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| "[C@H;D3;+0:5]": 375, | |
| "[CH3;D1;+0:7]": 376, | |
| "[CH;D1;+0:7]": 377, | |
| "[CH;D3;+0:9]": 378, | |
| "[N;-;D1;H0:8]": 379, | |
| "[NH;D2;+0:12]": 380, | |
| "[O;H0;D2;+0:10]": 381, | |
| "[SH;D1;+0:8]": 382, | |
| "[OH;D1;+0:10]": 383, | |
| "[#7;a:13]": 384, | |
| "[#8:12]": 385, | |
| "[C;D1;H2:6]": 386, | |
| "[C;H0;D4;+0:6]": 387, | |
| "[N;H0;D3;+0:2]": 388, | |
| "[O;D1;H1:10]": 389, | |
| "[O;H0;D1;+0:8]": 390, | |
| "[S;H0;D2;+0:3]": 391, | |
| "[Sn;H0;D4;+0:1]": 392, | |
| "[nH;D2;+0:10]": 393, | |
| "[C@@H;D3;+0:6]": 394, | |
| "[c;H0;D3;+0:12]": 395, | |
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| "[CH;D2;+0:10]": 397, | |
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| "[n;H0;D2;+0:2]": 401, | |
| "[n;H0;D3;+0:11]": 402, | |
| "[nH;D2;+0:11]": 403, | |
| "[nH;D2;+0:3]": 404, | |
| "[CH2;D1;+0:4]": 405, | |
| "[Cu]": 406, | |
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| "[NH3;D0;+0:6]": 408, | |
| "[O-;H0;D1:6]": 409, | |
| "[O;H0;D2;+0:2]": 410, | |
| "[S;H0;D1;+0:9]": 411, | |
| "[cH;D2;+0:9]": 412, | |
| "[s;H0;D2;+0:9]": 413, | |
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| "[C;D1;H2:1]": 416, | |
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| "[NH3;D0;+0:5]": 418, | |
| "[NH3;D0;+0:7]": 419, | |
| "[O;D1;H0:14]": 420, | |
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| "[#7;+:6]": 426, | |
| "[#7;a:14]": 427, | |
| "[#8;a:10]": 428, | |
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| "[CH;D1;+0:8]": 430, | |
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| "[N;-;D1;H0:7]": 432, | |
| "[N;D1;H0:2]": 433, | |
| "[N;D1;H2:9]": 434, | |
| "[NH2;D1;+0:13]": 435, | |
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| "[N;H0;D2;+0:1]": 437, | |
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| "[#15:2]": 441, | |
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| "[CH2;D1;+0:6]": 450, | |
| "[CH2;D1;+0:8]": 451, | |
| "[CH3;D1;+0:3]": 452, | |
| "[I;H0;D1;+0:1]": 453, | |
| "[NH3;D0;+0:4]": 454, | |
| "[S;H0;D1;+0:10]": 455, | |
| "[S;H0;D1;+0:12]": 456, | |
| "[S;H0;D3;+0:5]": 457, | |
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| "[n;H0;D3;+0:3]": 459, | |
| "[s;H0;D2;+0:10]": 460, | |
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| "[C;D1;H3:16]": 469, | |
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| "[N;H0;D1;+0:4]": 478, | |
| "[N;H0;D3;+0:12]": 479, | |
| "[NH;D2;+0:13]": 480, | |
| "[O;D1;H1:11]": 481, | |
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| "[S;D1;H0:7]": 483, | |
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| "[SH;D1;+0:9]": 485, | |
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| "[n;H0;D3;+0:2]": 487, | |
| "[N+;H0;D4:4]": 488, | |
