Commit
•
776a636
1
Parent(s):
580a7e2
Training in progress, step 31601
Browse files- config.json +3 -3
- model.safetensors +2 -2
- runs/Apr01_21-07-44_a3d9d0e366dc/events.out.tfevents.1712005665.a3d9d0e366dc.1941.0 +3 -0
- runs/Apr01_21-19-14_a3d9d0e366dc/events.out.tfevents.1712006392.a3d9d0e366dc.1941.1 +3 -0
- runs/Apr01_21-22-14_a3d9d0e366dc/events.out.tfevents.1712006537.a3d9d0e366dc.1941.2 +3 -0
- runs/Apr01_21-23-41_a3d9d0e366dc/events.out.tfevents.1712006622.a3d9d0e366dc.1941.3 +3 -0
- runs/Apr01_21-25-19_a3d9d0e366dc/events.out.tfevents.1712006720.a3d9d0e366dc.1941.4 +3 -0
- runs/Apr01_21-29-02_a3d9d0e366dc/events.out.tfevents.1712006942.a3d9d0e366dc.1941.5 +3 -0
- runs/Apr01_21-35-03_a3d9d0e366dc/events.out.tfevents.1712007304.a3d9d0e366dc.3036.0 +3 -0
- runs/Apr01_21-35-49_a3d9d0e366dc/events.out.tfevents.1712007349.a3d9d0e366dc.3036.1 +3 -0
- runs/Apr01_21-39-08_a3d9d0e366dc/events.out.tfevents.1712007549.a3d9d0e366dc.117.0 +3 -0
- runs/Apr01_21-42-04_a3d9d0e366dc/events.out.tfevents.1712007725.a3d9d0e366dc.117.1 +3 -0
- runs/Apr01_21-43-52_a3d9d0e366dc/events.out.tfevents.1712007833.a3d9d0e366dc.117.2 +3 -0
- runs/Apr01_21-45-17_a3d9d0e366dc/events.out.tfevents.1712007918.a3d9d0e366dc.117.3 +3 -0
- runs/Apr01_22-03-10_a3d9d0e366dc/events.out.tfevents.1712008991.a3d9d0e366dc.117.4 +3 -0
- runs/Apr01_22-03-58_a3d9d0e366dc/events.out.tfevents.1712009038.a3d9d0e366dc.117.5 +3 -0
- runs/Apr01_23-15-13_a3d9d0e366dc/events.out.tfevents.1712013314.a3d9d0e366dc.117.6 +3 -0
- runs/Apr01_23-15-51_a3d9d0e366dc/events.out.tfevents.1712013352.a3d9d0e366dc.117.7 +3 -0
- runs/Apr01_23-16-55_a3d9d0e366dc/events.out.tfevents.1712013416.a3d9d0e366dc.117.8 +3 -0
- runs/Apr01_23-45-43_a3d9d0e366dc/events.out.tfevents.1712015144.a3d9d0e366dc.3101.0 +3 -0
- runs/Apr01_23-57-30_a3d9d0e366dc/events.out.tfevents.1712015851.a3d9d0e366dc.3101.1 +3 -0
- tokenizer_config.json +1 -1
- training_args.bin +2 -2
- vocab_file.txt +487 -46
config.json
CHANGED
@@ -19,8 +19,8 @@
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"rope_theta": 10000.0,
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"sliding_window": 75,
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"tie_word_embeddings": false,
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-
"torch_dtype": "
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"transformers_version": "4.
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"use_cache": true,
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"vocab_size":
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}
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"rope_theta": 10000.0,
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"sliding_window": 75,
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"tie_word_embeddings": false,
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+
"torch_dtype": "bfloat16",
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"transformers_version": "4.39.2",
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"use_cache": true,
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"vocab_size": 1179
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}
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model.safetensors
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runs/Apr01_21-25-19_a3d9d0e366dc/events.out.tfevents.1712006720.a3d9d0e366dc.1941.4
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runs/Apr01_21-29-02_a3d9d0e366dc/events.out.tfevents.1712006942.a3d9d0e366dc.1941.5
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runs/Apr01_21-35-03_a3d9d0e366dc/events.out.tfevents.1712007304.a3d9d0e366dc.3036.0
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runs/Apr01_21-39-08_a3d9d0e366dc/events.out.tfevents.1712007549.a3d9d0e366dc.117.0
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runs/Apr01_21-42-04_a3d9d0e366dc/events.out.tfevents.1712007725.a3d9d0e366dc.117.1
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runs/Apr01_21-43-52_a3d9d0e366dc/events.out.tfevents.1712007833.a3d9d0e366dc.117.2
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runs/Apr01_21-45-17_a3d9d0e366dc/events.out.tfevents.1712007918.a3d9d0e366dc.117.3
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runs/Apr01_22-03-10_a3d9d0e366dc/events.out.tfevents.1712008991.a3d9d0e366dc.117.4
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runs/Apr01_22-03-58_a3d9d0e366dc/events.out.tfevents.1712009038.a3d9d0e366dc.117.5
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runs/Apr01_23-15-13_a3d9d0e366dc/events.out.tfevents.1712013314.a3d9d0e366dc.117.6
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ADDED
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runs/Apr01_23-16-55_a3d9d0e366dc/events.out.tfevents.1712013416.a3d9d0e366dc.117.8
ADDED
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runs/Apr01_23-45-43_a3d9d0e366dc/events.out.tfevents.1712015144.a3d9d0e366dc.3101.0
ADDED
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runs/Apr01_23-57-30_a3d9d0e366dc/events.out.tfevents.1712015851.a3d9d0e366dc.3101.1
