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Training in progress, step 18

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  31. run-4/checkpoint-18/tokenizer_config.json +20 -0
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  36. run-4/checkpoint-6/generation_config.json +6 -0
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  43. run-4/checkpoint-6/trainer_state.json +22 -0
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  46. runs/Mar29_23-30-55_b169022313d8/events.out.tfevents.1711755403.b169022313d8.400.4 +2 -2
  47. runs/Mar29_23-30-55_b169022313d8/events.out.tfevents.1711755519.b169022313d8.400.5 +3 -0
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+ [C;!R;BrCC]
22
+ [C;!R;BrCFF]
23
+ [C;!R;BrCN]
24
+ [C;!R;CCCC]
25
+ [C;!R;CCCCl]
26
+ [C;!R;CCCF]
27
+ [C;!R;CCCN]
28
+ [C;!R;CCCO]
29
+ [C;!R;CCCP]
30
+ [C;!R;CCCS]
31
+ [C;!R;CCC]
32
+ [C;!R;CCClCl]
33
+ [C;!R;CCClO]
34
+ [C;!R;CCCl]
35
+ [C;!R;CCFF]
36
+ [C;!R;CCF]
37
+ [C;!R;CCI]
38
+ [C;!R;CCNN]
39
+ [C;!R;CCNO]
40
+ [C;!R;CCN]
41
+ [C;!R;CCOO]
42
+ [C;!R;CCO]
43
+ [C;!R;CCP]
44
+ [C;!R;CCSS]
45
+ [C;!R;CCS]
46
+ [C;!R;CC]
47
+ [C;!R;CClClCl]
48
+ [C;!R;CClClF]
49
+ [C;!R;CClClO]
50
+ [C;!R;CClClS]
51
+ [C;!R;CClCl]
52
+ [C;!R;CClFF]
53
+ [C;!R;CClN]
54
+ [C;!R;CFFF]
55
+ [C;!R;CFFI]
56
+ [C;!R;CFFN]
57
+ [C;!R;CFFO]
58
+ [C;!R;CFFP]
59
+ [C;!R;CFFS]
60
+ [C;!R;CFF]
61
+ [C;!R;CFS]
62
+ [C;!R;CNN]
63
+ [C;!R;CNO]
64
+ [C;!R;CNP]
65
+ [C;!R;CNS]
66
+ [C;!R;CN]
67
+ [C;!R;COO]
68
+ [C;!R;COS]
69
+ [C;!R;COSi]
70
+ [C;!R;CO]
71
+ [C;!R;CSSS]
72
+ [C;!R;CSS]
73
+ [C;!R;ClClClO]
74
+ [C;!R;ClClClS]
75
+ [C;!R;ClClFS]
76
+ [C;!R;ClClNO]
77
+ [C;!R;ClFFO]
78
+ [C;!R;FFFN]
79
+ [C;!R;FFFO]
80
+ [C;!R;FFFS]
81
+ [C;!R;FFNO]
82
+ [C;!R;FFNS]
83
+ [C;!R;NNN]
84
+ [C;!R;NNO]
85
+ [C;!R;NNS]
86
+ [C;!R;NN]
87
+ [C;!R;NOO]
88
+ [C;!R;NOP]
89
+ [C;!R;NOS]
90
+ [C;!R;NSS]
91
+ [C;!R;NS]
92
+ [C;!R;OOO]
93
+ [C;!R;OOS]
94
+ [C;!R;OSS]
95
+ [C;R;BrBrCC]
96
+ [C;R;BrBrCS]
97
+ [C;R;BrCCC]
98
+ [C;R;BrCC]
99
+ [C;R;BrCN]
100
+ [C;R;BrCS]
101
+ [C;R;CCCC]
102
+ [C;R;CCCCl]
103
+ [C;R;CCCF]
104
+ [C;R;CCCN]
105
+ [C;R;CCCO]
106
+ [C;R;CCCS]
107
+ [C;R;CCCSi]
108
+ [C;R;CCC]
109
+ [C;R;CCClCl]
110
+ [C;R;CCClO]
111
+ [C;R;CCCl]
112
+ [C;R;CCFF]
113
+ [C;R;CCF]
114
+ [C;R;CCNN]
115
+ [C;R;CCNO]
116
+ [C;R;CCNP]
117
+ [C;R;CCNS]
118
+ [C;R;CCN]
119
+ [C;R;CCOO]
120
+ [C;R;CCOS]
121
+ [C;R;CCO]
122
+ [C;R;CCSS]
123
+ [C;R;CCS]
124
+ [C;R;CClN]
125
+ [C;R;CClS]
126
+ [C;R;CFFO]
127
+ [C;R;CIN]
128
+ [C;R;CNNO]
129
+ [C;R;CNN]
130
+ [C;R;CNOO]
131
+ [C;R;CNO]
132
+ [C;R;CNS]
133
+ [C;R;COO]
134
+ [C;R;COS]
135