| "[NH;D2;+0:14]": 489, | |
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| "[P;H0;D4;+0:2]": 491, | |
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| "[#8:13]": 497, | |
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| "[C;D1;H3:17]": 499, | |
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| "[CH2;D1;+0:3]": 502, | |
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| "[N-]": 507, | |
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| "[O-;H0;D1:1]": 510, | |
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| "[S;H0;D3;+0:4]": 517, | |
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| "[s;H0;D2;+0:11]": 519, | |
| "[C-;H0;D1:6]": 520, | |
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| "[NH4+;D0:4]": 522, | |
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| "[S-;H0;D1:5]": 524, | |
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| "[n;H0;D3;+0:12]": 526, | |
| "[#14:2]": 527, | |
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| "[#5:2]": 529, | |
| "[#7:13]": 530, | |
| "[#7;+:8]": 531, | |
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| "[B;H0;D3;+0:6]": 533, | |
| "[C;D1;H1:6]": 534, | |
| "[C;D1;H2:10]": 535, | |
| "[CH;D1;+0:9]": 536, | |
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| "[N;D1;H2:12]": 541, | |
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| "[O;D1;H0:15]": 544, | |
| "[S;D1;H0:9]": 545, | |
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| "[o;H0;D2;+0:6]": 547, | |
| "[s;H0;D2;+0:8]": 548, | |
| ":3": 549, | |
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| "[CH;D1;+0:1]": 553, | |
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| "[NH4+;D0:6]": 557, | |
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| "[SH;D1;+0:3]": 559, | |
| "[n;H0;D2;+0:1]": 560, | |
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| "[#14:7]": 562, | |
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| "[#7;a;+:5]": 564, | |
| "[#8:15]": 565, | |
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| "[CH2;D2;+0:11]": 569, | |
| "[CH2;D2;+0:12]": 570, | |
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| "[CH2;D2;+0:19]": 572, | |
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| "[N;D1;H0:10]": 577, | |
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| "[N;H0;D2;+0:10]": 579, | |
| "[N;H0;D2;+0:12]": 580, | |
| "[NH3+;D1:5]": 581, | |
| "[NH4+;D0:9]": 582, | |
| "[NH;D2;+0:16]": 583, | |
| "[O;D1;H1:12]": 584, | |
| "[O;D1;H1:13]": 585, | |
| "[S;D1;H0:10]": 586, | |
| "[S;D1;H0:5]": 587, | |
| "[n;H0;D2;+0:15]": 588, | |
| "[nH;D2;+0:12]": 589, | |
| "[nH;D2;+0:13]": 590, | |
| "[s;H0;D2;+0:6]": 591, | |
| "-3": 592, | |
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| "[C-;H0;D1:3]": 594, | |
| "[CH2;D1;+0:11]": 595, | |