ADDED
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tokenizer_config.json
CHANGED
@@ -13,7 +13,7 @@
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"bos_token": "<|endoftext|>",
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"clean_up_tokenization_spaces": true,
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"eos_token": "<|endoftext|>",
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-
"model_max_length":
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"pad_token": "<|endoftext|>",
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"tokenizer_class": "AISTokenizer",
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"unk_token": "<|endoftext|>"
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"bos_token": "<|endoftext|>",
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"clean_up_tokenization_spaces": true,
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"eos_token": "<|endoftext|>",
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"model_max_length": 75,
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"pad_token": "<|endoftext|>",
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"tokenizer_class": "AISTokenizer",
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"unk_token": "<|endoftext|>"
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training_args.bin
CHANGED
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vocab_file.txt
CHANGED
@@ -11,16 +11,38 @@
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5
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=
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[Br;!R;C]
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[Br;!R;N]
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[C;!R;BrBrBrC]
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[C;!R;BrBrCF]
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[C;!R;BrBrCS]
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[C;!R;BrCCC]
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[C;!R;BrCC]
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[C;!R;BrCFF]
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[C;!R;BrCN]
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[C;!R;CCCC]
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[C;!R;CCCCl]
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[C;!R;CCCF]
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@@ -28,122 +50,191 @@
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[C;!R;CCCO]
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[C;!R;CCCP]
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[C;!R;CCCS]
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[C;!R;CCC]
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[C;!R;CCClCl]
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[C;!R;CCClO]
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[C;!R;CCCl]
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[C;!R;CCFF]
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[C;!R;CCF]
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[C;!R;CCI]
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[C;!R;CCNN]
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[C;!R;CCNO]
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[C;!R;CCN]
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[C;!R;CCOO]
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[C;!R;CCO]
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[C;!R;CCP]
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[C;!R;CCSS]
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[C;!R;CCS]
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[C;!R;CC]
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[C;!R;CClClCl]
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[C;!R;CClClF]
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[C;!R;CClClO]
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[C;!R;CClClS]
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[C;!R;CClCl]
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[C;!R;CClFF]
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[C;!R;CClN]
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[C;!R;CFFF]
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[C;!R;CFFI]
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[C;!R;CFFN]
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[C;!R;CFFO]
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[C;!R;CFFP]
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[C;!R;CFFS]
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[C;!R;CFF]
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[C;!R;CFS]
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[C;!R;CNN]
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[C;!R;CNO]
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[C;!R;CNP]
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[C;!R;CNS]
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[C;!R;CN]
