SELFIES
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[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Branch1][O][C][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][N][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][S][C][Ring2][Ring2][O][=O] | 0 | 0 | 0 | [
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[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][NH1][N][=Ring2][Ring2][C] | 0 | 0 | 0 | [
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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][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][#C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][S][Ring1][S][=N][C][Branch1][#C][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][S][C][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1554,
1315,
1789,
1298,
438,
1354,
1286,
2278,
1398,
1560,
2166,
1383,
1634,
1313,
440,
1463,
1287,
1439,
1337,
2111,
2505,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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,
1,
1,
1,
1
] | [
0,
0,
0
] | 23 |
[C][C][Branch1][C][C][C][C][Branch2][Branch1][N][C][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch2] | 0 | 0 | 0 | [
2,
1890,
1306,
1285,
1366,
2962,
1656,
1634,
423,
2030,
1448,
1568,
1339,
1337,
1280,
2471,
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][=Branch1][C][=O][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][N][=N][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1613,
1516,
1502,
1331,
2310,
2695,
1410,
2109,
1695,
1769,
1600,
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 |
[N][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][F][C][C][O][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][Branch1][C][F][C][C][O][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring1][P] | 0 | 0 | 0 | [
2,
424,
438,
1286,
1772,
1610,
2932,
2141,
2932,
2605,
1302,
1966,
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][Branch1][C][F][=C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][C][=C][NH1][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][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
1349,
1647,
1516,
2048,
3019,
1466,
1518,
1407,
1286,
1863,
1424,
1877,
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][Branch1][C][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1293,
1921,
1341,
1428,
2362,
1465,
1371,
1279,
1302,
1785,
1344,
1480,
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 |
[N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][C][Branch1][C][Cl][=N][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][P] | 0 | 0 | 0 | [
2,
424,
438,
1687,
1354,
2444,
1311,
420,
430,
2188,
1465,
1484,
1697,
438,
1319,
433,
1286,
1568,
1372,
1287,
1439,
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][Branch1][Ring1][N][Dy][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][=C][C][=C][C][O][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1297,
2688,
1366,
1401,
2345,
1659,
2311,
1637,
1355,
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 |
[N][#C][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][Cl] | 0 | 0 | 0 | [
2,
424,
438,
1293,
1449,
1916,
2344,
1972,
1302,
1337,
1660,
422,
1622,
1411,
1882,
427,
437,
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][N][=C][Branch2][=Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][Ring2][C][=N][Ring2][Ring2][N] | 0 | 0 | 0 | [
2,
2392,
1487,
1277,
2482,
2729,
1466,
1518,
1407,
1357,
1470,
1536,
420,
1322,
424,
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@@H1][C][C][C][C][N][Ring1][=Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][=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][Ring2][Ring1][P] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1399,
424,
1372,
1361,
1331,
2126,
2063,
1918,
1466,
2302,
1464,
1616,
1765,
1439,
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][=C][N][=C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][C][S][Ring2][Ring2][=Branch2] | 0 | 0 | 0 | [
2,
2143,
2485,
1354,
1906,
1707,
1973,
1466,
1634,
1407,
1357,
1470,
1597,
433,
2027,
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][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][=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][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1274,
1275,
1493,
1359,
2242,
1907,
1350,
2232,
1544,
1470,
1339,
421,
2144,
1332,
2296,
431,
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][N][N][=C][C][=C][Ring1][Branch1][C][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][C][=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][C][Branch1][=N][N][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
1633,
1315,
1669,
1498,
1451,
441,
1372,
1624,
2949,
2141,
440,
1557,
1339,
436,