+ [C;R;CSS]
136
+ [C;R;ClClNS]
137
+ [C;R;ClNN]
138
+ [C;R;FFOO]
139
+ [C;R;NNN]
140
+ [C;R;NNO]
141
+ [C;R;NNS]
142
+ [C;R;NOO]
143
+ [C;R;NOS]
144
+ [C;R;NSS]
145
+ [C;R;OOO]
146
+ [C;R;OOS]
147
+ [CH2;!R;BrC]
148
+ [CH2;!R;BrS]
149
+ [CH2;!R;CC]
150
+ [CH2;!R;CCl]
151
+ [CH2;!R;CF]
152
+ [CH2;!R;CI]
153
+ [CH2;!R;CN]
154
+ [CH2;!R;CO]
155
+ [CH2;!R;CP]
156
+ [CH2;!R;CS]
157
+ [CH2;!R;CSi]
158
+ [CH2;!R;C]
159
+ [CH2;!R;FO]
160
+ [CH2;!R;NN]
161
+ [CH2;!R;NO]
162
+ [CH2;!R;NP]
163
+ [CH2;!R;NS]
164
+ [CH2;!R;NSi]
165
+ [CH2;!R;OO]
166
+ [CH2;!R;OP]
167
+ [CH2;!R;OS]
168
+ [CH2;!R;OSi]
169
+ [CH2;!R;PS]
170
+ [CH2;!R;SS]
171
+ [CH2;!R;SSi]
172
+ [CH2;R;CC]
173
+ [CH2;R;CN]
174
+ [CH2;R;CO]
175
+ [CH2;R;CS]
176
+ [CH2;R;CSi]
177
+ [CH2;R;NN]
178
+ [CH2;R;NO]
179
+ [CH2;R;NP]
180
+ [CH2;R;NS]
181
+ [CH2;R;NSi]
182
+ [CH2;R;OO]
183
+ [CH2;R;OP]
184
+ [CH2;R;OS]
185
+ [CH2;R;SS]
186
+ [CH3;!R;C]
187
+ [CH3;!R;N]
188
+ [CH3;!R;O]
189
+ [CH3;!R;P]
190
+ [CH3;!R;S]
191
+ [CH3;!R;Si]
192
+ [CH;!R;BrC]
193
+ [CH;!R;CCC]
194
+ [CH;!R;CCF]
195
+ [CH;!R;CCN]
196
+ [CH;!R;CCO]
197
+ [CH;!R;CCP]
198
+ [CH;!R;CCS]
199
+ [CH;!R;CCSi]
200
+ [CH;!R;CC]
201
+ [CH;!R;CCl]
202
+ [CH;!R;CFF]
203
+ [CH;!R;CF]
204
+ [CH;!R;CI]
205
+ [CH;!R;CNN]
206
+ [CH;!R;CNO]
207
+ [CH;!R;CN]
208
+ [CH;!R;COO]
209
+ [CH;!R;CO]
210
+ [CH;!R;CP]
211
+ [CH;!R;CSS]
212
+ [CH;!R;CS]
213
+ [CH;!R;CSi]
214
+ [CH;!R;C]
215
+ [CH;!R;FFN]
216
+ [CH;!R;FFO]
217
+ [CH;!R;FFS]
218
+ [CH;!R;NNN]
219
+ [CH;!R;NN]
220
+ [CH;!R;NOO]
221
+ [CH;!R;NO]
222
+ [CH;!R;NSiSi]
223
+ [CH;!R;N]
224
+ [CH;!R;OO]
225
+ [CH;!R;PSS]
226
+ [CH;R;CCC]
227
+ [CH;R;CCCl]
228
+ [CH;R;CCF]
229
+ [CH;R;CCN]
230
+ [CH;R;CCO]
231
+ [CH;R;CCP]
232
+ [CH;R;CCS]
233
+ [CH;R;CC]
234
+ [CH;R;CClN]
235
+ [CH;R;CNN]
236
+ [CH;R;CNO]
237
+ [CH;R;CNS]
238
+ [CH;R;CN]
239
+ [CH;R;COO]
240
+ [CH;R;CO]
241
+ [CH;R;CP]
242
+ [CH;R;CSS]
243
+ [CH;R;CS]
244
+ [CH;R;NNN]
245
+ [CH;R;NNO]
246
+ [CH;R;NNS]
247
+ [CH;R;NN]
248
+ [CH;R;NOO]
249
+ [CH;R;NO]
250
+ [CH;R;NS]
251
+ [Cl;!R;C]
252
+ [Cl;!R;N]
253
+ [Cl;!R;S]
254
+ [F;!R;C]
255
+ [F;!R;N]
256
+ [I;!R;C]
257
+ [N;!R;CCC]
258
+ [N;!R;CCN]
259
+ [N;!R;CCO]
260
+ [N;!R;CCP]
261
+ [N;!R;CCS]
262
+ [N;!R;CC]
263
+ [N;!R;CNS]
264
+ [N;!R;CN]
265
+ [N;!R;COS]
266
+ [N;!R;CO]
267
+ [N;!R;CP]
268
+ [N;!R;CSS]
269
+ [N;!R;CS]
270
+ [N;!R;CSiSi]
271
+ [N;!R;C]
272
+ [N;!R;ClClS]
273
+ [N;!R;NNO]
274
+ [N;!R;NO]
275
+ [N;!R;N]
276
+ [N;!R;SS]
277
+ [N;R;BrCC]
278
+ [N;R;CCC]
279
+ [N;R;CCCl]
280
+ [N;R;CCN]
281
+ [N;R;CCO]
282
+ [N;R;CCP]
283
+ [N;R;CCS]
284
+ [N;R;CC]
285
+ [N;R;CNN]
286
+ [N;R;CNO]
287
+ [N;R;CNS]
288
+ [N;R;CN]
289