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[C;!R;COO]
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[C;!R;COS]
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[C;!R;COSi]
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-
[C;!R;
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[C;!R;CSSS]
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[C;!R;CSS]
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[C;!R;ClClClO]
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[C;!R;ClClClS]
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[C;!R;ClClFS]
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[C;!R;ClClNO]
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[C;!R;ClFFO]
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[C;!R;FFFN]
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[C;!R;FFFO]
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[C;!R;FFFS]
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[C;!R;FFNO]
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[C;!R;FFNS]
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[C;!R;NNN]
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[C;!R;NNO]
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[C;!R;NNS]
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[C;!R;NN]
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[C;!R;NOO]
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[C;!R;NOP]
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[C;!R;NOS]
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[C;!R;NSS]
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[C;!R;NS]
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[C;!R;OOO]
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[C;!R;OOS]
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[C;!R;OSS]
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[C;R;BrBrCC]
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[C;R;BrBrCS]
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[C;R;BrCCC]
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[C;R;BrCC]
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[C;R;BrCN]
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[C;R;BrCS]
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[C;R;CCCC]
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[C;R;CCCCl]
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[C;R;CCCF]
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[C;R;CCCN]
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[C;R;CCCO]
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[C;R;CCCS]
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[C;R;CCCSi]
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[C;R;CCC]
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[C;R;CCClCl]
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[C;R;CCClO]
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[C;R;CCCl]
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[C;R;CCFF]
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[C;R;CCF]
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[C;R;CCNN]
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[C;R;CCNO]
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[C;R;CCNP]
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[C;R;CCNS]
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[C;R;CCN]
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[C;R;CCOO]
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[C;R;CCOS]
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[C;R;CCO]
|
|
|
122 |
[C;R;CCSS]
|
|
|
123 |
[C;R;CCS]
|
|
|
|
|
|
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|
|
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]
|
|
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|
133 |
[C;R;COO]
|
134 |
[C;R;COS]
|
|
|
135 |
[C;R;CSS]
|
136 |
-
[C;R;
|
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]
|
@@ -156,6 +247,8 @@
|
|
156 |
[CH2;!R;CS]
|
157 |
[CH2;!R;CSi]
|
158 |
[CH2;!R;C]
|
|
|
|
|
159 |
[CH2;!R;FO]
|
160 |
[CH2;!R;NN]
|
161 |
[CH2;!R;NO]
|
@@ -166,12 +259,18 @@
|
|
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]
|
@@ -182,6 +281,7 @@
|
|
182 |
[CH2;R;OO]
|
183 |
[CH2;R;OP]
|
184 |
[CH2;R;OS]
|
|
|
185 |
[CH2;R;SS]
|
186 |
[CH3;!R;C]
|
187 |
[CH3;!R;N]
|
@@ -189,8 +289,11 @@
|
|
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]
|
@@ -198,31 +301,50 @@
|
|
198 |
[CH;!R;CCS]
|
199 |
[CH;!R;CCSi]
|
200 |
[CH;!R;CC]
|
|
|
|
|
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|
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;
|
|
|
|
|
|
|
|
|
226 |
[CH;R;CCC]
|
227 |
[CH;R;CCCl]
|
228 |
[CH;R;CCF]
|
@@ -230,8 +352,12 @@
|
|
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]
|
@@ -247,20 +373,39 @@
|
|
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]
|
@@ -271,164 +416,322 @@
|
|
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;
|
|
|
|
|
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;
|
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;
|
|
