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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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4 results for Pattern / motif query
Pattern / motif 4 results DB fairmol
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Pattern registry Vnos: triazole_123 1,2,3-Triazole
ID 1467 DB fairmol
2D structure

NMT-TY0116

ID 1467

O=c1[nH]c(S)nc2n[nH]nc12

Formula: C4H3N5OS

MW: 169.17 | LogP: -0.67

TPSA: 87.32

Patterns:

1,2,3-Triazole
Detail
ID 1500 DB fairmol
2D structure

ulfkktlib_2947

ID 1500

c1cc2nsnc2c2n[nH]nc12

Formula: C6H3N5S

MW: 177.19 | LogP: 0.96

TPSA: 67.35

Patterns:

1,2,3-Triazole
Detail
ID 1819 DB fairmol
2D structure

NMT-TY0139

ID 1819

O=c1c2n[nH]nc2nc2n1[C@@H](CO)CS2

Formula: C7H7N5O2S

MW: 225.23 | LogP: -0.85

TPSA: 96.69

Patterns:

1,2,3-Triazole
Detail
ID 1961 DB fairmol
2D structure

NMT-TY0153

ID 1961

O=c1c2n[nH]nc2nc2n1C[C@H](O)CS2

Formula: C7H7N5O2S

MW: 225.23 | LogP: -1.02

TPSA: 96.69

Patterns:

1,2,3-Triazole
Detail