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][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=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][Ring2][Ring1][=C][Branch1][C][C][O][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1349,
2571,
1454,
1754,
1782,
1408,
1634,
1407,
1473,
1309,
1430,
1490,
421,
1288,
429,
1300,
429,
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][Branch2][=Branch1][Ring1][C][N][C][=N][C][Branch2][Ring1][N][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1][C][C][C][Ring2][Ring2][=N] | 0 | 0 | 0 | [
2,
1330,
1487,
2013,
2194,
2736,
1972,
1497,
1278,
1495,
1343,
1290,
1719,
1313,
1300,
425,
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][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][C][N][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][F] | 0 | 0 | 0 | [
2,
420,
1787,
1493,
1354,
1318,
2137,
2079,
1749,
1425,
2595,
1810,
1379,
2665,
432,
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][S][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][P][=N][C][=Ring2][Ring2][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1559,
1483,
1927,
3017,
2491,
1658,
1439,
1276,
1847,
431,
1437,
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][N][C][C][Branch2][Branch1][#Branch2][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][#Branch1][=O] | 0 | 0 | 0 | [
2,
420,
1285,
1538,
1274,
2161,
2235,
1773,
1469,
1309,
1455,
1694,
2111,
430,
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][Ring1][N][Dy][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
2177,
1293,
1769,
1354,
1563,
1345,
1318,
2245,
1376,
2508,
2342,
1379,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1293,
1564,
1514,
2402,
1369,
1476,
1434,
1276,
1622,
1355,
1384,
2411,
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][=C][C][O][C][Branch2][Branch1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring1][#Branch2][=N][Ring2][Ring1][=N][=N][C][Ring2][Ring2][=Branch2][=Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
2270,
1294,
1516,
1274,
1359,
1664,
1307,
2257,
1371,
1812,
1302,
1465,
1411,
1276,
2027,
1847,
423,
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][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][#C][N][C][=C][C][=N][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1396,
1481,
1997,
1632,
2014,
2152,
1299,
427,
1307,
1479,
1485,
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][S][C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
1293,
1666,
1770,
1326,
2112,
1888,
1887,
1929,
1389,
1339,
433,
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][Branch2][Branch1][P][C][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][F][C][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][#Branch2][N][Dy] | 0 | 0 | 0 | [
2,
2668,
2091,
1674,
423,
433,
1357,
1501,
1771,
1610,
2932,
1544,
2810,
1355,
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][N][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
420,
1318,
2308,
420,
2395,
1364,
1317,
2956,
1418,
1301,
1293,
1323,
1389,
1339,
425,
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][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][=N][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
1858,
2001,
2874,
1874,
1754,
1280,
423,
2227,
2045,
430,
1322,
421,
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][=N][C][C@@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring2][C][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1487,
1276,
440,
423,
1521,
437,
2479,
1755,
1606,
2729,
1597,
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][C][=C][C][Branch2][=Branch1][Ring2][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][=N][Ring2][Ring2][#Branch1][=C][Ring2][Ring2][=C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
2270,
2196,
1624,
3028,
1606,
2820,
1719,
1328,
2568,
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][#C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][=N][C][Branch1][=N][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][N][Dy] | 0 | 0 | 0 | [
2,
2668,
1306,
1336,
440,
423,
2029,
1515,
2555,
3037,
3035,
2624,
2248,
1356,
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][S][C][=N][C][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][=N][Ring2][Ring1][P][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][N] | 0 | 0 | 0 | [
2,
1747,
1538,
2374,
2938,
1408,
1338,
2929,
1439,
2090,
1322,
424,
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][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][Ring2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][Branch1][C][C][NH1][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1349,
2414,
1820,
2177,
1892,
1376,
1363,
1518,
1388,
1357,
1321,
1668,
1394,
421,
1288,
442,
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][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
2520,
1525,
1415,
1324,
1319,
1992,
2258,
2439,
3025,
1480,