|
|
|
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]
|
@@ -437,65 +740,116 @@
|
|
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;
|
|
|
|
|
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;
|
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]
|
@@ -503,128 +857,198 @@
|
|
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;
|
552 |
-
[[N-];!R;
|
553 |
[[N-];!R;NS]
|
554 |
[[N-];!R;N]
|
555 |
-
[[N-];R;CC]
|
556 |
[[N-];R;CN]
|
557 |
-
[[N
|
558 |
-
[[N
|
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 |
-
[[
|
579 |
-
[[
|
|
|
|
|
|
|
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 |
-
[[
|
601 |
-
[[
|
602 |
-
[[
|
603 |
-
[[
|
|
|
|
|
|
|
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 |
-
[[
|
623 |
-
[[
|
624 |
-
[[
|
625 |
-
[[
|
626 |
-
[[
|
|
|
627 |
[[n+];R;CCC]
|
|
|
628 |
[[n+];R;CCN]
|
629 |
[[n+];R;CCO]
|
630 |
[[n+];R;CCS]
|
@@ -632,19 +1056,18 @@
|
|
632 |
[[n+];R;CNO]
|
633 |
[[n+];R;COO]
|
634 |
[[n+];R;NNN]
|
635 |
-
[[n
|
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]
|
@@ -678,7 +1101,10 @@
|
|
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]
|
@@ -690,9 +1116,13 @@
|
|
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]
|
@@ -704,8 +1134,10 @@
|
|
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]
|
@@ -715,10 +1147,13 @@
|
|
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]
|
@@ -727,12 +1162,18 @@
|
|
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 |
\
|
|
|
11 |
5
|
12 |
6
|
13 |
7
|
14 |
+
8
|
15 |
=
|
16 |
[Br;!R;C]
|
17 |
[Br;!R;N]
|
18 |
+
[Br;!R;O]
|
19 |
[C;!R;BrBrBrC]
|
20 |
+
[C;!R;BrBrBrCl]
|
21 |
+
[C;!R;BrBrBrF]
|
22 |
+
[C;!R;BrBrBrO]
|
23 |
+
[C;!R;BrBrBrS]
|
24 |
+
[C;!R;BrBrCC]
|
25 |
[C;!R;BrBrCF]
|
26 |
+
[C;!R;BrBrCO]
|
27 |
+
[C;!R;BrBrCP]
|
28 |
[C;!R;BrBrCS]
|
29 |
+
[C;!R;BrBrC]
|
30 |
+
[C;!R;BrBrClF]
|
31 |
[C;!R;BrCCC]
|
32 |
[C;!R;BrCC]
|
33 |
+
[C;!R;BrCClCl]
|
34 |
+
[C;!R;BrCCl]
|
35 |
[C;!R;BrCFF]
|
36 |
+
[C;!R;BrCF]
|
37 |
[C;!R;BrCN]
|
38 |
+
[C;!R;BrCOO]
|
39 |
+
[C;!R;BrCO]
|
40 |
+
[C;!R;BrCSi]
|
41 |
+
[C;!R;BrClClSi]
|
42 |
+
[C;!R;BrFFN]
|
43 |
+
[C;!R;BrFFP]
|
44 |
+
[C;!R;BrFFS]
|
45 |
+
[C;!R;BrNNN]
|
46 |
[C;!R;CCCC]
|
47 |
[C;!R;CCCCl]
|
48 |
[C;!R;CCCF]
|
|
|
50 |
[C;!R;CCCO]
|
51 |
[C;!R;CCCP]
|
52 |
[C;!R;CCCS]
|
53 |
+
[C;!R;CCCSi]
|
54 |
[C;!R;CCC]
|
55 |
[C;!R;CCClCl]
|
56 |
+
[C;!R;CCClF]
|
57 |
[C;!R;CCClO]
|
58 |
+
[C;!R;CCClS]
|
59 |
[C;!R;CCCl]
|
60 |
[C;!R;CCFF]
|
61 |
[C;!R;CCF]
|
62 |
[C;!R;CCI]
|
63 |
[C;!R;CCNN]
|
64 |
[C;!R;CCNO]
|
65 |
+
[C;!R;CCNP]
|
66 |
[C;!R;CCN]
|
67 |
[C;!R;CCOO]
|
68 |
+
[C;!R;CCOP]
|
69 |
+
[C;!R;CCOS]
|
70 |
+
[C;!R;CCOSi]
|
71 |
[C;!R;CCO]
|
72 |
[C;!R;CCP]
|
73 |
[C;!R;CCSS]
|
74 |
[C;!R;CCS]
|
75 |
+
[C;!R;CCSi]
|
76 |
[C;!R;CC]
|
77 |
[C;!R;CClClCl]
|
78 |
[C;!R;CClClF]
|
79 |
+
[C;!R;CClClN]
|
80 |
[C;!R;CClClO]
|
81 |
+
[C;!R;CClClP]
|
82 |
[C;!R;CClClS]
|
83 |
[C;!R;CClCl]
|
84 |
[C;!R;CClFF]
|
85 |
+
[C;!R;CClNN]
|
86 |
[C;!R;CClN]
|
87 |
+
[C;!R;CClO]
|
88 |
+
[C;!R;CClP]
|
89 |
+
[C;!R;CClS]
|
90 |
[C;!R;CFFF]
|
91 |
[C;!R;CFFI]
|
92 |
[C;!R;CFFN]
|
93 |
[C;!R;CFFO]
|
94 |
[C;!R;CFFP]
|
95 |
[C;!R;CFFS]
|
96 |
+
[C;!R;CFFSi]
|
97 |
[C;!R;CFF]
|
98 |
+
[C;!R;CFO]
|
99 |
+
[C;!R;CFPP]
|
100 |
+
[C;!R;CFP]
|
101 |
[C;!R;CFS]
|
102 |
[C;!R;CNN]
|
103 |
[C;!R;CNO]
|
104 |
[C;!R;CNP]
|
105 |
+
[C;!R;CNSS]
|
106 |
[C;!R;CNS]
|
107 |
[C;!R;CN]
|
108 |
+
[C;!R;COOO]
|
109 |
[C;!R;COO]
|
110 |
+
[C;!R;COPP]
|
111 |
+
[C;!R;COP]
|
112 |
+
[C;!R;COSS]
|
113 |
[C;!R;COS]
|
114 |
[C;!R;COSi]
|
115 |
+
[C;!R;CPP]
|
116 |
[C;!R;CSSS]
|
117 |
[C;!R;CSS]
|
118 |
+
[C;!R;CSi]
|
119 |
[C;!R;ClClClO]
|
120 |
+
[C;!R;ClClClP]
|
121 |
[C;!R;ClClClS]
|
122 |
[C;!R;ClClFS]
|
123 |
+
[C;!R;ClClNN]
|
124 |
[C;!R;ClClNO]
|
125 |
+
[C;!R;ClClSS]
|
126 |
+
[C;!R;ClClSiSi]
|
127 |
[C;!R;ClFFO]
|
128 |
[C;!R;FFFN]
|
129 |
[C;!R;FFFO]
|
130 |
[C;!R;FFFS]
|
131 |
+
[C;!R;FFIS]
|
132 |
+
[C;!R;FFNN]
|
133 |
[C;!R;FFNO]
|
134 |
[C;!R;FFNS]
|
135 |
+
[C;!R;FFNSi]
|
136 |
[C;!R;NNN]
|
137 |
+
[C;!R;NNOS]
|
138 |
[C;!R;NNO]
|
139 |
+
[C;!R;NNP]
|
140 |
[C;!R;NNS]
|
141 |
[C;!R;NN]
|
142 |
[C;!R;NOO]
|
143 |
[C;!R;NOP]
|
144 |
[C;!R;NOS]
|
145 |
+
[C;!R;NO]
|
146 |
+
[C;!R;NPS]
|
147 |
[C;!R;NSS]
|
148 |
[C;!R;NS]
|
149 |
+
[C;!R;NSi]
|
150 |
+
[C;!R;OOOP]
|
151 |
[C;!R;OOO]
|
152 |
+
[C;!R;OOP]
|
153 |
[C;!R;OOS]
|
154 |
[C;!R;OSS]
|
155 |
+
[C;!R;SSS]
|
156 |
[C;R;BrBrCC]
|
157 |
[C;R;BrBrCS]
|
158 |
[C;R;BrCCC]
|
159 |
+
[C;R;BrCCCl]
|
160 |
+
[C;R;BrCCN]
|
161 |
+
[C;R;BrCCS]
|
162 |
[C;R;BrCC]
|
163 |
[C;R;BrCN]
|
164 |
+
[C;R;BrCO]
|
165 |
[C;R;BrCS]
|
166 |
+
[C;R;BrNN]
|
167 |
[C;R;CCCC]
|
168 |
[C;R;CCCCl]
|
169 |
[C;R;CCCF]
|
170 |
+
[C;R;CCCI]
|
171 |
[C;R;CCCN]
|
172 |
[C;R;CCCO]
|
173 |
+
[C;R;CCCP]
|
174 |
[C;R;CCCS]
|
175 |
[C;R;CCCSi]
|
176 |
[C;R;CCC]
|
177 |
[C;R;CCClCl]
|
178 |
[C;R;CCClO]
|
179 |
+
[C;R;CCClS]
|
180 |
[C;R;CCCl]
|
181 |
[C;R;CCFF]
|
182 |
[C;R;CCF]
|
183 |
+
[C;R;CCI]
|
184 |
[C;R;CCNN]
|
185 |
[C;R;CCNO]
|
186 |
[C;R;CCNP]
|
187 |