+ [N;R;COO]
290
+ [N;R;COS]
291
+ [N;R;CO]
292
+ [N;R;CP]
293
+ [N;R;CS]
294
+ [N;R;NNO]
295
+ [N;R;NN]
296
+ [N;R;NO]
297
+ [N;R;PP]
298
+ [NH2;!R;C]
299
+ [NH2;!R;N]
300
+ [NH2;!R;O]
301
+ [NH2;!R;S]
302
+ [NH;!R;CC]
303
+ [NH;!R;CN]
304
+ [NH;!R;CO]
305
+ [NH;!R;CP]
306
+ [NH;!R;CS]
307
+ [NH;!R;C]
308
+ [NH;!R;NP]
309
+ [NH;!R;NS]
310
+ [NH;!R;OS]
311
+ [NH;!R;S]
312
+ [NH;R;CC]
313
+ [NH;R;CN]
314
+ [NH;R;CO]
315
+ [NH;R;CS]
316
+ [NH;R;NN]
317
+ [O;!R;CC]
318
+ [O;!R;CN]
319
+ [O;!R;CP]
320
+ [O;!R;CS]
321
+ [O;!R;C]
322
+ [O;!R;NN]
323
+ [O;!R;N]
324
+ [O;!R;P]
325
+ [O;!R;S]
326
+ [O;R;CC]
327
+ [O;R;CN]
328
+ [O;R;CP]
329
+ [O;R;CS]
330
+ [O;R;NN]
331
+ [OH;!R;C]
332
+ [OH;!R;N]
333
+ [OH;!R;P]
334
+ [P;!R;CCCO]
335
+ [P;!R;CCC]
336
+ [P;!R;CCN]
337
+ [P;!R;CNNN]
338
+ [P;!R;CNNO]
339
+ [P;!R;COOO]
340
+ [P;!R;NNOO]
341
+ [P;!R;NOOO]
342
+ [P;!R;OOOO]
343
+ [P;!R;OOO]
344
+ [P;R;CCCN]
345
+ [P;R;CCNO]
346
+ [P;R;CCOO]
347
+ [P;R;COOOO]
348
+ [P;R;COOO]
349
+ [P;R;NNNN]
350
+ [P;R;NNN]
351
+ [P;R;NOOO]
352
+ [P;R;NOO]
353
+ [P;R;OOOOO]
354
+ [P;R;OOO]
355
+ [PH;!R;CC]
356
+ [S;!R;CCNO]
357
+ [S;!R;CCOO]
358
+ [S;!R;CCO]
359
+ [S;!R;CC]
360
+ [S;!R;CClOO]
361
+ [S;!R;CNOO]
362
+ [S;!R;CN]
363
+ [S;!R;COOO]
364
+ [S;!R;CO]
365
+ [S;!R;C]
366
+ [S;!R;NNOO]
367
+ [S;!R;NN]
368
+ [S;!R;NOOO]
369
+ [S;!R;OOOO]
370
+ [S;R;CCNO]
371
+ [S;R;CCOO]
372
+ [S;R;CCO]
373
+ [S;R;CC]
374
+ [S;R;CNOO]
375
+ [S;R;CN]
376
+ [S;R;COOO]
377
+ [S;R;CS]
378
+ [S;R;NNN]
379
+ [S;R;NNOO]
380
+ [S;R;NN]
381
+ [SH;!R;C]
382
+ [SH;!R;NOO]
383
+ [Si;!R;CCCC]
384
+ [Si;!R;CCCN]
385
+ [Si;R;CCCC]
386
+ [[C@@H];!R;BrCC]
387
+ [[C@@H];!R;CCC]
388
+ [[C@@H];!R;CCF]
389
+ [[C@@H];!R;CCN]
390
+ [[C@@H];!R;CCO]
391
+ [[C@@H];!R;CCP]
392
+ [[C@@H];!R;CCS]
393
+ [[C@@H];!R;CClS]
394
+ [[C@@H];!R;CFN]
395
+ [[C@@H];!R;CFO]
396
+ [[C@@H];!R;CFS]
397
+ [[C@@H];!R;CNN]
398
+ [[C@@H];!R;CNO]
399
+ [[C@@H];!R;CNP]
400
+ [[C@@H];!R;CNS]
401
+ [[C@@H];!R;COO]
402
+ [[C@@H];!R;COP]
403
+ [[C@@H];!R;COS]
404
+ [[C@@H];!R;FNO]
405
+ [[C@@H];!R;NOO]
406
+ [[C@@H];R;CCC]
407
+ [[C@@H];R;CCF]
408
+ [[C@@H];R;CCN]
409
+ [[C@@H];R;CCO]
410
+ [[C@@H];R;CCS]
411
+ [[C@@H];R;CNN]
412
+ [[C@@H];R;CNO]
413
+ [[C@@H];R;CNS]
414
+ [[C@@H];R;COO]
415
+ [[C@@H];R;COS]
416
+ [[C@@H];R;CSS]
417
+ [[C@@H];R;NNN]
418
+ [[C@@H];R;NNS]
419
+ [[C@@H];R;NOO]
420
+ [[C@@];!R;BrCCCl]
421
+ [[C@@];!R;BrCCI]
422
+ [[C@@];!R;BrCCS]
423
+ [[C@@];!R;BrCClS]
424
+ [[C@@];!R;CCCC]
425
+ [[C@@];!R;CCCF]
426
+ [[C@@];!R;CCCN]
427
+ [[C@@];!R;CCCO]
428
+ [[C@@];!R;CCCS]
429
+ [[C@@];!R;CCClF]
430
+ [[C@@];!R;CCClS]
431
+ [[C@@];!R;CCFN]
432
+ [[C@@];!R;CCNN]