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][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][C][Branch2][Ring1][O][N][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C] | 0 | 0 | 0 | [
2,
1681,
1405,
2708,
2063,
1803,
428,
1656,
1318,
1388,
2699,
1286,
1419,
1339,
438,
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][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][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][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][O] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
1286,
1405,
1346,
2602,
2223,
429,
1937,
2941,
1356,
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][C][C][N][Branch2][Branch1][O][C][C][=C][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][N][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][N][=C][Ring2][Ring1][P][C][C][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
1274,
2381,
1306,
1456,
1275,
1514,
2672,
1425,
1553,
1363,
1518,
1388,
1357,
1321,
1668,
1355,
1315,
2486,
1274,
2195,
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 |
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1][C] | 0 | 0 | 0 | [
2,
1755,
2138,
1332,
2466,
2514,
1872,
1320,
1286,
1344,
429,
1418,
1323,
1275,
1657,
443,
2050,
431,
420,
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][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][S][C][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][=C][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
1621,
1647,
1459,
1492,
1390,
1431,
1313,
1337,
1329,
1406,
1941,
440,
1344,
1339,
421,
2655,
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][C][C][C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=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][P][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1890,
2571,
2514,
2941,
1466,
1518,
1407,
1357,
1323,
1325,
1439,
420,
1320,
429,
1300,
429,
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@@H1][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][N][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1457,
1772,
2672,
1425,
1553,
2491,
1658,
1854,
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][O][C][=C][C][=N][C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][P][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
2498,
1481,
1820,
1470,
1290,
1689,
1337,
1425,
1517,
431,
1392,
1821,
422,
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][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=N][Ring2][Ring1][N][=C][C][=N][Ring2][Ring2][Ring1] | 0 | 0 | 0 | [
2,
1561,
1491,
1820,
1470,
1290,
2574,
1294,
1289,
1438,
1490,
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@@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C][N][=N][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1310,
2223,
1318,
2414,
1340,
2214,
1466,
1518,
1407,
1357,
1515,
1379,
424,
1652,
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][Branch2][Ring2][=C][C][C][N][C][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | 0 | 0 | 0 | [
2,
2668,
1514,
1274,
1358,
2444,
1880,
1689,
1302,
2538,
1375,
2381,
1326,
1473,
1622,
1969,
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][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][F][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=C][C][C][C][C][O][C][Ring1][=Branch1] | 0 | 0 | 0 | [
2,
1330,
2375,
1454,
1574,
1302,
1376,
432,
1829,
1425,
1325,
1381,
1379,
1399,
1834,
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][Branch1][Ring2][C][C][=C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][P][N][C][C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1602,
1459,
2315,
1444,
1406,
1891,
2477,
1485,
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][O][C][=C][C][=C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
2701,
2485,
1997,
1632,
2014,
1972,
1302,
1337,
1660,
422,
1622,
1424,
1877,
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][C][N][=C][Branch2][Branch1][#C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=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][Ring2][Ring1][S][C][=Ring2][Ring2][#Branch2][C][Ring2][Ring2][=C] | 0 | 0 | 0 | [
2,
1547,
1315,
1306,
1336,
1502,
2731,
1408,
1634,
1407,
1473,
1309,
1430,
1490,
1337,
1847,
2415,
1300,
421,
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][=C][C][Branch2][Branch1][Ring2][O][C][C][C][N][C][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][#Branch1][C] | 0 | 0 | 0 | [
2,
2270,
1459,
1925,
1364,
2106,
2104,
1637,
1361,
1634,
1407,
1286,
1530,
2268,
420,
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][=N][N][=C][Branch2][Branch1][S][N][C][=N][C][Branch2][Ring1][P][N][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][O][Ring2][Ring2][#Branch2] | 0 | 0 | 0 | [
2,
1274,
1757,
2150,
2001,
2135,
1506,
1410,
1332,
1378,
1518,
1297,
1715,
458,
462,
1290,
1536,
429,
2471,
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@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
