0 -7.38 -2.25 2
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1460 4509 1 N4O5H6C8 A4B5C6D8 -43.33 5.42 -9.94 -1.85 0
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1461 4511 1 N3H5O5C7 A3B5C5D7 -22.09 4.67 -11.34 -2.39 0
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1462 4518 1 O2C4N5H13 A2B4C5D13 20.14 6.14 -9.13 -0.27 0
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1463 4519 1 O2C4N5H12 A2B4C5D12 30.51 4.76 0.0 0.0 -1
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1464 4527 2 N2O2C3H5 A2B2C3D5 -101.94 3.45 -11.15 -1.07 0
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1465 4533 1 N3O6C40H43 A3B6C40D43 -141.13 2.38 -8.47 -0.05 0
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1466 4537 2 OC10H13 AB10C13 -60.96 4.67 -9.15 0.76 0
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1467 4538 1 NO2C8H11 AB2C8D11 -70.49 2.8 -9.15 0.06 0
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1468 4539 1 FN3O3C16H18 AB3C3D16E18 -134.29 13.13 -8.98 -0.99 0
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1469 4546 1 N2O11C31H36 A2B11C31D36 -420.5 6.91 -8.8 -0.67 0
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1470 4554 1 BrCl3C10H14 AB3C10D14 -38.18 2.66 -9.32 -0.53 0
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1471 4556 1 NO2C19H23 AB2C19D23 -61.54 3.67 -8.79 -0.49 0
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1472 4557 1 O2C17H24 A2B17C24 5.64 2.48 -9.64 -0.54 0
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1473 4561 2 OC18H27 AB18C27 -97.39 3.24 -8.46 0.04 0
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1474 4562 1 O2C31H46 A2B31C46 -96.39 1.81 -8.54 0.0 0
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1475 4564 1 ON5C12H17 AB5C12D17 8.58 6.21 -8.73 -0.44 0
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1476 4566 1 SO3N6C18H22 AB3C6D18E22 -40.36 11.92 -8.89 -0.85 0
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1477 4567 1 NO2C19H25 AB2C19D25 -66.72 2.39 -9.04 0.11 0
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1478 4572 1 P2N3C9O11H13 A2B3C9D11E13 -436.33 5.33 -9.85 -1.61 0
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1479 4573 1 NO3C10H13 AB3C10D13 -105.08 4.12 -9.66 0.06 0
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1480 4575 1 NO4C21H21 AB4C21D21 -116.72 5.44 -8.69 -0.93 0
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1481 4577 1 N2P2C8O9H12 A2B2C8D9E12 -428.35 3.6 -9.14 -1.36 0
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1482 4579 1 O3C28H44 A3B28C44 -166.36 4.63 -9.99 -0.93 0
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1483 4580 1 ClNO6H18C20 ABC6D18E20 -236.31 8.12 -9.71 -1.67 0
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1484 4581 1 NO2C8H11 AB2C8D11 -69.86 2.71 -9.05 0.01 0
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1485 4582 1 S3N4O5C23H36 A3B4C5D23E36 -212.37 0.8 -8.29 -0.88 0
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1486 4583 1 FN3O4C18H20 AB3C4D18E20 -167.21 10.33 -8.76 -1.18 0
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1487 4584 1 O13C44H68 A13B44C68 -631.2 6.5 -9.46 0.28 0
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1488 4585 1 SN4C17H20 AB4C17D20 78.03 4.88 -7.78 -0.83 0
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1489 4587 1 NO12C35H61 AB12C35D61 -559.93 1.65 -9.1 0.38 0
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1490 4588 1 OF3C19H33 AB3C19D33 -239.89 2.9 -9.58 1.01 0
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1491 4589 1 NPO5C25H52 ABC5D25E52 -333.19 13.89 -9.05 -0.34 0
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1492 4590 1 NPO5C25H53 ABC5D25E53 -328.51 10.3 0.0 0.0 1
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1493 4592 1 ON6C15H18 AB6C15D18 39.79 1.97 -8.36 -0.05 0
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1494 4594 1 SN3O3C17H19 AB3C3D17E19 -37.55 2.86 -8.46 -0.44 0
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1495 4596 1 O4N6C23H30 A4B6C23D30 -96.03 1.44 -8.77 -0.75 0
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1496 4597 1 NO7C12H15 AB7C12D15 -203.4 5.97 -9.99 -1.39 0
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1497 4599 1 NO5C29H53 AB5C29D53 -303.22 7.5 -10.22 0.35 0
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1498 4600 1 O6C23H38 A6B23C38 -307.96 2.17 -9.72 0.55 0
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1499 4601 1 NOC18H23 ABC18D23 -2.92 2.03 -8.81 0.32 0
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1500 4603 2 NO2C8H14 AB2C8D14 -201.87 2.97 -9.43 -0.4 0
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1501 4605 1 O12C29H44 A12B29C44 -554.49 6.31 -9.96 -0.33 0
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1502 4606 1 NOSC8H18 ABCD8E18 -28.69 2.15 0.0 0.0 1
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1503 4607 1 SN3O5H18C19 AB3C5D18E19 -100.42 2.94 0.0 0.0 -1
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1504 4608 1 SN3O5C19H19 AB3C5D19E19 -118.32 3.97 -9.63 -0.75 0
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1505 4609 1 PtN2O4C8H14 AB2C4D8E14 -65.1 3.89 -10.1 -1.58 0
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1506 4610 2 NC3H7 AB3C7 -19.62 3.07 -9.14 3.12 0
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1507 4615 1 ON4C27H30 AB4C27D30 41.01 1.39 -8.72 -0.2 0
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1508 4616 1 ClN2O2H11C15 AB2C2D11E15 -19.4 4.37 -9.49 -1.14 0
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1509 4618 1 PS2O4C6H15 AB2C4D6E15 -234.43 4.82 -8.52 -0.37 0
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1510 4619 1 NO3C20H33 AB3C20D33 -138.39 2.25 -8.72 0.2 0
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1511 4621 1 N3O3C28H41 A3B3C28D41 -112.35 7.08 -8.93 0.1 0
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1512 4622 3 NOC4H5 ABC4D5 -87.93 0.93 -8.37 -0.34 0