[C;R;CCNS]
|
188 |
[C;R;CCN]
|
189 |
[C;R;CCOO]
|
190 |
+
[C;R;CCOP]
|
191 |
[C;R;CCOS]
|
192 |
[C;R;CCO]
|
193 |
+
[C;R;CCP]
|
194 |
[C;R;CCSS]
|
195 |
+
[C;R;CCSSi]
|
196 |
[C;R;CCS]
|
197 |
+
[C;R;CCSi]
|
198 |
+
[C;R;CC]
|
199 |
+
[C;R;CClClN]
|
200 |
+
[C;R;CClClS]
|
201 |
[C;R;CClN]
|
202 |
[C;R;CClS]
|
203 |
[C;R;CFFO]
|
204 |
+
[C;R;CFFS]
|
205 |
+
[C;R;CFN]
|
206 |
[C;R;CIN]
|
207 |
+
[C;R;CNNN]
|
208 |
[C;R;CNNO]
|
209 |
[C;R;CNN]
|
210 |
[C;R;CNOO]
|
211 |
[C;R;CNO]
|
212 |
+
[C;R;CNP]
|
213 |
+
[C;R;CNSS]
|
214 |
[C;R;CNS]
|
215 |
+
[C;R;COOO]
|
216 |
+
[C;R;COOS]
|
217 |
[C;R;COO]
|
218 |
[C;R;COS]
|
219 |
+
[C;R;CSSS]
|
220 |
[C;R;CSS]
|
221 |
+
[C;R;CSSi]
|
222 |
[C;R;ClNN]
|
223 |
+
[C;R;ClNO]
|
224 |
[C;R;FFOO]
|
225 |
+
[C;R;NNNN]
|
226 |
[C;R;NNN]
|
227 |
+
[C;R;NNOO]
|
228 |
[C;R;NNO]
|
229 |
+
[C;R;NNSS]
|
230 |
[C;R;NNS]
|
231 |
[C;R;NOO]
|
232 |
[C;R;NOS]
|
233 |
[C;R;NSS]
|
234 |
[C;R;OOO]
|
235 |
[C;R;OOS]
|
236 |
+
[C;R;OSS]
|
237 |
+
[C;R;SSS]
|
238 |
[CH2;!R;BrC]
|
239 |
[CH2;!R;BrS]
|
240 |
[CH2;!R;CC]
|
|
|
247 |
[CH2;!R;CS]
|
248 |
[CH2;!R;CSi]
|
249 |
[CH2;!R;C]
|
250 |
+
[CH2;!R;ClS]
|
251 |
+
[CH2;!R;FN]
|
252 |
[CH2;!R;FO]
|
253 |
[CH2;!R;NN]
|
254 |
[CH2;!R;NO]
|
|
|
259 |
[CH2;!R;OP]
|
260 |
[CH2;!R;OS]
|
261 |
[CH2;!R;OSi]
|
262 |
+
[CH2;!R;O]
|
263 |
+
[CH2;!R;PP]
|
264 |
[CH2;!R;PS]
|
265 |
+
[CH2;!R;PSi]
|
266 |
[CH2;!R;SS]
|
267 |
[CH2;!R;SSi]
|
268 |
+
[CH2;!R;S]
|
269 |
+
[CH2;!R;SiSi]
|
270 |
[CH2;R;CC]
|
271 |
[CH2;R;CN]
|
272 |
[CH2;R;CO]
|
273 |
+
[CH2;R;CP]
|
274 |
[CH2;R;CS]
|
275 |
[CH2;R;CSi]
|
276 |
[CH2;R;NN]
|
|
|
281 |
[CH2;R;OO]
|
282 |
[CH2;R;OP]
|
283 |
[CH2;R;OS]
|
284 |
+
[CH2;R;PP]
|
285 |
[CH2;R;SS]
|
286 |
[CH3;!R;C]
|
287 |
[CH3;!R;N]
|
|
|
289 |
[CH3;!R;P]
|
290 |
[CH3;!R;S]
|
291 |
[CH3;!R;Si]
|
292 |
+
[CH;!R;BrBrC]
|
293 |
+
[CH;!R;BrCC]
|
294 |
[CH;!R;BrC]
|
295 |
[CH;!R;CCC]
|
296 |
+
[CH;!R;CCCl]
|
297 |
[CH;!R;CCF]
|
298 |
[CH;!R;CCN]
|
299 |
[CH;!R;CCO]
|
|
|
301 |
[CH;!R;CCS]
|
302 |
[CH;!R;CCSi]
|
303 |
[CH;!R;CC]
|
304 |
+
[CH;!R;CClCl]
|
305 |
+
[CH;!R;CClN]
|
306 |
+
[CH;!R;CClP]
|
307 |
[CH;!R;CCl]
|
308 |
[CH;!R;CFF]
|
309 |
+
[CH;!R;CFS]
|
310 |
[CH;!R;CF]
|
311 |
[CH;!R;CI]
|
312 |
[CH;!R;CNN]
|
313 |
[CH;!R;CNO]
|
314 |
+
[CH;!R;CNP]
|
315 |
[CH;!R;CN]
|
316 |
[CH;!R;COO]
|
317 |
[CH;!R;CO]
|
318 |
+
[CH;!R;CPP]
|
319 |
+
[CH;!R;CPS]
|
320 |
[CH;!R;CP]
|
321 |
[CH;!R;CSS]
|
322 |
[CH;!R;CS]
|
323 |
+
[CH;!R;CSiSi]
|
324 |
[CH;!R;CSi]
|
325 |
[CH;!R;C]
|
326 |
[CH;!R;FFN]
|
327 |
[CH;!R;FFO]
|
328 |
[CH;!R;FFS]
|
329 |
[CH;!R;NNN]
|
330 |
+
[CH;!R;NNO]
|
331 |
+
[CH;!R;NNS]
|
332 |
[CH;!R;NN]
|
333 |
[CH;!R;NOO]
|
334 |
[CH;!R;NO]
|
335 |
+
[CH;!R;NPP]
|
336 |
+
[CH;!R;NSS]
|
337 |
+
[CH;!R;NS]
|
338 |
[CH;!R;NSiSi]
|
339 |
[CH;!R;N]
|
340 |
+
[CH;!R;OOO]
|
341 |
+
[CH;!R;OOP]
|
342 |
[CH;!R;OO]
|
343 |
+
[CH;!R;OS]
|
344 |
+
[CH;!R;SSS]
|
345 |
+
[CH;R;BrCC]
|
346 |
+
[CH;R;BrCN]
|
347 |
+
[CH;R;BrNS]
|
348 |
[CH;R;CCC]
|
349 |
[CH;R;CCCl]
|
350 |
[CH;R;CCF]
|
|
|
352 |
[CH;R;CCO]
|
353 |
[CH;R;CCP]
|
354 |
[CH;R;CCS]
|
355 |
+
[CH;R;CCSi]
|
356 |
[CH;R;CC]
|
357 |
[CH;R;CClN]
|
358 |
+
[CH;R;CClO]
|
359 |
+
[CH;R;CClS]
|
360 |
+
[CH;R;CIN]
|
361 |
[CH;R;CNN]
|
362 |
[CH;R;CNO]
|
363 |
[CH;R;CNS]
|
|
|
373 |
[CH;R;NN]
|
374 |
[CH;R;NOO]
|
375 |
[CH;R;NO]
|
376 |
+
[CH;R;NSS]
|
377 |
[CH;R;NS]
|
378 |
+
[CH;R;OOO]
|
379 |
+
[CH;R;OOP]
|
380 |
+
[CH;R;PSS]
|
381 |
+
[CH;R;SSSi]
|
382 |
[Cl;!R;C]
|
383 |
[Cl;!R;N]
|
384 |
+
[Cl;!R;O]
|
385 |
+
[Cl;!R;P]
|
386 |
[Cl;!R;S]
|
387 |
[F;!R;C]
|
388 |
[F;!R;N]
|
389 |
+
[F;!R;S]
|
390 |
[I;!R;C]
|
391 |
+
[I;!R;N]
|
392 |
+
[N;!R;BrBrS]
|
393 |
+
[N;!R;BrCC]
|
394 |
[N;!R;CCC]
|
395 |
+
[N;!R;CCCl]
|
396 |
[N;!R;CCN]
|
397 |
[N;!R;CCO]
|
398 |
[N;!R;CCP]
|
399 |
[N;!R;CCS]
|
400 |
+
[N;!R;CCSi]
|
401 |
[N;!R;CC]
|
402 |
+
[N;!R;CClCl]
|
403 |
+
[N;!R;CFS]
|
404 |
+
[N;!R;CIS]
|
405 |
+
[N;!R;CNN]
|
406 |
+
[N;!R;CNO]
|
407 |
[N;!R;CNS]
|
408 |
+
[N;!R;CNSi]
|
409 |
[N;!R;CN]
|
410 |
[N;!R;COS]
|
411 |
[N;!R;CO]
|
|
|
416 |
[N;!R;C]
|
417 |
[N;!R;ClClS]
|
418 |
[N;!R;NNO]
|
419 |
+
[N;!R;NN]
|
420 |
[N;!R;NO]
|
421 |
+
[N;!R;NP]
|
422 |
+
[N;!R;NS]
|
423 |
[N;!R;N]
|
424 |
+
[N;!R;OSS]
|
425 |
+
[N;!R;PP]
|
426 |
+
[N;!R;PSi]
|
427 |
[N;!R;SS]
|
428 |
+
[N;!R;SSiSi]
|
429 |
+
[N;!R;SSi]
|
430 |
[N;R;BrCC]
|
431 |
[N;R;CCC]
|
432 |
[N;R;CCCl]
|
433 |
+
[N;R;CCF]
|
434 |
+
[N;R;CCI]
|
435 |
[N;R;CCN]
|
436 |
[N;R;CCO]
|
437 |
[N;R;CCP]
|
438 |
[N;R;CCS]
|
439 |
+
[N;R;CCSi]
|
440 |
[N;R;CC]
|
441 |
+
[N;R;CClS]
|
442 |
+
[N;R;CFS]
|
443 |
+
[N;R;CIS]
|
444 |
[N;R;CNN]
|
445 |
[N;R;CNO]
|
446 |
+
[N;R;CNP]
|
447 |
[N;R;CNS]
|
448 |
[N;R;CN]
|
449 |
[N;R;COO]
|
450 |
[N;R;COS]
|
451 |
[N;R;CO]
|
452 |
[N;R;CP]
|
453 |
+
[N;R;CSS]
|
454 |
[N;R;CS]
|
455 |
+
[N;R;CSiSi]
|
456 |
+
[N;R;FSS]
|
457 |
+
[N;R;NNN]
|
458 |
[N;R;NNO]
|
459 |
[N;R;NN]
|
460 |
[N;R;NO]
|
461 |
+
[N;R;NSS]
|
462 |
+
[N;R;NS]
|
463 |
+
[N;R;OS]
|
464 |
[N;R;PP]
|
465 |
+
[N;R;PS]
|
466 |
+
[N;R;SS]
|
467 |
[NH2;!R;C]
|
468 |
[NH2;!R;N]
|
469 |