433
+ [[C@@];!R;CCNO]
434
+ [[C@@];!R;CCNP]
435
+ [[C@@];!R;CCOO]
436
+ [[C@@];!R;CCOP]
437
+ [[C@@];!R;CClFI]
438
+ [[C@@];!R;CClFO]
439
+ [[C@@];!R;CClIS]
440
+ [[C@@];R;BrCCC]
441
+ [[C@@];R;BrCCN]
442
+ [[C@@];R;BrCCO]
443
+ [[C@@];R;CCCC]
444
+ [[C@@];R;CCCCl]
445
+ [[C@@];R;CCCF]
446
+ [[C@@];R;CCCN]
447
+ [[C@@];R;CCCO]
448
+ [[C@@];R;CCCS]
449
+ [[C@@];R;CCClF]
450
+ [[C@@];R;CCClN]
451
+ [[C@@];R;CCFN]
452
+ [[C@@];R;CCNN]
453
+ [[C@@];R;CCNO]
454
+ [[C@@];R;CCNS]
455
+ [[C@@];R;CCOO]
456
+ [[C@@];R;CCOP]
457
+ [[C@@];R;CCOS]
458
+ [[C@@];R;CCSSi]
459
+ [[C@@];R;CFOO]
460
+ [[C@@];R;CNNO]
461
+ [[C@@];R;CNOO]
462
+ [[C@@];R;NNSS]
463
+ [[C@H];!R;BrCC]
464
+ [[C@H];!R;CCC]
465
+ [[C@H];!R;CCF]
466
+ [[C@H];!R;CCN]
467
+ [[C@H];!R;CCO]
468
+ [[C@H];!R;CCP]
469
+ [[C@H];!R;CCS]
470
+ [[C@H];!R;CClS]
471
+ [[C@H];!R;CFN]
472
+ [[C@H];!R;CNN]
473
+ [[C@H];!R;CNO]
474
+ [[C@H];!R;CNP]
475
+ [[C@H];!R;CNS]
476
+ [[C@H];!R;COO]
477
+ [[C@H];!R;COP]
478
+ [[C@H];!R;COS]
479
+ [[C@H];!R;FNO]
480
+ [[C@H];R;BrCC]
481
+ [[C@H];R;CCC]
482
+ [[C@H];R;CCF]
483
+ [[C@H];R;CCN]
484
+ [[C@H];R;CCO]
485
+ [[C@H];R;CCP]
486
+ [[C@H];R;CCS]
487
+ [[C@H];R;CNN]
488
+ [[C@H];R;CNO]
489
+ [[C@H];R;CNS]
490
+ [[C@H];R;COO]
491
+ [[C@H];R;COS]
492
+ [[C@H];R;NNO]
493
+ [[C@H];R;NNS]
494
+ [[C@H];R;NOO]
495
+ [[C@H];R;OOO]
496
+ [[C@];!R;BrCCF]
497
+ [[C@];!R;BrCCS]
498
+ [[C@];!R;BrCClS]
499
+ [[C@];!R;BrCIS]
500
+ [[C@];!R;CCCC]
501
+ [[C@];!R;CCCCl]
502
+ [[C@];!R;CCCF]
503
+ [[C@];!R;CCCN]
504
+ [[C@];!R;CCCO]
505
+ [[C@];!R;CCCS]
506
+ [[C@];!R;CCClF]
507
+ [[C@];!R;CCClO]
508
+ [[C@];!R;CCClS]
509
+ [[C@];!R;CCFN]
510
+ [[C@];!R;CCFO]
511
+ [[C@];!R;CCNN]
512
+ [[C@];!R;CCNO]
513
+ [[C@];!R;CClFO]
514
+ [[C@];!R;CClIS]
515
+ [[C@];R;BrCCC]
516
+ [[C@];R;BrCCCl]
517
+ [[C@];R;CCCC]
518
+ [[C@];R;CCCCl]
519
+ [[C@];R;CCCF]
520
+ [[C@];R;CCCI]
521
+ [[C@];R;CCCN]
522
+ [[C@];R;CCCO]
523
+ [[C@];R;CCCS]
524
+ [[C@];R;CCClF]
525
+ [[C@];R;CCFN]
526
+ [[C@];R;CCNN]
527
+ [[C@];R;CCNO]
528
+ [[C@];R;CCNS]
529
+ [[C@];R;CCOO]
530
+ [[C@];R;CCOP]
531
+ [[C@];R;CCOSi]
532
+ [[C@];R;CNNO]
533
+ [[C@];R;CNNS]
534
+ [[C@];R;CNOO]
535
+ [[C@];R;NNNS]
536
+ [[C@];R;NNSS]
537
+ [[N+];!R;CCC]
538
+ [[N+];!R;CC]
539
+ [[N+];!R;CN]
540
+ [[N+];!R;COO]
541
+ [[N+];!R;NN]
542
+ [[N+];!R;NOO]
543
+ [[N+];!R;OOO]
544
+ [[N+];R;CCC]
545
+ [[N+];R;CCN]
546
+ [[N+];R;CCO]
547
+ [[N+];R;NNO]
548
+ [[N+];R;NOO]
549
+ [[N-];!R;CC]
550
+ [[N-];!R;CN]
551
+ [[N-];!R;CO]
552
+ [[N-];!R;CS]
553
+ [[N-];!R;NS]
554
+ [[N-];!R;N]
555
+ [[N-];R;CC]
556
+ [[N-];R;CN]
557
+ [[N-];R;CO]
558
+ [[N-];R;CS]
559
+ [[NH+];!R;CCC]
560
