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[C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][Cl] | 0 | 0 | 0 | [
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[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
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[C][O][C][Branch2][Branch1][#C][C][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][#C][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][C][C][O][C][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
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[C][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=N][C][Branch1][#C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][N][C][=N][C][Branch1][P][N][C][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
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[C][C][S][C][=C][C][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][C][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
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2101,
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429,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][O][C][=C][N][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
2630,
1493,
2161,
2867,
1930,
421,
1897,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 9 |
[C][C][Branch2][=Branch1][Branch2][C][C][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=C][Ring1][S][O][=N][Ring2][Ring2][#Branch1][O][C][C][O][Ring2][Ring2][P] | 0 | 0 | 0 | [
2,
1274,
1487,
428,
1399,
1502,
2852,
1699,
2313,
439,
1473,
1302,
1369,
2459,
429,
1719,
1307,
429,
1300,
439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 21 |
[C][C][S][C][C][C][C][Ring1][Ring2][Branch1][C][O][C][N][C][=N][C][Branch1][S][N][C][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
2537,
2364,
1488,
1827,
429,
1291,
1569,
1308,
1353,
1697,
2742,
445,
421,
1522,
1287,
1424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 18 |
[C][O][C][=C][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Branch1][C][Br][C][=N][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
1423,
2395,
1340,
1750,
2149,
1406,
1941,
441,
1344,
1339,
425,
1848,
420,
1690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][P][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][O][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1357,
1332,
2113,
2136,
1691,
2566,
429,
1329,
2391,
1593,
1356,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[C][O][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1474,
1449,
1624,
1324,
1432,
1346,
442,
1724,
2400,
1869,
1411,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[O][=C][Branch1][Ring1][N][Dy][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][=N][Ring2][Ring1][N][C][C][O][C][C][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
420,
1449,
2547,
2418,
2449,
2959,
1289,
1404,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 15 |
[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][Branch2][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2668,
1511,
1293,
1772,
1429,
1563,
1622,
2503,
2104,
1637,
1403,
1305,
1426,
422,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
1626,
2332,
2996,
1829,
2425,
1447,
420,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 15 |
[C][C][S][C][Branch1][C][C][=C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch1][P][N][C@H1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][C][=Ring2][Ring1][S][Br] | 0 | 0 | 0 | [
2,
1274,
1337,
1425,
1304,
1279,
2316,
1885,
1378,
1634,
1274,
440,
1368,
1343,
1403,
420,
450,
2166,
443,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][C][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1349,
1288,
1276,
1493,
1502,
2302,
1464,
1616,
1765,
1383,
1338,
440,
1372,
1287,
1394,
1719,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 18 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1365,
1473,
1449,
2592,
2811,
1408,
2025,
1323,
1325,
1411,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][Cl][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
2483,
1886,
1827,
2404,
1751,
1484,
1318,
1501,
1309,
1276,
1302,
1472,
437,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=C][N][C][C][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][C][N][C][=Branch1][C][=O][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N][=O][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1293,
1469,
1446,
1562,
2967,
1484,
1285,
1387,
1337,
426,
2654,
1286,
433,
1463,
2228,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 22 |
[O][=C][C][C][C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][=C][Ring2][Ring2][Branch2][C][Ring2][Ring2][N][=O][C][=Branch1][C][=O][N][Ring2][Branch1][Ring2] | 0 | 0 | 0 | [
2,
2668,
1313,
1487,
425,
1387,
1473,
1483,
2305,
2211,
1484,
1697,
438,
1319,
433,
1286,
1568,
1372,
1287,
1439,
1877,
420,
1300,
424,
430,
420,
1280,
427,
1395,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 30 |
[C][=C][Branch1][C][C][C][O][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
2401,
1307,
2547,
2418,
1361,
1318,
2042,
1339,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1] | 0 | 0 | 0 | [
2,
1526,
1526,
2485,
1624,
2755,
1406,
1697,
1307,
1399,
1274,
1372,
1287,
1597,
2706,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[O][=C][Branch1][C][O][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][O][N][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][Branch2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][N][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1511,