[NH2;!R;O]
|
470 |
+
[NH2;!R;P]
|
471 |
[NH2;!R;S]
|
472 |
+
[NH2;!R;Si]
|
473 |
+
[NH;!R;BrC]
|
474 |
[NH;!R;CC]
|
475 |
+
[NH;!R;CCl]
|
476 |
[NH;!R;CN]
|
477 |
[NH;!R;CO]
|
478 |
[NH;!R;CP]
|
479 |
[NH;!R;CS]
|
480 |
+
[NH;!R;CSi]
|
481 |
[NH;!R;C]
|
482 |
+
[NH;!R;ClN]
|
483 |
+
[NH;!R;NN]
|
484 |
+
[NH;!R;NO]
|
485 |
[NH;!R;NP]
|
486 |
[NH;!R;NS]
|
487 |
+
[NH;!R;N]
|
488 |
+
[NH;!R;OP]
|
489 |
[NH;!R;OS]
|
490 |
+
[NH;!R;PP]
|
491 |
+
[NH;!R;P]
|
492 |
+
[NH;!R;SS]
|
493 |
[NH;!R;S]
|
494 |
+
[NH;!R;SiSi]
|
495 |
[NH;R;CC]
|
496 |
[NH;R;CN]
|
497 |
[NH;R;CO]
|
498 |
+
[NH;R;CP]
|
499 |
[NH;R;CS]
|
500 |
[NH;R;NN]
|
501 |
+
[NH;R;NO]
|
502 |
+
[NH;R;NS]
|
503 |
+
[NH;R;OS]
|
504 |
+
[O;!R;BrC]
|
505 |
[O;!R;CC]
|
506 |
+
[O;!R;CCl]
|
507 |
[O;!R;CN]
|
508 |
[O;!R;CP]
|
509 |
[O;!R;CS]
|
510 |
+
[O;!R;CSi]
|
511 |
[O;!R;C]
|
512 |
+
[O;!R;ClS]
|
513 |
[O;!R;NN]
|
514 |
+
[O;!R;NP]
|
515 |
+
[O;!R;NS]
|
516 |
[O;!R;N]
|
517 |
+
[O;!R;PP]
|
518 |
[O;!R;P]
|
519 |
+
[O;!R;SS]
|
520 |
[O;!R;S]
|
521 |
[O;R;CC]
|
522 |
[O;R;CN]
|
523 |
[O;R;CP]
|
524 |
[O;R;CS]
|
525 |
[O;R;NN]
|
526 |
+
[O;R;PP]
|
527 |
[OH;!R;C]
|
528 |
[OH;!R;N]
|
529 |
[OH;!R;P]
|
530 |
+
[OH;!R;S]
|
531 |
[P;!R;CCCO]
|
532 |
[P;!R;CCC]
|
533 |
+
[P;!R;CCNN]
|
534 |
+
[P;!R;CCNO]
|
535 |
[P;!R;CCN]
|
536 |
+
[P;!R;CCOO]
|
537 |
+
[P;!R;CCO]
|
538 |
[P;!R;CNNN]
|
539 |
[P;!R;CNNO]
|
540 |
+
[P;!R;CNN]
|
541 |
+
[P;!R;CNO]
|
542 |
[P;!R;COOO]
|
543 |
+
[P;!R;COO]
|
544 |
+
[P;!R;CO]
|
545 |
+
[P;!R;NNNN]
|
546 |
+
[P;!R;NNNO]
|
547 |
+
[P;!R;NNN]
|
548 |
[P;!R;NNOO]
|
549 |
+
[P;!R;NNO]
|
550 |
+
[P;!R;NN]
|
551 |
[P;!R;NOOO]
|
552 |
+
[P;!R;NOO]
|
553 |
[P;!R;OOOO]
|
554 |
[P;!R;OOO]
|
555 |
+
[P;R;CCCNN]
|
556 |
+
[P;R;CCCO]
|
557 |
+
[P;R;CCC]
|
558 |
[P;R;CCNO]
|
559 |
[P;R;CCOO]
|
560 |
+
[P;R;CNNN]
|
561 |
+
[P;R;CNNO]
|
562 |
+
[P;R;CNN]
|
563 |
+
[P;R;CNOOO]
|
564 |
[P;R;COOOO]
|
565 |
[P;R;COOO]
|
566 |
[P;R;NNNN]
|
567 |
[P;R;NNN]
|
568 |
+
[P;R;NNOO]
|
569 |
[P;R;NOOO]
|
570 |
[P;R;NOO]
|
571 |
+
[P;R;OOOO]
|
572 |
[P;R;OOO]
|
573 |
+
[PH2;!R;C]
|
574 |
+
[PH;!R;CCCC]
|
575 |
+
[PH;!R;CCO]
|
576 |
[PH;!R;CC]
|
577 |
+
[PH;!R;CO]
|
578 |
+
[PH;!R;OOO]
|
579 |
+
[PH;R;CCCC]
|
580 |
+
[PH;R;CC]
|
581 |
+
[PH;R;NNOO]
|
582 |
+
[PH;R;NOOO]
|
583 |
+
[PH;R;OOOO]
|
584 |
+
[PH;R;OOO]
|
585 |
+
[S;!R;CCCN]
|
586 |
+
[S;!R;CCCO]
|
587 |
+
[S;!R;CCC]
|
588 |
[S;!R;CCNO]
|
589 |
+
[S;!R;CCN]
|
590 |
[S;!R;CCOO]
|
591 |
[S;!R;CCO]
|
592 |
[S;!R;CC]
|
593 |
[S;!R;CClOO]
|
594 |
+
[S;!R;CFOO]
|
595 |
+
[S;!R;CNN]
|
596 |
[S;!R;CNOO]
|
597 |
[S;!R;CN]
|
598 |
[S;!R;COOO]
|
599 |
+
[S;!R;COO]
|
600 |
[S;!R;CO]
|
601 |
+
[S;!R;CS]
|
602 |
+
[S;!R;CSi]
|
603 |
[S;!R;C]
|
604 |
+
[S;!R;NNN]
|
605 |
[S;!R;NNOO]
|
606 |
+
[S;!R;NNO]
|
607 |
[S;!R;NN]
|
608 |
[S;!R;NOOO]
|
609 |
+
[S;!R;NO]
|
610 |
+
[S;!R;N]
|
611 |
[S;!R;OOOO]
|
612 |
+
[S;!R;OOO]
|
613 |
+
[S;!R;S]
|
614 |
+
[S;R;CCC]
|
615 |
+
[S;R;CCNN]
|
616 |
[S;R;CCNO]
|
617 |
+
[S;R;CCN]
|
618 |
[S;R;CCOO]
|
619 |
[S;R;CCO]
|
620 |
[S;R;CC]
|
621 |
+
[S;R;CNN]
|
622 |
[S;R;CNOO]
|
623 |
+
[S;R;CNO]
|
624 |
+
[S;R;CNS]
|
625 |
[S;R;CN]
|
626 |
[S;R;COOO]
|
627 |
+
[S;R;COO]
|
628 |
[S;R;CS]
|
629 |
+
[S;R;NNNO]
|
630 |
[S;R;NNN]
|
631 |
[S;R;NNOO]
|
632 |
[S;R;NN]
|
633 |
+
[S;R;NOOO]
|
634 |
+
[SH;!R;CCNO]
|
635 |
[SH;!R;C]
|
636 |
+
[SH;!R;NNO]
|
637 |
[SH;!R;NOO]
|
638 |
+
[SH;!R;N]
|
639 |
+
[SH;!R;OOO]
|
640 |
[Si;!R;CCCC]
|
641 |
[Si;!R;CCCN]
|
642 |
+
[Si;!R;CCCO]
|
643 |
+
[Si;!R;CCCS]
|
644 |
+
[Si;!R;CCCSi]
|
645 |
+
[Si;!R;CCC]
|
646 |
+
[Si;!R;CCSiSi]
|
647 |
+
[Si;!R;CCSi]
|
648 |
+
[Si;!R;CSiSiSi]
|
649 |
+
[Si;!R;SSSS]
|
650 |
+
[Si;!R;SiSiSiSi]
|
651 |
+
[Si;!R;SiSiSi]
|
652 |
[Si;R;CCCC]
|
653 |
+
[Si;R;CCNN]
|
654 |
[[C@@H];!R;BrCC]
|
655 |
[[C@@H];!R;CCC]
|
656 |
+
[[C@@H];!R;CCCl]
|
657 |
[[C@@H];!R;CCF]
|
658 |
[[C@@H];!R;CCN]
|
659 |
[[C@@H];!R;CCO]
|
660 |
[[C@@H];!R;CCP]
|
661 |
[[C@@H];!R;CCS]
|
662 |
+
[[C@@H];!R;CCSi]
|
663 |
[[C@@H];!R;CClS]
|
664 |
[[C@@H];!R;CFN]
|
665 |
[[C@@H];!R;CFO]
|
666 |
+
[[C@@H];!R;CFP]
|
667 |
[[C@@H];!R;CFS]
|
668 |
[[C@@H];!R;CNN]
|
669 |
[[C@@H];!R;CNO]
|
670 |
[[C@@H];!R;CNP]
|
671 |
[[C@@H];!R;CNS]
|
672 |
+
[[C@@H];!R;CNSi]
|
673 |
[[C@@H];!R;COO]
|
674 |
[[C@@H];!R;COP]
|
675 |
[[C@@H];!R;COS]
|
676 |
+
[[C@@H];!R;CPS]
|
677 |
+
[[C@@H];!R;CSS]
|
678 |
[[C@@H];!R;FNO]
|
679 |
+
[[C@@H];!R;NNN]
|
680 |
+
[[C@@H];!R;NNO]
|
681 |
[[C@@H];!R;NOO]
|
682 |
+
[[C@@H];!R;SSS]
|
683 |
+
[[C@@H];R;BrCC]
|
684 |
[[C@@H];R;CCC]
|
685 |
+
[[C@@H];R;CCCl]
|
686 |
[[C@@H];R;CCF]
|
687 |
[[C@@H];R;CCN]
|
688 |
[[C@@H];R;CCO]
|
689 |
+
[[C@@H];R;CCP]
|
690 |
[[C@@H];R;CCS]
|
691 |
+
[[C@@H];R;CCSi]
|
692 |
+
[[C@@H];R;CClN]
|
693 |
+
[[C@@H];R;CFO]
|
694 |
[[C@@H];R;CNN]
|
695 |
[[C@@H];R;CNO]
|
696 |
+
[[C@@H];R;CNP]
|
697 |
[[C@@H];R;CNS]
|
698 |
+
[[C@@H];R;CNSi]
|
699 |
[[C@@H];R;COO]
|
700 |
+
[[C@@H];R;COP]
|
701 |
[[C@@H];R;COS]
|
702 |
+
[[C@@H];R;CPS]
|
703 |
[[C@@H];R;CSS]
|
704 |
[[C@@H];R;NNN]
|
705 |
+
[[C@@H];R;NNO]
|
706 |
[[C@@H];R;NNS]
|
707 |