+ [[NH+];!R;CC]
561
+ [[NH+];!R;CN]
562
+ [[NH+];!R;CO]
563
+ [[NH+];!R;CP]
564
+ [[NH+];R;CCC]
565
+ [[NH+];R;CC]
566
+ [[NH+];R;CN]
567
+ [[NH+];R;CO]
568
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569
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+ [CH;!R;CCO]
197
+ [CH;!R;CCP]
198
+ [CH;!R;CCS]
199
+ [CH;!R;CCSi]
200
+ [CH;!R;CC]
201
+ [CH;!R;CCl]
202
+ [CH;!R;CFF]
203
+ [CH;!R;CF]
204
+ [CH;!R;CI]
205
+ [CH;!R;CNN]
206
+ [CH;!R;CNO]
207
+ [CH;!R;CN]
208
+ [CH;!R;COO]
209
+ [CH;!R;CO]
210
+ [CH;!R;CP]
211
+ [CH;!R;CSS]
212
+ [CH;!R;CS]
213
+ [CH;!R;CSi]
214
+ [CH;!R;C]
215
+ [CH;!R;FFN]
216
+ [CH;!R;FFO]
217
+ [CH;!R;FFS]
218
+ [CH;!R;NNN]
219
+ [CH;!R;NN]
220
+ [CH;!R;NOO]
221
+ [CH;!R;NO]
222
+ [CH;!R;NSiSi]
223
+ [CH;!R;N]
224
+ [CH;!R;OO]
225
+ [CH;!R;PSS]
226
+ [CH;R;CCC]
227
+ [CH;R;CCCl]
228
+ [CH;R;CCF]
229
+ [CH;R;CCN]
230
+ [CH;R;CCO]
231
+ [CH;R;CCP]
232
+ [CH;R;CCS]
233
+ [CH;R;CC]
234
+ [CH;R;CClN]
235
+ [CH;R;CNN]
236
+ [CH;R;CNO]
237
+ [CH;R;CNS]
238
+ [CH;R;CN]
239
+ [CH;R;COO]
240
+ [CH;R;CO]
241
+ [CH;R;CP]
242
+ [CH;R;CSS]
243
+ [CH;R;CS]
244
+ [CH;R;NNN]
245
+ [CH;R;NNO]
246
+ [CH;R;NNS]
247
+ [CH;R;NN]
248
+ [CH;R;NOO]
249
+ [CH;R;NO]
250
+ [CH;R;NS]
251
+ [Cl;!R;C]
252
+ [Cl;!R;N]
253
+ [Cl;!R;S]
254
+ [F;!R;C]
255
+ [F;!R;N]
256
+ [I;!R;C]
257
+ [N;!R;CCC]
258
+ [N;!R;CCN]
259
+ [N;!R;CCO]
260
+ [N;!R;CCP]
261
+ [N;!R;CCS]
262
+ [N;!R;CC]
263
+ [N;!R;CNS]
264
+ [N;!R;CN]
265
+ [N;!R;COS]
266
+ [N;!R;CO]
267
+ [N;!R;CP]
268
+ [N;!R;CSS]
269
+ [N;!R;CS]
270
+ [N;!R;CSiSi]
271
+ [N;!R;C]
272
+ [N;!R;ClClS]
273
+ [N;!R;NNO]
274
+ [N;!R;NO]
275
+ [N;!R;N]
276
+ [N;!R;SS]
277
+ [N;R;BrCC]
278
+ [N;R;CCC]
279
+ [N;R;CCCl]
280
+ [N;R;CCN]
281
+ [N;R;CCO]
282
+ [N;R;CCP]
283
+ [N;R;CCS]
284
+ [N;R;CC]
285
+ [N;R;CNN]
286
+ [N;R;CNO]
287
+ [N;R;CNS]
288
+ [N;R;CN]
289
+ [N;R;COO]
290
+ [N;R;COS]
291
+ [N;R;CO]
292
+ [N;R;CP]
293
+ [N;R;CS]
294
+ [N;R;NNO]
295
+ [N;R;NN]
296
+ [N;R;NO]
297
+ [N;R;PP]
298
+ [NH2;!R;C]
299
+ [NH2;!R;N]
300
+ [NH2;!R;O]
301
+ [NH2;!R;S]
302
+ [NH;!R;CC]
303
+ [NH;!R;CN]
304
+ [NH;!R;CO]
305
+ [NH;!R;CP]
306
+ [NH;!R;CS]
307
+ [NH;!R;C]
308
+ [NH;!R;NP]
309
+ [NH;!R;NS]
310
+ [NH;!R;OS]
311
+ [NH;!R;S]
312
+ [NH;R;CC]
313
+ [NH;R;CN]
314
+ [NH;R;CO]
315
+ [NH;R;CS]
316
+ [NH;R;NN]
317
+ [O;!R;CC]
318
+ [O;!R;CN]
319
+ [O;!R;CP]
320
+ [O;!R;CS]
321
+ [O;!R;C]
322
+ [O;!R;NN]
323
+ [O;!R;N]
324
+ [O;!R;P]
325
+ [O;!R;S]
326
+ [O;R;CC]
327
+ [O;R;CN]
328
+ [O;R;CP]
329
+ [O;R;CS]
330
+ [O;R;NN]
331
+ [OH;!R;C]
332
+ [OH;!R;N]
333
+ [OH;!R;P]
334
+ [P;!R;CCCO]
335
+ [P;!R;CCC]
336
+ [P;!R;CCN]
337
+ [P;!R;CNNN]
338
+ [P;!R;CNNO]