1589,
1624,
3028,
2060,
1869,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 8 |
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=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][Ring1][P] | 0 | 0 | 0 | [
2,
1274,
1276,
1478,
1325,
1429,
1401,
1816,
2287,
1634,
1283,
427,
1357,
1619,
1291,
1397,
1439,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][C][C][C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][S][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][P] | 0 | 0 | 1 | [
2,
2668,
1311,
424,
435,
1399,
1304,
1279,
1445,
3016,
1361,
1401,
2347,
1375,
1274,
2486,
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,
1
] | 17 |
[C][O][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][=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][Ring1][S] | 1 | 0 | 0 | [
2,
1310,
2520,
1315,
1446,
1359,
1664,
2895,
1406,
1634,
1962,
1399,
1274,
1372,
1287,
1424,
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
] | [
1,
0,
0
] | 17 |
[C][N][C][C][Branch2][Branch1][Ring1][C][C][N][C][=N][C][Branch1][S][N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][C][C][Ring2][Ring2][Ring1][=O] | 0 | 0 | 0 | [
2,
420,
1285,
1449,
1274,
2557,
2322,
2572,
1309,
1430,
1339,
1307,
1995,
430,
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][C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][#C][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][C][C][Branch1][C][C][O] | 0 | 0 | 0 | [
2,
1274,
1276,
1304,
1279,
1951,
1583,
1274,
1616,
1383,
1634,
1313,
440,
1463,
1287,
1355,
1882,
1526,
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][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch2][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=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][Ring2][Ring2][S][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
1482,
420,
1757,
1487,
1274,
1502,
2731,
1512,
1697,
433,
1357,
1301,
2218,
1290,
1536,
433,
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 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][C][Branch1][O][N][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O][=N][Ring2][Ring1][#Branch2] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
440,
1715,
1463,
2504,
1833,
2772,
1954,
2008,
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][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][=Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][N][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][Ring2][Ring2][=Branch2][=C][Ring2][Ring2][S] | 0 | 0 | 0 | [
2,
1920,
1473,
1487,
426,
2194,
2736,
1656,
1366,
1286,
1593,
1560,
422,
438,
2011,
1328,
433,
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][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][S][Branch1][C][C][=O] | 0 | 0 | 0 | [
2,
1274,
2465,
1415,
1623,
1748,
1466,
1518,
1407,
1357,
1470,
1424,
1761,
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][Branch2][Ring1][Ring2][N][C][C][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1396,
1458,
1354,
2349,
1917,
1755,
1659,
2894,
1684,
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][=C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][N][N][C][=C][C][Branch1][C][C][=N][O][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][=Branch2][=N][C][=N][Ring2][Ring1][S] | 0 | 0 | 0 | [
2,
1349,
1542,
1565,
1317,
1288,
2457,
1361,
1318,
2042,
1339,
434,
1276,
1424,
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][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][=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][C][=C][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
1831,
1655,
1284,
2656,
1420,
1435,
1466,
1518,
1407,
1357,
1323,
1325,
1379,
2446,
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][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][Branch2][N][C][=N][C][Branch2][Ring1][P][N][C][C][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][=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][Ring2][#Branch2][=C][Ring2][Branch1][C] | 0 | 0 | 0 | [
2,
1508,
1286,
1488,
1487,
428,
2001,
2844,
1466,
1634,
1407,
1357,
1323,
1325,
2193,
421,
427,
1284,
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][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][#C] | 0 | 0 | 0 | [
2,
1642,
1861,
2374,
2938,
1512,
1764,
1331,
2259,
1536,
1328,
438,
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][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=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][#C][=C][C][=N][Ring2][Ring2][=Branch1] | 0 | 0 | 0 | [
2,
1423,
1789,
1624,
2740,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
1394,
1305,
1690,
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][Branch1][Ring1][C][#N][=C][Branch2][Branch1][N][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][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][#C][S][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