1293,
1510,
1927,
2519,
1399,
1528,
1950,
1463,
1312,
1410,
1862,
2824,
1411,
1882,
427,
1290,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][S][C][=C][C][=C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][Branch1][#C][N][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2] | 0 | 0 | 0 | [
2,
2537,
1286,
2571,
1298,
438,
1552,
1275,
1302,
1594,
2712,
1383,
2523,
1524,
1810,
1322,
1319,
2471,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
0
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[O][=C][Branch2][Branch1][=Branch2][C][C@@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1510,
1713,
1626,
1912,
1515,
432,
2117,
2807,
1403,
1286,
1323,
1325,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1326,
1357,
1530,
1374,
1812,
1712,
1409,
1750,
1417,
1784,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1643,
424,
1372,
1386,
1338,
2300,
2056,
2682,
2641,
2103,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 18 |
[C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1274,
1757,
424,
2285,
2286,
1307,
1377,
1344,
1361,
1518,
1326,
1357,
433,
1463,
1287,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 18 |
[C][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
1274,
2000,
2565,
1651,
1435,
1363,
1279,
1587,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[O][=C][Branch2][=Branch1][=Branch2][C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring2][Ring1][C][C][C][C][C][Ring2][Ring2][#Branch2][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1487,
434,
1274,
1789,
2698,
2310,
1472,
1484,
2822,
1490,
1547,
2471,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][C][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][O][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
2205,
1757,
1543,
1827,
2404,
1751,
2502,
1337,
441,
1463,
1287,
1355,
429,
1413,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[N][#C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=N][C][C][C][N][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
424,
438,
1286,
2260,
440,
1543,
1445,
3009,
2674,
2895,
2468,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[C][N][C][C][N][Branch2][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][P][N][C][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][=N] | 0 | 0 | 0 | [
2,
420,
2381,
1487,
1274,
1377,
2575,
2290,
1512,
1634,
423,
433,
1357,
1301,
2218,
1339,
1694,
1300,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][S][C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1] | 0 | 0 | 0 | [
2,
1274,
1666,
1445,
2948,
1689,
1302,
2538,
1447,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 10 |
[C][=C][C][S][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
1293,
1666,
2007,
2998,
1408,
1697,
2742,
445,
421,
1405,
1335,
1424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[C][=C][C][O][C][C][C][N][C][=N][C][Branch1][=C][N][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][O][C][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C@@H1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1293,
1925,
1562,
2410,
1294,
1799,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 9 |
[C][C][=C][C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][C][=C][Ring2][Ring2][#Branch1][Cl] | 0 | 0 | 0 | [
2,
1349,
1861,
2102,
2055,
1288,
1921,
1329,
1746,
1424,
425,
2324,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
1501,
1491,
2500,
1323,
2068,
1968,
1511,
1558,
1821,
427,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[C][C][Branch1][C][O][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][F][=N][C][N][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][#C][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1274,
1569,
1341,
1281,
1301,
1276,
2108,
1344,
1402,
2287,
1634,
1283,
427,
1357,
1619,
1291,
1397,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
2177,
1293,
1769,
1454,
2262,
1470,
1989,
2298,
1515,
1381,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[O][=C][Branch2][Branch1][=Branch2][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][=N][C][Branch1][#C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1510,
1674,
1978,
424,
1344,
420,
1968,
2727,
1659,
2894,
1403,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][N][C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][#N][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=C][C][C][Ring2][Ring2][Branch1][=O] | 0 | 0 | 0 | [
2,
420,
1285,
2321,
2672,
2942,
1466,
1518,
1407,
1286,
1863,
1379,
1274,
2082,
430,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][O][C][=C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][Cl][=N][Ring2][Ring1][#C][=C][Branch1][C][Br][C][=N][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
1423,
2260,
1366,
2024,
441,
1528,
2253,
1353,
1686,
1276,
1302,
1376,
437,
1394,
1848,
420,
1865,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[C][O][C][=Branch1][C][=O][C][C][N][=C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][=C][N][C@@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][S][C][=Ring2][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
1613,
1315,
1510,
1374,
1750,
1417,
1606,
1518,
1283,
422,
1349,
2739,
1339,
421,
1337,
450,
2445,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[C][C][=C][N][=C][Branch2][Ring2][P][N][C][=N][C][Branch1][N][N][C][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][O][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N][S][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2143,