339
+ [P;!R;COOO]
340
+ [P;!R;NNOO]
341
+ [P;!R;NOOO]
342
+ [P;!R;OOOO]
343
+ [P;!R;OOO]
344
+ [P;R;CCCN]
345
+ [P;R;CCNO]
346
+ [P;R;CCOO]
347
+ [P;R;COOOO]
348
+ [P;R;COOO]
349
+ [P;R;NNNN]
350
+ [P;R;NNN]
351
+ [P;R;NOOO]
352
+ [P;R;NOO]
353
+ [P;R;OOOOO]
354
+ [P;R;OOO]
355
+ [PH;!R;CC]
356
+ [S;!R;CCNO]
357
+ [S;!R;CCOO]
358
+ [S;!R;CCO]
359
+ [S;!R;CC]
360
+ [S;!R;CClOO]
361
+ [S;!R;CNOO]
362
+ [S;!R;CN]
363
+ [S;!R;COOO]
364
+ [S;!R;CO]
365
+ [S;!R;C]
366
+ [S;!R;NNOO]
367
+ [S;!R;NN]
368
+ [S;!R;NOOO]
369
+ [S;!R;OOOO]
370
+ [S;R;CCNO]
371
+ [S;R;CCOO]
372
+ [S;R;CCO]
373
+ [S;R;CC]
374
+ [S;R;CNOO]
375
+ [S;R;CN]
376
+ [S;R;COOO]
377
+ [S;R;CS]
378
+ [S;R;NNN]
379
+ [S;R;NNOO]
380
+ [S;R;NN]
381
+ [SH;!R;C]
382
+ [SH;!R;NOO]
383
+ [Si;!R;CCCC]
384
+ [Si;!R;CCCN]
385
+ [Si;R;CCCC]
386
+ [[C@@H];!R;BrCC]
387
+ [[C@@H];!R;CCC]
388
+ [[C@@H];!R;CCF]
389
+ [[C@@H];!R;CCN]
390
+ [[C@@H];!R;CCO]
391
+ [[C@@H];!R;CCP]
392
+ [[C@@H];!R;CCS]
393
+ [[C@@H];!R;CClS]
394
+ [[C@@H];!R;CFN]
395
+ [[C@@H];!R;CFO]
396
+ [[C@@H];!R;CFS]
397
+ [[C@@H];!R;CNN]
398
+ [[C@@H];!R;CNO]
399
+ [[C@@H];!R;CNP]
400
+ [[C@@H];!R;CNS]
401
+ [[C@@H];!R;COO]
402
+ [[C@@H];!R;COP]
403
+ [[C@@H];!R;COS]
404
+ [[C@@H];!R;FNO]
405
+ [[C@@H];!R;NOO]
406
+ [[C@@H];R;CCC]
407
+ [[C@@H];R;CCF]
408
+ [[C@@H];R;CCN]
409
+ [[C@@H];R;CCO]
410
+ [[C@@H];R;CCS]
411
+ [[C@@H];R;CNN]
412
+ [[C@@H];R;CNO]
413
+ [[C@@H];R;CNS]
414
+ [[C@@H];R;COO]
415
+ [[C@@H];R;COS]
416
+ [[C@@H];R;CSS]
417
+ [[C@@H];R;NNN]
418
+ [[C@@H];R;NNS]
419
+ [[C@@H];R;NOO]
420
+ [[C@@];!R;BrCCCl]
421
+ [[C@@];!R;BrCCI]
422
+ [[C@@];!R;BrCCS]
423
+ [[C@@];!R;BrCClS]
424
+ [[C@@];!R;CCCC]
425
+ [[C@@];!R;CCCF]
426
+ [[C@@];!R;CCCN]
427
+ [[C@@];!R;CCCO]
428
+ [[C@@];!R;CCCS]
429
+ [[C@@];!R;CCClF]
430
+ [[C@@];!R;CCClS]
431
+ [[C@@];!R;CCFN]
432
+ [[C@@];!R;CCNN]
433
+ [[C@@];!R;CCNO]
434
+ [[C@@];!R;CCNP]
435
+ [[C@@];!R;CCOO]
436
+ [[C@@];!R;CCOP]
437
+ [[C@@];!R;CClFI]
438
+ [[C@@];!R;CClFO]
439
+ [[C@@];!R;CClIS]
440
+ [[C@@];R;BrCCC]
441
+ [[C@@];R;BrCCN]
442
+ [[C@@];R;BrCCO]
443
+ [[C@@];R;CCCC]
444
+ [[C@@];R;CCCCl]
445
+ [[C@@];R;CCCF]
446
+ [[C@@];R;CCCN]
447
+ [[C@@];R;CCCO]
448
+ [[C@@];R;CCCS]
449
+ [[C@@];R;CCClF]
450
+ [[C@@];R;CCClN]
451
+ [[C@@];R;CCFN]
452
+ [[C@@];R;CCNN]
453
+ [[C@@];R;CCNO]
454
+ [[C@@];R;CCNS]
455
+ [[C@@];R;CCOO]
456
+ [[C@@];R;CCOP]
457
+ [[C@@];R;CCOS]
458
+ [[C@@];R;CCSSi]
459
+ [[C@@];R;CFOO]
460
+ [[C@@];R;CNNO]
461
+ [[C@@];R;CNOO]
462
+ [[C@@];R;NNSS]
463
+ [[C@H];!R;BrCC]
464
+ [[C@H];!R;CCC]
465
+ [[C@H];!R;CCF]
466
+ [[C@H];!R;CCN]
467
+ [[C@H];!R;CCO]
468
+ [[C@H];!R;CCP]
469
+ [[C@H];!R;CCS]