| "[CH2;D1;+0:9]": 596, | |
| "[CH3;D1;+0:8]": 597, | |
| "[CH;D1;+0:3]": 598, | |
| "[CH;D2;+0:12]": 599, | |
| "[N+;H0;D2:5]": 600, | |
| "[N+;H0;D4:3]": 601, | |
| "[N+;H0;D4:6]": 602, | |
| "[N;H0;D2;+0:11]": 603, | |
| "[NH2;D1;+0:16]": 604, | |
| "[NH2;D1;+0:17]": 605, | |
| "[NH3+;D1:1]": 606, | |
| "[NH;D1;+0:5]": 607, | |
| "[NH;D1;+0:7]": 608, | |
| "[OH2;D0;+0:5]": 609, | |
| "[S-;H0;D1:8]": 610, | |
| "[S;H0;D1;+0:13]": 611, | |
| "[S;H0;D1;+0:6]": 612, | |
| "[S;H0;D1;+0:7]": 613, | |
| "[Sn;H0;D4;+0:6]": 614, | |
| "[Zn]": 615, | |
| "[n;H0;D3;+0:14]": 616, | |
| "[s;H0;D2;+0:13]": 617, | |
| "[#14:8]": 618, | |
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| "[#34;a:2]": 621, | |
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| "[#8:14]": 625, | |
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| "[C;D1;H1:8]": 631, | |
| "[C;D1;H1:9]": 632, | |
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| "[C;D1;H3:21]": 634, | |
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| "[CH2;D2;+0:22]": 639, | |
| "[CH3;D1;+0:14]": 640, | |
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| "[NH3+;D1:8]": 654, | |
| "[NH3;D0;+0:8]": 655, | |
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| "[O-;H0;D1:3]": 658, | |
| "[O;D1;H1:14]": 659, | |
| "[O;H0;D1;+0:10]": 660, | |
| "[O;H0;D2;+0:12]": 661, | |
| "[OH;D1;+0:12]": 662, | |
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| "[S;H0;D4;+0:4]": 664, | |
| "[S;H0;D4;+0:5]": 665, | |
| "[Sn;H0;D4;+0:4]": 666, | |
| "[Sn;H0;D4;+0:7]": 667, | |
| "[n+;H0;D3:5]": 668, | |
| "[n;H0;D2;+0:14]": 669, | |
| "[n;H0;D3;+0:13]": 670, | |
| "[n;H0;D3;+0:15]": 671, | |
| "[n;H0;D3;+0:16]": 672, | |
| "[nH;D2;+0:2]": 673, | |
| "[o;H0;D2;+0:3]": 674, | |
| "[s;H0;D2;+0:7]": 675, | |
| "[C-;H0;D1:5]": 676, | |
| "[C;H0;D2;+0:11]": 677, | |
| "[C;H0;D3;+0:14]": 678, | |
| "[C;H0;D4;+0:8]": 679, | |
| "[C@;H0;D4;+0:2]": 680, | |
| "[C@;H0;D4;+0:3]": 681, | |
| "[C@@;H0;D4;+0:5]": 682, | |
| "[C@@H;D3;+0:10]": 683, | |
| "[C@@H;D3;+0:13]": 684, | |
| "[CH2;D1;+0:2]": 685, | |
| "[CH2;D2;+0:13]": 686, | |
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| "[CH;D3;+0:13]": 689, | |
| "[Cl;H0;D1;+0:6]": 690, | |
| "[N+;H0;D2:6]": 691, | |
| "[N+;H0;D2:8]": 692, | |
| "[N-;H0;D1:9]": 693, | |
| "[N;H0;D3;+0:14]": 694, | |
| "[N;H0;D3;+0:17]": 695, | |
| "[NH2+;D2:5]": 696, | |
| "[NH3+;D1:9]": 697, | |
| "[NH;D1;+0:9]": 698, | |
| "[NH;D2;+0:17]": 699, | |
| "[O-;H0;D1:10]": 700, | |
| "[OH2;D0;+0:6]": 701, | |
| "[OH;D1;+0:13]": 702, | |
| "[S-;H0;D1:7]": 703, | |
| "[S;H0;D1;+0:15]": 704, | |
| "[S;H0;D3;+0:1]": 705, | |
| "[S;H0;D4;+0:7]": 706, | |
| "[SH;D1;+0:1]": 707, | |
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| "[n;H0;D2;+0:13]": 709, | |