1458,
2602,
2223,
429,
1408,
2025,
1323,
1325,
1411,
433,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[C][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][O][=C][C][=C][Ring2][Ring2][C][F] | 0 | 0 | 0 | [
2,
1349,
1458,
1429,
1527,
1350,
1466,
1634,
1407,
1357,
1323,
1325,
1356,
1882,
420,
432,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[C][C][=C][C][=C][Branch2][Branch1][=C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][Cl][=N][Ring2][Ring2][C][N][Ring2][Ring2][=Branch2][C] | 0 | 0 | 0 | [
2,
1759,
1305,
1997,
1326,
1537,
1768,
1578,
1484,
1318,
1501,
1309,
1276,
1302,
1472,
437,
1597,
424,
2027,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 21 |
[C][S][C][C][=N][N][=C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][=Branch2][N][C][=N][N][=N][NH1][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring2][Ring1][N][NH1][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
420,
1666,
1757,
2635,
1599,
1324,
424,
1871,
1484,
1518,
1407,
2270,
1420,
1389,
1480,
442,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[C][=C][C][S][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1293,
1666,
1364,
1342,
2246,
1466,
1518,
1407,
1357,
1323,
1325,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1423,
2461,
1362,
1454,
1830,
2661,
1568,
442,
1410,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][=C][N][=C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][=N][S][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
2143,
2113,
1489,
2958,
2580,
1407,
1547,
1419,
1411,
433,
1996,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[C][S][=Branch1][C][=O][C][C][C][C][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
420,
1391,
1399,
1492,
2063,
1845,
1329,
1968,
1294,
440,
1372,
1287,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 15 |
[C][C][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][=C][=C][C][=N][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1349,
1459,
1502,
1303,
1275,
1532,
1344,
1791,
2400,
2450,
1379,
1305,
1652,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 15 |
[C][C][=N][NH1][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=O][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring1][C] | 0 | 0 | 0 | [
2,
1274,
1836,
1449,
1598,
1303,
1368,
1448,
1641,
1503,
1725,
422,
1278,
1411,
1328,
2013,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1713,
1399,
440,
1308,
424,
1819,
1484,
1711,
1939,
1467,
1408,
2949,
1597,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][=N][C][=C][O][Ring1][Branch1][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
1349,
1772,
1599,
2800,
1378,
1518,
1297,
2688,
1339,
426,
1276,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 14 |
[O][=C][Branch2][Branch1][O][C][C][Branch2][Ring2][=C][C][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][N][C][C][C][C][C][Ring2][Ring2][Ring2][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1306,
1307,
1304,
1305,
2301,
2364,
1862,
2919,
1289,
1540,
1996,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][#C][C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
2701,
2414,
1340,
1401,
1501,
2256,
1466,
1634,
423,
421,
1357,
1420,
1455,
421,
2655,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1274,
425,
1405,
1366,
2243,
1918,
1544,
1885,
1339,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 12 |
[C][C][=C][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1][Cl] | 0 | 0 | 0 | [
2,
2270,
1491,
2577,
1981,
1290,
2413,
429,
1821,
422,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 12 |
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Branch1][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][F][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][N][=C][C][=C][C][=C][Branch1][C][Br][N][Ring1][#Branch1][N][=Ring1][#Branch2][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1387,
1715,
1306,
1336,
425,
1522,
2114,
1368,
2034,
2679,
1286,
1323,
424,
2417,
1411,
1274,
1300,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][N][=C][Branch2][Branch1][N][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][P][S][C][=Ring2][Ring2][=Branch2][C] | 0 | 0 | 0 | [
2,
1274,
1315,
1306,
1285,
1416,
2915,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
1439,
1337,
1847,
434,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 21 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][C][Branch1][O][N][C][C][Branch1][C][O][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][=N][Ring2][Ring1][=Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1755,
424,
1819,
1476,
2519,
1557,
1353,
1830,
2661,
1568,
442,
1410,
1375,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1855,
1366,
2024,
441,
1528,
2253,
1659,
2998,
1480,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[O][=C][C][C][C][Branch2][=Branch1][=Branch2][N][C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=C][C][=C][C][=C][Ring2][Ring2][Branch1][C][Ring2][Ring2][Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring2][S] | 0 | 0 | 0 | [
2,
2668,
1313,
1487,
434,
1314,
1516,
1598,
1303,
1368,
1448,
1641,
2503,
2334,
1379,
1286,
1300,
1284,
2195,
430,
420,
1280,
1300,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 25 |
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
1643,
1576,
1416,
1686,
1579,
2439,
1501,