[[C@@H];R;NOO]
|
708 |
+
[[C@@H];R;NOS]
|
709 |
+
[[C@@H];R;NSS]
|
710 |
+
[[C@@H];R;OOO]
|
711 |
+
[[C@@];!R;BrCCC]
|
712 |
[[C@@];!R;BrCCCl]
|
713 |
+
[[C@@];!R;BrCCF]
|
714 |
+
[[C@@];!R;BrCCN]
|
715 |
+
[[C@@];!R;BrCCO]
|
716 |
[[C@@];!R;BrCCS]
|
717 |
+
[[C@@];!R;BrCClF]
|
718 |
[[C@@];!R;BrCClS]
|
719 |
+
[[C@@];!R;BrCFO]
|
720 |
+
[[C@@];!R;BrCIS]
|
721 |
[[C@@];!R;CCCC]
|
722 |
+
[[C@@];!R;CCCCl]
|
723 |
[[C@@];!R;CCCF]
|
724 |
[[C@@];!R;CCCN]
|
725 |
[[C@@];!R;CCCO]
|
726 |
[[C@@];!R;CCCS]
|
727 |
+
[[C@@];!R;CCCSi]
|
728 |
[[C@@];!R;CCClF]
|
729 |
+
[[C@@];!R;CCClN]
|
730 |
+
[[C@@];!R;CCClO]
|
731 |
[[C@@];!R;CCClS]
|
732 |
[[C@@];!R;CCFN]
|
733 |
+
[[C@@];!R;CCFO]
|
734 |
+
[[C@@];!R;CCFS]
|
735 |
[[C@@];!R;CCNN]
|
736 |
[[C@@];!R;CCNO]
|
737 |
[[C@@];!R;CCNP]
|
|
|
740 |
[[C@@];!R;CClFI]
|
741 |
[[C@@];!R;CClFO]
|
742 |
[[C@@];!R;CClIS]
|
743 |
+
[[C@@];!R;CFPS]
|
744 |
+
[[C@@];!R;COPP]
|
745 |
[[C@@];R;BrCCC]
|
746 |
+
[[C@@];R;BrCCCl]
|
747 |
+
[[C@@];R;BrCCF]
|
748 |
[[C@@];R;BrCCN]
|
749 |
[[C@@];R;BrCCO]
|
750 |
+
[[C@@];R;BrCCS]
|
751 |
[[C@@];R;CCCC]
|
752 |
[[C@@];R;CCCCl]
|
753 |
[[C@@];R;CCCF]
|
754 |
+
[[C@@];R;CCCI]
|
755 |
[[C@@];R;CCCN]
|
756 |
[[C@@];R;CCCO]
|
757 |
+
[[C@@];R;CCCP]
|
758 |
[[C@@];R;CCCS]
|
759 |
+
[[C@@];R;CCCSi]
|
760 |
[[C@@];R;CCClF]
|
761 |
+
[[C@@];R;CCClO]
|
762 |
+
[[C@@];R;CCClS]
|
763 |
+
[[C@@];R;CCClSi]
|
764 |
[[C@@];R;CCFN]
|
765 |
+
[[C@@];R;CCFO]
|
766 |
+
[[C@@];R;CCFS]
|
767 |
[[C@@];R;CCNN]
|
768 |
[[C@@];R;CCNO]
|
769 |
[[C@@];R;CCNS]
|
770 |
[[C@@];R;CCOO]
|
771 |
[[C@@];R;CCOP]
|
772 |
[[C@@];R;CCOS]
|
773 |
+
[[C@@];R;CCOSi]
|
774 |
+
[[C@@];R;CCSS]
|
775 |
[[C@@];R;CCSSi]
|
776 |
+
[[C@@];R;CINO]
|
777 |
[[C@@];R;CNNO]
|
778 |
+
[[C@@];R;CNNS]
|
779 |
[[C@@];R;CNOO]
|
780 |
+
[[C@@];R;CNOS]
|
781 |
+
[[C@@];R;CNSS]
|
782 |
+
[[C@@];R;COOO]
|
783 |
+
[[C@@];R;COOS]
|
784 |
+
[[C@@];R;COSS]
|
785 |
+
[[C@@];R;NNNO]
|
786 |
+
[[C@@];R;NNNS]
|
787 |
+
[[C@@];R;NNOS]
|
788 |
[[C@@];R;NNSS]
|
789 |
+
[[C@@];R;OOOS]
|
790 |
[[C@H];!R;BrCC]
|
791 |
[[C@H];!R;CCC]
|
792 |
+
[[C@H];!R;CCCl]
|
793 |
[[C@H];!R;CCF]
|
794 |
[[C@H];!R;CCN]
|
795 |
[[C@H];!R;CCO]
|
796 |
[[C@H];!R;CCP]
|
797 |
[[C@H];!R;CCS]
|
798 |
+
[[C@H];!R;CCSi]
|
799 |
[[C@H];!R;CClS]
|
800 |
[[C@H];!R;CFN]
|
801 |
+
[[C@H];!R;CFO]
|
802 |
+
[[C@H];!R;CFS]
|
803 |
[[C@H];!R;CNN]
|
804 |
[[C@H];!R;CNO]
|
805 |
[[C@H];!R;CNP]
|
806 |
[[C@H];!R;CNS]
|
807 |
+
[[C@H];!R;CNSi]
|
808 |
[[C@H];!R;COO]
|
809 |
[[C@H];!R;COP]
|
810 |
[[C@H];!R;COS]
|
811 |
+
[[C@H];!R;COSi]
|
812 |
+
[[C@H];!R;CSS]
|
813 |
+
[[C@H];!R;CSSi]
|
814 |
[[C@H];!R;FNO]
|
815 |
+
[[C@H];!R;NNN]
|
816 |
+
[[C@H];!R;NOO]
|
817 |
[[C@H];R;BrCC]
|
818 |
[[C@H];R;CCC]
|
819 |
+
[[C@H];R;CCCl]
|
820 |
[[C@H];R;CCF]
|
821 |
+
[[C@H];R;CCI]
|
822 |
[[C@H];R;CCN]
|
823 |
[[C@H];R;CCO]
|
824 |
[[C@H];R;CCP]
|
825 |
[[C@H];R;CCS]
|
826 |
+
[[C@H];R;CCSi]
|
827 |
+
[[C@H];R;CFO]
|
828 |
[[C@H];R;CNN]
|
829 |
[[C@H];R;CNO]
|
830 |
+
[[C@H];R;CNP]
|
831 |
[[C@H];R;CNS]
|
832 |
+
[[C@H];R;CNSi]
|
833 |
[[C@H];R;COO]
|
834 |
+
[[C@H];R;COP]
|
835 |
[[C@H];R;COS]
|
836 |
+
[[C@H];R;CPS]
|
837 |
+
[[C@H];R;CSS]
|
838 |
+
[[C@H];R;NNN]
|
839 |
[[C@H];R;NNO]
|
840 |
[[C@H];R;NNS]
|
841 |
[[C@H];R;NOO]
|
842 |
+
[[C@H];R;NOS]
|
843 |
+
[[C@H];R;NSS]
|
844 |
[[C@H];R;OOO]
|
845 |
+
[[C@];!R;BrCCC]
|
846 |
+
[[C@];!R;BrCCCl]
|
847 |
[[C@];!R;BrCCF]
|
848 |
+
[[C@];!R;BrCCO]
|
849 |
[[C@];!R;BrCCS]
|
850 |
+
[[C@];!R;BrCClF]
|
851 |
[[C@];!R;BrCClS]
|
852 |
+
[[C@];!R;BrCFO]
|
853 |
[[C@];!R;BrCIS]
|
854 |
[[C@];!R;CCCC]
|
855 |
[[C@];!R;CCCCl]
|
|
|
857 |
[[C@];!R;CCCN]
|
858 |
[[C@];!R;CCCO]
|
859 |
[[C@];!R;CCCS]
|
860 |
+
[[C@];!R;CCCSi]
|
861 |
[[C@];!R;CCClF]
|
862 |
+
[[C@];!R;CCClN]
|
863 |
[[C@];!R;CCClO]
|
864 |
[[C@];!R;CCClS]
|
865 |
[[C@];!R;CCFN]
|
866 |
[[C@];!R;CCFO]
|
867 |
+
[[C@];!R;CCFS]
|
868 |
[[C@];!R;CCNN]
|
869 |
[[C@];!R;CCNO]
|
870 |
+
[[C@];!R;CCNP]
|
871 |
+
[[C@];!R;CCNS]
|
872 |
+
[[C@];!R;CCOO]
|
873 |
+
[[C@];!R;CCOP]
|
874 |
[[C@];!R;CClFO]
|
875 |
+
[[C@];!R;CClFS]
|
876 |
[[C@];!R;CClIS]
|
877 |
+
[[C@];!R;CFPS]
|
878 |
+
[[C@];!R;COPP]
|
879 |
[[C@];R;BrCCC]
|
880 |
[[C@];R;BrCCCl]
|
881 |
+
[[C@];R;BrCCF]
|
882 |
+
[[C@];R;BrCCN]
|
883 |
+
[[C@];R;BrCCO]
|
884 |
[[C@];R;CCCC]
|
885 |
[[C@];R;CCCCl]
|
886 |
[[C@];R;CCCF]
|
887 |
[[C@];R;CCCI]
|
888 |
[[C@];R;CCCN]
|
889 |
[[C@];R;CCCO]
|
890 |
+
[[C@];R;CCCP]
|
891 |
[[C@];R;CCCS]
|
892 |
+
[[C@];R;CCCSi]
|
893 |
[[C@];R;CCClF]
|
894 |
+
[[C@];R;CCClN]
|
895 |
+
[[C@];R;CCClO]
|
896 |
+
[[C@];R;CCClP]
|
897 |
+
[[C@];R;CCClS]
|
898 |
[[C@];R;CCFN]
|
899 |
+
[[C@];R;CCFO]
|
900 |
+
[[C@];R;CCFS]
|
901 |
[[C@];R;CCNN]
|
902 |
[[C@];R;CCNO]
|
903 |
+
[[C@];R;CCNP]
|
904 |
[[C@];R;CCNS]
|
905 |
+
[[C@];R;CCNSi]
|
906 |
[[C@];R;CCOO]
|
907 |
[[C@];R;CCOP]
|
908 |
+
[[C@];R;CCOS]
|
909 |
[[C@];R;CCOSi]
|
910 |
+
[[C@];R;CCSS]
|
911 |
+
[[C@];R;CCSSi]
|
912 |
+
[[C@];R;CINO]
|
913 |
[[C@];R;CNNO]
|
914 |
[[C@];R;CNNS]
|
915 |
[[C@];R;CNOO]
|
916 |
+
[[C@];R;CNOS]
|
917 |
+