| "[n;H0;D2;+0:16]": 710, | |
| "[n;H0;D2;+0:17]": 711, | |
| "[o;H0;D2;+0:2]": 712, | |
| "[o;H0;D2;+0:7]": 713, | |
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| "[#50:2]": 728, | |
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| "[#8;a:12]": 736, | |
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| "[Br;D1;H0:1]": 740, | |
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| "[Br;D1;H0:6]": 742, | |
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| "[C;D1;H2:11]": 744, | |
| "[C;D1;H2:20]": 745, | |
| "[C;D1;H3:19]": 746, | |
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| "[C;D1;H3:23]": 748, | |
| "[C;D1;H3:29]": 749, | |
| "[C;D1;H3:30]": 750, | |
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| "[C;H0;D3;+0:12]": 752, | |
| "[C;H0;D3;+0:24]": 753, | |
| "[C;H0;D3;+0:26]": 754, | |
| "[C;H0;D4;+0:28]": 755, | |
| "[C@;H0;D4;+0:14]": 756, | |
| "[C@@;H0;D4;+0:1]": 757, | |
| "[C@@;H0;D4;+0:2]": 758, | |
| "[C@@;H0;D4;+0:4]": 759, | |
| "[C@@H;D3;+0:12]": 760, | |
| "[C@H;D3;+0:10]": 761, | |
| "[C@H;D3;+0:11]": 762, | |
| "[C@H;D3;+0:12]": 763, | |
| "[C@H;D3;+0:14]": 764, | |
| "[C@H;D3;+0:17]": 765, | |
| "[C@H]": 766, | |
| "[CH2;D2;+0:20]": 767, | |
| "[CH2;D2;+0:21]": 768, | |
| "[CH2;D2;+0:23]": 769, | |
| "[CH2;D2;+0:24]": 770, | |
| "[CH3;D1;+0:16]": 771, | |
| "[CH3;D1;+0:17]": 772, | |
| "[CH3;D1;+0:31]": 773, | |
| "[CH3;D1;+0:9]": 774, | |
| "[CH;D1;+0:11]": 775, | |
| "[CH;D1;+0:13]": 776, | |
| "[CH;D2;+0:17]": 777, | |
| "[CH;D3;+0:12]": 778, | |
| "[CH;D3;+0:14]": 779, | |
| "[CH;D3;+0:19]": 780, | |
| "[Cl;H0;D1;+0:7]": 781, | |
| "[F;D1;H0:11]": 782, | |
| "[F;D1;H0:12]": 783, | |
| "[Mg]": 784, | |
| "[N+;H0;D2:11]": 785, | |
| "[N+;H0;D2:1]": 786, | |
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| "[N-;H0;D1:12]": 788, | |
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| "[N;H0;D1;+0:3]": 800, | |
| "[N;H0;D2;+0:13]": 801, | |
| "[N;H0;D3;+0:21]": 802, | |
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| "[O;D1;H0:16]": 813, | |
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| "[O;D1;H1:1]": 817, | |
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| "[O;H0;D2;+0:13]": 819, | |
| "[O;H0;D2;+0:14]": 820, | |
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| "[OH;D1;+0:14]": 822, | |
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| "[S;D1;H0:11]": 828, | |
| "[S;H0;D2;+0:1]": 829, | |
| "[S;H0;D4;+0:3]": 830, | |
| "[S;H0;D4;+0:6]": 831, | |
| "[Si;H0;D4;+0:1]": 832, | |
| "[SiH;D3;+0:1]": 833, | |
| "[c:16]": 834, | |
| "[n+;H0;D3:4]": 835, | |
| "[o;H0;D2;+0:4]": 836, | |
| "[o;H0;D2;+0:8]": 837, | |
| "[o;H0;D2;+0:9]": 838, | |
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| "[C;H0;D2;+0:16]": 843, | |
| "[C@;H0;D4;+0:1]": 844, | |
