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1ca6da3 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 | {
"benzene": {
"smarts": "c1ccccc1",
"n_ref": 100
},
"pyridine": {
"smarts": "c1ccncc1",
"n_ref": 55
},
"naphthalene": {
"smarts": "c1ccc2ccccc2c1",
"n_ref": 100
},
"indole": {
"smarts": "c1ccc2[nH]ccc2c1",
"n_ref": 42
},
"cyclohexane": {
"smarts": "C1CCCCC1",
"n_ref": 100
},
"cyclopentane": {
"smarts": "C1CCCC1",
"n_ref": 0
}
} |