2256,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[N][#C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][S][C][Ring1][Ring2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
424,
1336,
1516,
1576,
1445,
3016,
1466,
1518,
1407,
2270,
1712,
1289,
1285,
1996,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2361,
1522,
1429,
1324,
2247,
1361,
1401,
1323,
1446,
1339,
436,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[C][#C][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][P][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][=N][C][Branch1][#C][N][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
1589,
2136,
1691,
2566,
429,
1329,
1383,
2523,
1524,
1810,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[C][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
1399,
1307,
1917,
1274,
2584,
2747,
2287,
1518,
1407,
1357,
1468,
1346,
1597,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 15 |
[C][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2200,
2631,
1492,
3003,
1544,
1470,
1339,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 10 |
[N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][N][N][C][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
424,
438,
2866,
1565,
1367,
2008,
2062,
1368,
1309,
1376,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 13 |
[O][=C][C][N][Branch2][Ring2][=N][C][C][C][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][C][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C][C][N][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
429,
1305,
424,
1542,
1313,
1358,
1401,
2229,
1383,
1338,
440,
1372,
1287,
1375,
1274,
424,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[C][C][=N][N][=C][Branch2][Branch1][=N][C][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][=N][Ring2][Ring1][#C][S][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
1274,
1757,
1861,
1313,
2547,
2418,
1484,
1303,
1368,
1497,
1278,
429,
1641,
1394,
433,
2195,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 18 |
[C][C][=C][C][=N][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1349,
1276,
1449,
1965,
2210,
1386,
1331,
1368,
1343,
2452,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 12 |
[O][=C][Branch2][Branch1][N][C][C@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][NH1][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1306,
1952,
423,
2742,
445,
421,
1405,
1340,
2902,
2681,
1277,
454,
2128,
1355,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[C][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][Br] | 0 | 0 | 0 | [
2,
1357,
1491,
2584,
2747,
2572,
2044,
1339,
1318,
1995,
443,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 12 |
[C][O][C][C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][#C][C][C][C][C][C][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1643,
2466,
1598,
1303,
1368,
1497,
1278,
429,
1641,
1371,
1614,
1301,
1362,
1294,
1394,
1547,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 19 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][=C][C@H1][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][=Branch2][C][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1275,
1400,
428,
2048,
1337,
1276,
1762,
1954,
2294,
1375,
420,
1413,
438,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 20 |
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][O][N][C][C@H1][C][C@H1][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2][C][C@H1][Ring1][=N][O][=N][C][Branch1][=C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch2][Cl] | 0 | 0 | 0 | [
2,
1349,
2661,
1483,
1927,
1952,
1674,
423,
1336,
1757,
1497,
1332,
2128,
1674,
422,
1523,
2569,
1463,
1287,
1394,
1959,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 23 |
[C][#C][C][=C][C][=C][Branch2][Branch1][=C][N][C][=N][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1831,
1286,
1948,
1492,
2957,
2287,
1518,
1407,
1357,
1468,
1346,
1536,
1327,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 16 |
[C][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch1][=Branch2][N][C][=N][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
1505,
1573,
2500,
2426,
1572,
2800,
1403,
420,
1490,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][=Branch1][C][N][C][C][=C][N][=C][N][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch1][=C][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=Branch2][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][P][=N][Ring2][Ring2][Branch1][C][=C][Ring2][Ring2][=N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
2320,
1615,
1315,
1573,
1364,
3012,
2400,
1869,
1375,
2282,
2486,
1652,
1327,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 21 |
[C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch1][O][N][C][C][C][S][C][C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][O][=N][Ring2][Ring1][#Branch2] | 0 | 1 | 0 | [
2,
420,
1324,
1669,
1429,
2349,
1530,
1544,
1593,
429,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
1,
0
] | 12 |
[C][=C][C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1396,
1458,
2005,
2428,
1766,
2238,
1305,
2145,
1504,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 11 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][Branch1][=N][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
1284,
451,
1325,
1415,
1488,
2077,
443,
2624,
2248,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 17 |
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1334,
1488,
1483,
1489,
1285,
1391,
1520,
1922,
438,
2276,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 12 |