1349,
2367,
1789,
1598,
1303,
1368,
1497,
1278,
429,
1641,
1363,
1614,
2353,
1394,
433,
2111,
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][N][=C][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][Ring2][Ring2][#Branch1] | 0 | 0 | 0 | [
2,
2630,
1496,
2557,
2322,
1512,
1697,
1678,
2587,
1399,
1372,
1287,
1424,
2276,
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][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2][F] | 0 | 0 | 0 | [
2,
420,
1787,
1449,
1366,
2962,
2283,
425,
2162,
432,
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][O][C][=C][C][=C][Branch2][=Branch1][Ring1][C@H1][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][O][N][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=N][Ring1][Branch2][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][O] | 0 | 0 | 0 | [
2,
2180,
422,
441,
1510,
1927,
2607,
1288,
440,
1312,
1274,
2351,
1862,
1323,
1384,
1435,
2594,
429,
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@@][Branch1][C][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][O][C][=N][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy] | 0 | 0 | 0 | [
2,
1591,
1573,
1445,
2523,
1577,
2298,
1323,
1525,
1870,
1596,
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][Branch1][C][F][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=N][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=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][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1349,
1647,
1449,
2087,
2707,
1308,
2675,
1275,
1532,
1344,
1791,
1411,
1897,
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][N][Branch1][C][C][C][=N][C][=C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch1][S][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][N][Ring2][Ring2][Branch2] | 0 | 0 | 0 | [
2,
1274,
1385,
1332,
1433,
2378,
1685,
2317,
1350,
1512,
1634,
423,
433,
1357,
1501,
1771,
1339,
433,
1327,
424,
2195,
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 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][O][C] | 0 | 0 | 0 | [
2,
1554,
1538,
1927,
2876,
1735,
1882,
2582,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | [
0,
0,
0
] | 9 |
[C][O][C][=C][C][Branch2][Ring2][O][N][C][=N][C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][=N][Ring2][Ring1][#Branch2][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][Branch1][O][C] | 0 | 0 | 0 | [
2,
1423,
1543,
1958,
1285,
1917,
2058,
2574,
1392,
1355,
1804,
2582,
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][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][N][C][=N][C][Branch1][P][N][C][C][N][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][S][Ring2][Ring2][C] | 0 | 0 | 0 | [
2,
1621,
1481,
1492,
1790,
1451,
1312,
1361,
1634,
1326,
1399,
1274,
1463,
1287,
2101,
433,
2445,
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][=C][Branch1][C][C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][P][N][C][C][N][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][#Branch1][=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][=N][Ring2][Ring2][Branch1] | 0 | 0 | 0 | [
2,
1357,
1332,
2321,
1492,
1790,
1451,
1312,
1544,
1885,
1339,
424,
1652,
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@H1][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][N][C][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][=N] | 0 | 0 | 0 | [
2,
2668,
1311,
424,
435,
441,
1283,
431,
1319,
1301,
2343,
1301,
2969,
432,
2458,
2837,
1363,
1338,
3037,
3035,
1411,
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 |
[C][C][Branch2][Ring2][Branch1][C][C][C][C][N][C][=N][C][Branch1][=Branch2][N][C][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][=N][Ring2][Ring1][Ring2][O][C][C][O][Ring2][Ring1][=C] | 0 | 0 | 0 | [
2,
1274,
1304,
1288,
1274,
2578,
1287,
2540,
2031,
448,
2151,
1307,
429,
1413,
421,
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][Branch1][C][C][Branch1][Branch1][C][C][C][#N][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=N][C][Branch2][Ring1][N][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring2][Ring2] | 0 | 0 | 0 | [
2,
1526,
423,
1332,
448,
420,
1502,
1303,
2239,
2155,
1518,
1407,
1357,
1448,
1568,
1536,
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][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][=N][C][Branch2][Ring1][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][N] | 0 | 0 | 0 | [
2,
1279,
1464,
2431,
2461,
2454,
1371,
1279,
1302,
1547,
1344,
1480,
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][N][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=O][=N][C][Branch1][=C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P] | 0 | 0 | 0 | [
2,
2630,
1514,
1341,
1664,
2244,
2569,
1463,
1287,
2456,
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 |