470
+ [[C@H];!R;CClS]
471
+ [[C@H];!R;CFN]
472
+ [[C@H];!R;CNN]
473
+ [[C@H];!R;CNO]
474
+ [[C@H];!R;CNP]
475
+ [[C@H];!R;CNS]
476
+ [[C@H];!R;COO]
477
+ [[C@H];!R;COP]
478
+ [[C@H];!R;COS]
479
+ [[C@H];!R;FNO]
480
+ [[C@H];R;BrCC]
481
+ [[C@H];R;CCC]
482
+ [[C@H];R;CCF]
483
+ [[C@H];R;CCN]
484
+ [[C@H];R;CCO]
485
+ [[C@H];R;CCP]
486
+ [[C@H];R;CCS]
487
+ [[C@H];R;CNN]
488
+ [[C@H];R;CNO]
489
+ [[C@H];R;CNS]
490
+ [[C@H];R;COO]
491
+ [[C@H];R;COS]
492
+ [[C@H];R;NNO]
493
+ [[C@H];R;NNS]
494
+ [[C@H];R;NOO]
495
+ [[C@H];R;OOO]
496
+ [[C@];!R;BrCCF]
497
+ [[C@];!R;BrCCS]
498
+ [[C@];!R;BrCClS]
499
+ [[C@];!R;BrCIS]
500
+ [[C@];!R;CCCC]
501
+ [[C@];!R;CCCCl]
502
+ [[C@];!R;CCCF]
503
+ [[C@];!R;CCCN]
504
+ [[C@];!R;CCCO]
505
+ [[C@];!R;CCCS]
506
+ [[C@];!R;CCClF]
507
+ [[C@];!R;CCClO]
508
+ [[C@];!R;CCClS]
509
+ [[C@];!R;CCFN]
510
+ [[C@];!R;CCFO]
511
+ [[C@];!R;CCNN]
512
+ [[C@];!R;CCNO]
513
+ [[C@];!R;CClFO]
514
+ [[C@];!R;CClIS]
515
+ [[C@];R;BrCCC]
516
+ [[C@];R;BrCCCl]
517
+ [[C@];R;CCCC]
518
+ [[C@];R;CCCCl]
519
+ [[C@];R;CCCF]
520
+ [[C@];R;CCCI]
521
+ [[C@];R;CCCN]
522
+ [[C@];R;CCCO]
523
+ [[C@];R;CCCS]
524
+ [[C@];R;CCClF]
525
+ [[C@];R;CCFN]
526
+ [[C@];R;CCNN]
527
+ [[C@];R;CCNO]
528
+ [[C@];R;CCNS]
529
+ [[C@];R;CCOO]
530
+ [[C@];R;CCOP]
531
+ [[C@];R;CCOSi]
532
+ [[C@];R;CNNO]
533
+ [[C@];R;CNNS]
534
+ [[C@];R;CNOO]
535
+ [[C@];R;NNNS]
536
+ [[C@];R;NNSS]
537
+ [[N+];!R;CCC]
538
+ [[N+];!R;CC]
539
+ [[N+];!R;CN]
540
+ [[N+];!R;COO]
541
+ [[N+];!R;NN]
542
+ [[N+];!R;NOO]
543
+ [[N+];!R;OOO]
544
+ [[N+];R;CCC]
545
+ [[N+];R;CCN]
546
+ [[N+];R;CCO]
547
+ [[N+];R;NNO]
548
+ [[N+];R;NOO]
549
+ [[N-];!R;CC]
550
+ [[N-];!R;CN]
551
+ [[N-];!R;CO]
552
+ [[N-];!R;CS]
553
+ [[N-];!R;NS]
554
+ [[N-];!R;N]
555
+ [[N-];R;CC]
556
+ [[N-];R;CN]
557
+ [[N-];R;CO]
558
+ [[N-];R;CS]
559
+ [[NH+];!R;CCC]
560
+ [[NH+];!R;CC]
561
+ [[NH+];!R;CN]
562
+ [[NH+];!R;CO]
563
+ [[NH+];!R;CP]
564
+ [[NH+];R;CCC]
565
+ [[NH+];R;CC]
566
+ [[NH+];R;CN]
567
+ [[NH+];R;CO]
568
+ [[NH2+];!R;CC]
569
+ [[NH2+];!R;CN]
570
+ [[NH2+];!R;C]
571
+ [[NH2+];R;CC]
572
+ [[NH2+];R;CN]
573
+ [[NH3+];!R;C]
574
+ [[NH3+];!R;N]
575
+ [[O+];R;CN]
576
+ [[O-];!R;C]
577
+ [[O-];!R;N]
578
+ [[O-];!R;P]
579
+ [[O-];!R;S]
580
+ [[P@@];!R;CCCO]
581
+ [[P@@];!R;CCNN]
582
+ [[P@@];!R;CCNO]
583
+ [[P@@];!R;CCOO]
584
+ [[P@@];!R;CNOO]
585
+ [[P@@];!R;COOO]
586
+ [[P@@];R;CCCO]
587
+ [[P@@];R;CCOO]
588
+ [[P@@];R;NOOO]
589
+ [[P@@];R;OOOO]
590
+ [[P@H];!R;OOO]
591
+ [[P@];!R;CCNN]
592
+ [[P@];!R;CCNO]
593
+ [[P@];!R;CCOO]
594
+ [[P@];!R;CNOO]
595
+ [[P@];!R;COOO]
596
+ [[P@];!R;NNOO]
597
+ [[P@];!R;NOOO]
598
+ [[P@];R;CCCO]
599