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| "[C@;H0;D4;+0:7]": 847, | |
| "[C@@;H0;D4;+0:3]": 848, | |
| "[C@@;H0;D4;+0:6]": 849, | |
| "[C@@;H0;D4;+0:9]": 850, | |
| "[C@@H;D3;+0:15]": 851, | |
| "[C@@H;D3;+0:18]": 852, | |
| "[C@@H;D3;+0:20]": 853, | |
| "[C@@H;D3;+0:26]": 854, | |
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| "[C@H;D3;+0:13]": 856, | |
| "[C@H;D3;+0:16]": 857, | |
| "[C@H;D3;+0:18]": 858, | |
| "[C@H;D3;+0:20]": 859, | |
| "[C@H;D3;+0:24]": 860, | |
| "[C@H;D3;+0:26]": 861, | |
| "[CH2;D1;+0:12]": 862, | |
| "[CH2;D1;+0:13]": 863, | |
| "[CH2;D1;+0:16]": 864, | |
| "[CH;D1;+0:17]": 865, | |
| "[CH;D2;+0:15]": 866, | |
| "[CH;D3;+0:11]": 867, | |
| "[CH;D3;+0:16]": 868, | |
| "[CH;D3;+0:24]": 869, | |
| "[Cl;H0;D1;+0:5]": 870, | |
| "[Cl;H0;D1;+0:9]": 871, | |
| "[ClH;D0;+0:5]": 872, | |
| "[ClH;D0;+0:6]": 873, | |
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| "[N+;H0;D2:9]": 878, | |
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| "[N;H0;D2;+0:16]": 887, | |
| "[N;H0;D3;+0:15]": 888, | |
| "[N;H0;D3;+0:16]": 889, | |
| "[N;H0;D3;+0:18]": 890, | |
| "[N;H0;D3;+0:23]": 891, | |
| "[N@@+;H0;D4:3]": 892, | |
| "[NH2+;D2:1]": 893, | |
| "[NH2+;D2:8]": 894, | |
| "[NH2;D1;+0:22]": 895, | |
| "[NH2;D1;+0:25]": 896, | |
| "[NH2;D1;+0:27]": 897, | |
| "[NH3+;D1:10]": 898, | |
| "[NH3+;D1:12]": 899, | |
| "[NH3+;D1:4]": 900, | |
| "[NH3+;D1:7]": 901, | |
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| "[NH4+;D0:11]": 904, | |
| "[NH4+;D0:13]": 905, | |
| "[NH4+;D0:3]": 906, | |
| "[NH4+;D0:8]": 907, | |
| "[NH;D1;+0:12]": 908, | |
| "[NH;D1;+0:3]": 909, | |
| "[NH;D1;+0:4]": 910, | |
| "[NH;D1;+0:8]": 911, | |
| "[NH;D2;+0:18]": 912, | |
| "[NH;D2;+0:22]": 913, | |
| "[NH;D2;+0:23]": 914, | |
| "[NH;D2;+0:25]": 915, | |
| "[NH;D2;+0:27]": 916, | |
| "[O;H0;D1;+0:13]": 917, | |
| "[OH2;D0;+0:4]": 918, | |
| "[OH2;D0;+0:7]": 919, | |
| "[OH2;D0;+0:9]": 920, | |
| "[P+;H0;D4:2]": 921, | |
| "[P;H0;D3;+0:1]": 922, | |
| "[P;H0;D3;+0:6]": 923, | |
| "[P;H0;D3;+0:8]": 924, | |
| "[P;H0;D4;+0:6]": 925, | |
| "[P;H0;D4;+0:8]": 926, | |
| "[PH;D2;+0:1]": 927, | |
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| "[S;H0;D1;+0:16]": 929, | |
| "[S;H0;D1;+0:5]": 930, | |
| "[S;H0;D2;+0:12]": 931, | |
| "[S;H0;D3;+0:10]": 932, | |
| "[S;H0;D3;+0:11]": 933, | |
| "[S;H0;D3;+0:8]": 934, | |
| "[S;H0;D4;+0:10]": 935, | |
| "[S;H0;D4;+0:11]": 936, | |
| "[S;H0;D4;+0:8]": 937, | |
| "[S@@;H0;D3;+0:7]": 938, | |
| "[SH;D1;+0:12]": 939, | |
| "[SnH;D3;+0:5]": 940, | |
| "[SnH;D3;+0:6]": 941, | |
| "[c;H0;D3;+0:16]": 942, | |
| "[cH;D2;+0:13]": 943, | |
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| "[s;H0;D2;+0:14]": 949, | |
| "[s;H0;D2;+0:16]": 950, | |
| "s": 951 | |
| }, | |
| "unk_token": "§" | |
| } | |
| } |