[[C@];R;COOO]
|
918 |
+
[[C@];R;COOS]
|
919 |
+
[[C@];R;NNNO]
|
920 |
[[C@];R;NNNS]
|
921 |
+
[[C@];R;NNOS]
|
922 |
[[C@];R;NNSS]
|
923 |
+
[[C@];R;OOOS]
|
924 |
+
[[N+];!R;CCCC]
|
925 |
[[N+];!R;CCC]
|
926 |
+
[[N+];!R;CCO]
|
927 |
+
[[N+];!R;CCS]
|
928 |
[[N+];!R;CC]
|
929 |
+
[[N+];!R;CNO]
|
930 |
[[N+];!R;CN]
|
931 |
[[N+];!R;COO]
|
932 |
+
[[N+];!R;COS]
|
933 |
+
[[N+];!R;NNO]
|
934 |
[[N+];!R;NN]
|
935 |
[[N+];!R;NOO]
|
936 |
[[N+];!R;OOO]
|
937 |
[[N+];R;CCC]
|
938 |
[[N+];R;CCN]
|
939 |
[[N+];R;CCO]
|
940 |
+
[[N+];R;CCS]
|
941 |
+
[[N+];R;CNN]
|
942 |
+
[[N+];R;CNO]
|
943 |
+
[[N+];R;COO]
|
944 |
[[N+];R;NNO]
|
945 |
[[N+];R;NOO]
|
|
|
946 |
[[N-];!R;CN]
|
947 |
+
[[N-];!R;NN]
|
948 |
+
[[N-];!R;NO]
|
949 |
[[N-];!R;NS]
|
950 |
[[N-];!R;N]
|
|
|
951 |
[[N-];R;CN]
|
952 |
+
[[N@@];R;CCC]
|
953 |
+
[[N@];R;CCC]
|
|
|
|
|
954 |
[[NH+];!R;CN]
|
|
|
|
|
|
|
|
|
955 |
[[NH+];R;CN]
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
956 |
[[O+];R;CN]
|
|
|
957 |
[[O-];!R;N]
|
958 |
+
[[P@@H];!R;COO]
|
959 |
+
[[P@@H];!R;OOO]
|
960 |
+
[[P@@H];R;CCO]
|
961 |
+
[[P@@H];R;COO]
|
962 |
+
[[P@@H];R;NNO]
|
963 |
[[P@@];!R;CCCO]
|
964 |
[[P@@];!R;CCNN]
|
965 |
[[P@@];!R;CCNO]
|
966 |
[[P@@];!R;CCOO]
|
967 |
+
[[P@@];!R;CNNO]
|
968 |
+
[[P@@];!R;CNN]
|
969 |
[[P@@];!R;CNOO]
|
970 |
[[P@@];!R;COOO]
|
971 |
+
[[P@@];!R;NNOO]
|
972 |
+
[[P@@];!R;NOOO]
|
973 |
+
[[P@@];!R;OOOO]
|
974 |
[[P@@];R;CCCO]
|
975 |
+
[[P@@];R;CCC]
|
976 |
+
[[P@@];R;CCNO]
|
977 |
[[P@@];R;CCOO]
|
978 |
+
[[P@@];R;CNNN]
|
979 |
+
[[P@@];R;CNNO]
|
980 |
+
[[P@@];R;CNOO]
|
981 |
+
[[P@@];R;COOO]
|
982 |
+
[[P@@];R;NNNN]
|
983 |
+
[[P@@];R;NNOO]
|
984 |
[[P@@];R;NOOO]
|
985 |
[[P@@];R;OOOO]
|
986 |
+
[[P@H];!R;CCO]
|
987 |
+
[[P@H];!R;COO]
|
988 |
[[P@H];!R;OOO]
|
989 |
+
[[P@H];R;COO]
|
990 |
+
[[P@H];R;NNO]
|
991 |
+
[[P@];!R;CCCO]
|
992 |
[[P@];!R;CCNN]
|
993 |
[[P@];!R;CCNO]
|
994 |
[[P@];!R;CCOO]
|
995 |
+
[[P@];!R;CNNO]
|
996 |
+
[[P@];!R;CNN]
|
997 |
[[P@];!R;CNOO]
|
998 |
[[P@];!R;COOO]
|
|
|
999 |
[[P@];!R;NOOO]
|
1000 |
+
[[P@];!R;OOOO]
|
1001 |
[[P@];R;CCCO]
|
1002 |
+
[[P@];R;CCC]
|
1003 |
+
[[P@];R;CCNO]
|
1004 |
+
[[P@];R;CCOO]
|
1005 |
+
[[P@];R;CNNN]
|
1006 |
[[P@];R;CNNO]
|
1007 |
+
[[P@];R;CNOO]
|
1008 |
+
[[P@];R;COOO]
|
1009 |
+
[[P@];R;NNNN]
|
1010 |
+
[[P@];R;NNOO]
|
1011 |
+
[[P@];R;NOOO]
|
1012 |
+
[[P@];R;OOOO]
|
1013 |
+
[[S+];!R;CC]
|
1014 |
[[S@@];!R;CCNO]
|
1015 |
[[S@@];!R;CCN]
|
1016 |
[[S@@];!R;CCO]
|
1017 |
[[S@@];!R;CNNO]
|
1018 |
+
[[S@@];!R;CNN]
|
1019 |
[[S@@];!R;CNOO]
|
1020 |
[[S@@];!R;CNO]
|
1021 |
+
[[S@@];!R;COOS]
|
1022 |
[[S@@];!R;COO]
|
1023 |
+
[[S@@];!R;NNO]
|
1024 |
+
[[S@@];!R;NOO]
|
1025 |
[[S@@];R;CCNO]
|
1026 |
[[S@@];R;CCO]
|
1027 |
+
[[S@@];R;CNO]
|
1028 |
+
[[S@@];R;COO]
|
1029 |
+
[[S@@];R;NNO]
|
1030 |
[[S@];!R;CCNO]
|
1031 |
[[S@];!R;CCN]
|
1032 |
[[S@];!R;CCO]
|
1033 |
[[S@];!R;CNNO]
|
1034 |
+
[[S@];!R;CNN]
|
1035 |
[[S@];!R;CNOO]
|
1036 |
[[S@];!R;CNO]
|
1037 |
+
[[S@];!R;COOS]
|
1038 |
+
[[S@];!R;COO]
|
1039 |
+
[[S@];!R;NNO]
|
1040 |
[[S@];!R;NOO]
|
1041 |
[[S@];R;CCNO]
|
1042 |
+
[[S@];R;CCN]
|
1043 |
[[S@];R;CCO]
|
1044 |
+
[[S@];R;CNN]
|
1045 |
+
[[S@];R;CNO]
|
1046 |
+
[[S@];R;COO]
|
1047 |
+
[[S@];R;NNO]
|
1048 |
+
[[S@];R;NOO]
|
1049 |
+
[[[S@]+];!R;CCC]
|
1050 |
[[n+];R;CCC]
|
1051 |
+
[[n+];R;CCF]
|
1052 |
[[n+];R;CCN]
|
1053 |
[[n+];R;CCO]
|
1054 |
[[n+];R;CCS]
|
|
|
1056 |
[[n+];R;CNO]
|
1057 |
[[n+];R;COO]
|
1058 |
[[n+];R;NNN]
|
1059 |
+
[[n+];R;NOO]
|
1060 |
[[n-];R;CN]
|
|
|
|
|
1061 |
[[n-];R;NN]
|
1062 |
[[n-];R;NO]
|
|
|
|
|
1063 |
[[nH+];R;CN]
|
1064 |
[[o+];R;CC]
|
1065 |
[[o+];R;CN]
|
1066 |
+
[[s+];R;CCC]
|
1067 |
[[s+];R;CC]
|
1068 |
[[s+];R;CN]
|
1069 |
+
[[s+];R;CS]
|
1070 |
+
[[s+];R;NS]
|
1071 |
[c;R;BrCC]
|
1072 |
[c;R;BrCN]
|
1073 |
[c;R;BrCO]
|
|
|
1101 |
[c;R;COO]
|
1102 |
[c;R;COP]
|
1103 |
[c;R;COS]
|
1104 |
+
[c;R;COSi]
|
1105 |
+
[c;R;CPS]
|
1106 |
[c;R;CSS]
|
1107 |
+
[c;R;CSSi]
|
1108 |
[c;R;ClNN]
|
1109 |
[c;R;ClNO]
|
1110 |
[c;R;ClNS]
|
|
|
1116 |
[c;R;NNO]
|
1117 |
[c;R;NNP]
|
1118 |
[c;R;NNS]
|
1119 |
+
[c;R;NNSi]
|
1120 |
[c;R;NOO]
|
1121 |
[c;R;NOS]
|
1122 |
+
[c;R;NOSi]
|
1123 |
+
[c;R;NPS]
|
1124 |
[c;R;NSS]
|
1125 |
+
[c;R;NSSi]
|
1126 |
[c;R;OOO]
|
1127 |
[c;R;OOS]
|
1128 |
[c;R;OSS]
|
|
|
1134 |
[cH;R;NN]
|
1135 |
[cH;R;NO]
|
1136 |
[cH;R;NS]
|
1137 |
+
[n;R;BrCC]
|
1138 |
[n;R;BrCN]
|
1139 |
[n;R;CCC]
|
1140 |
+
[n;R;CCCl]
|
1141 |
[n;R;CCF]
|
1142 |
[n;R;CCN]
|
1143 |
[n;R;CCO]
|
|
|
1147 |
[n;R;CC]
|
1148 |
[n;R;CNN]
|
1149 |
[n;R;CNO]
|
1150 |
+
[n;R;CNP]
|
1151 |
[n;R;CNS]
|
1152 |
[n;R;CN]
|
1153 |
+
[n;R;COS]
|
1154 |
[n;R;CO]
|
1155 |
[n;R;CS]
|
1156 |
+
[n;R;NNN]
|
1157 |
[n;R;NN]
|
1158 |
[n;R;NO]
|
1159 |
[n;R;NS]
|
|
|
1162 |
[nH;R;CO]
|
1163 |
[nH;R;CS]
|
1164 |
[nH;R;NN]
|
1165 |
+
[nH;R;NS]
|
1166 |
[o;R;CC]
|
1167 |
[o;R;CN]
|
1168 |
+
[o;R;CS]
|
1169 |
[o;R;NN]
|
1170 |
+
[p;R;CCC]
|
1171 |
+
[p;R;CCCl]
|
1172 |
[p;R;CC]
|
1173 |
[s;R;CC]
|
1174 |
[s;R;CN]
|
1175 |
+
[s;R;CO]
|
1176 |
[s;R;CS]
|
1177 |
[s;R;NN]
|
1178 |
+
[s;R;NS]
|
1179 |
\
|