+ [[P@];R;CNNO]
600
+ [[PH+];!R;CCC]
601
+ [[PH+];!R;CCN]
602
+ [[S+];!R;CCC]
603
+ [[S-];!R;C]
604
+ [[S@@];!R;CCNO]
605
+ [[S@@];!R;CCN]
606
+ [[S@@];!R;CCO]
607
+ [[S@@];!R;CNNO]
608
+ [[S@@];!R;CNOO]
609
+ [[S@@];!R;CNO]
610
+ [[S@@];!R;COO]
611
+ [[S@@];R;CCNO]
612
+ [[S@@];R;CCO]
613
+ [[S@];!R;CCNO]
614
+ [[S@];!R;CCN]
615
+ [[S@];!R;CCO]
616
+ [[S@];!R;CNNO]
617
+ [[S@];!R;CNOO]
618
+ [[S@];!R;CNO]
619
+ [[S@];!R;NOO]
620
+ [[S@];R;CCNO]
621
+ [[S@];R;CCO]
622
+ [[[N@@H]+];!R;CCC]
623
+ [[[N@@H]+];R;CCC]
624
+ [[[N@@H]+];R;CCN]
625
+ [[[N@H]+];!R;CCC]
626
+ [[[N@H]+];R;CCC]
627
+ [[n+];R;CCC]
628
+ [[n+];R;CCN]
629
+ [[n+];R;CCO]
630
+ [[n+];R;CCS]
631
+ [[n+];R;CNN]
632
+ [[n+];R;CNO]
633
+ [[n+];R;COO]
634
+ [[n+];R;NNN]
635
+ [[n-];R;CC]
636
+ [[n-];R;CN]
637
+ [[n-];R;CO]
638
+ [[n-];R;CS]
639
+ [[n-];R;NN]
640
+ [[n-];R;NO]
641
+ [[n-];R;NS]
642
+ [[nH+];R;CC]
643
+ [[nH+];R;CN]
644
+ [[o+];R;CC]
645
+ [[o+];R;CN]
646
+ [[s+];R;CC]
647
+ [[s+];R;CN]
648
+ [c;R;BrCC]
649
+ [c;R;BrCN]
650
+ [c;R;BrCO]
651
+ [c;R;BrCS]
652
+ [c;R;BrNN]
653
+ [c;R;BrNO]
654
+ [c;R;BrNS]
655
+ [c;R;CCC]
656
+ [c;R;CCCl]
657
+ [c;R;CCF]
658
+ [c;R;CCI]
659
+ [c;R;CCN]
660
+ [c;R;CCO]
661
+ [c;R;CCP]
662
+ [c;R;CCS]
663
+ [c;R;CCSi]
664
+ [c;R;CClN]
665
+ [c;R;CClO]
666
+ [c;R;CClS]
667
+ [c;R;CFN]
668
+ [c;R;CFO]
669
+ [c;R;CFS]
670
+ [c;R;CIN]
671
+ [c;R;CIO]
672
+ [c;R;CIS]
673
+ [c;R;CNN]
674
+ [c;R;CNO]
675
+ [c;R;CNP]
676
+ [c;R;CNS]
677
+ [c;R;CNSi]
678
+ [c;R;COO]
679
+ [c;R;COP]
680
+ [c;R;COS]
681
+ [c;R;CSS]
682
+ [c;R;ClNN]
683
+ [c;R;ClNO]
684
+ [c;R;ClNS]
685
+ [c;R;FNN]
686
+ [c;R;INN]
687
+ [c;R;INO]
688
+ [c;R;INS]
689
+ [c;R;NNN]
690
+ [c;R;NNO]
691
+ [c;R;NNP]
692
+ [c;R;NNS]
693
+ [c;R;NOO]
694
+ [c;R;NOS]
695
+ [c;R;NSS]
696
+ [c;R;OOO]
697
+ [c;R;OOS]
698
+ [c;R;OSS]
699
+ [c;R;SSS]
700
+ [cH;R;CC]
701
+ [cH;R;CN]
702
+ [cH;R;CO]
703
+ [cH;R;CS]
704
+ [cH;R;NN]
705
+ [cH;R;NO]
706
+ [cH;R;NS]
707
+ [n;R;BrCN]
708
+ [n;R;CCC]
709
+ [n;R;CCF]
710
+ [n;R;CCN]
711
+ [n;R;CCO]
712
+ [n;R;CCP]
713
+ [n;R;CCS]
714
+ [n;R;CCSi]
715
+ [n;R;CC]
716
+ [n;R;CNN]
717
+ [n;R;CNO]
718
+ [n;R;CNS]
719
+ [n;R;CN]
720
+ [n;R;CO]
721
+ [n;R;CS]
722
+ [n;R;NN]
723
+ [n;R;NO]
724
+ [n;R;NS]
725
+ [nH;R;CC]
726
+ [nH;R;CN]
727
+ [nH;R;CO]
728
+ [nH;R;CS]
729
+ [nH;R;NN]
730
+ [o;R;CC]
731
+ [o;R;CN]
732
+ [o;R;NN]
733
+ [p;R;CC]
734
+ [s;R;CC]
735
+ [s;R;CN]
736
+ [s;R;CS]
737
+ [s;R;NN]
738
+ \
runs/Mar29_23-30-55_b169022313d8/events.out.tfevents.1711755403.b169022313d8.400.4 CHANGED
@@ -1,3 +1,3 @@
1
  version https://git-lfs.github.com/spec/v1
2
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