Datasets:
HoangHa
/
belka-selfies-train-cls-ft-ids

Dataset card Viewer Files Community
1
SELFIES
stringlengths
139
644
BRD4
int64
0
1
HSA
int64
0
1
sEH
int64
0
1
input_ids
sequencelengths
7
46
token_type_ids
sequencelengths
7
46
attention_mask
sequencelengths
7
46
labels
sequencelengths
3
3
length
int64
7
46
[C][O][C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][#C][N][C][C][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][C][O][C][Ring2][Ring2][Ring1]
0
0
0
[ 2, 1330, 2635, 1951, 1757, 1895, 1361, 1428, 1470, 1339, 2379, 1995, 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][=C][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1365, 1473, 1538, 1416, 1540, 1722, 2192, 1310, 1344, 1418, 1323, 1567, 1455, 438, 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
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#C]
0
0
0
[ 2, 2668, 1311, 424, 435, 1293, 2284, 2578, 1575, 2451, 1931, 422, 1331, 1623, 1274, 422, 1318, 2146, 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][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][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][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][Branch1][C][C][O][Ring2][Ring2][N]
0
0
0
[ 2, 1715, 2463, 2712, 2272, 2739, 1466, 1518, 1407, 1357, 1323, 1325, 1394, 1526, 429, 1300, 424, 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][N][=C][Branch2][Branch1][=Branch2][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][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][S][S][Ring2][Ring2][Branch2]
0
0
0
[ 2, 2143, 1510, 1274, 1416, 2833, 1361, 1318, 2042, 1339, 433, 433, 2195, 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][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=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][Branch1]
0
0
0
[ 2, 1857, 2005, 2261, 1874, 1754, 1280, 423, 2227, 2045, 430, 1652, 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][=C][C][C@@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=N][N][C][=N][C][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Dy]
0
0
0
[ 2, 2668, 1306, 1305, 440, 1573, 1374, 1830, 2421, 1862, 1537, 1346, 1308, 1375, 1473, 1448, 1479, 424, 435, 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][Branch2][Ring2][#C][N][C][=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][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][O][C][Branch1][Ring1][C][O][=C][Ring2][Ring2][Ring2]
0
0
0
[ 2, 1357, 1500, 1631, 1407, 1547, 1419, 1851, 2097, 1811, 2559, 1844, 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][C][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][N][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][NH1][Ring1][#Branch2][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1547, 1543, 1359, 1640, 1345, 2564, 2601, 1636, 2948, 1541, 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][Branch1][C][Cl][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][=C][N][C][C][C][=C][Branch1][C][C][NH1][C][=Ring1][=Branch1][C][=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][=N][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 1357, 1501, 1493, 2531, 1373, 2297, 1484, 1318, 1501, 1309, 1276, 1302, 1472, 437, 1411, 1897, 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@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 2668, 1311, 424, 435, 441, 423, 438, 1319, 433, 1286, 2220, 1445, 1498, 1845, 1316, 1544, 2249, 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][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][S][N][C][C][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S]
0
0
0
[ 2, 1920, 1387, 1274, 1685, 2920, 1512, 1634, 423, 433, 1349, 1982, 1339, 433, 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][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F][=N][C][Branch1][S][N][C][C][Branch1][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch2][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1561, 1458, 1359, 2937, 1386, 1527, 2576, 1583, 1375, 2197, 439, 1290, 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][Branch2][Ring2][=N][C][N][C][=N][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=N][C][Branch1][=C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
0
0
[ 2, 1274, 1304, 1276, 1492, 2943, 1351, 1331, 441, 1463, 1287, 1375, 1495, 1470, 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][O][C][=C][C][=N][C][Branch1][C][Cl][=N][C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][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][C][=N][Ring2][Ring1][O][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C]
0
0
0
[ 2, 1423, 1603, 1276, 1500, 2272, 2360, 1290, 1351, 1939, 420, 1823, 422, 2324, 1294, 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][S][C][C][C][C][Ring1][Ring2][Branch1][C][O][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P]
0
0
0
[ 2, 2537, 2364, 1488, 1820, 2999, 1512, 1634, 423, 433, 1349, 1982, 1339, 439, 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][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 1423, 2461, 1362, 1608, 2270, 1288, 1417, 1361, 2444, 1325, 1339, 425, 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][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl][=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][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 424, 438, 1286, 1459, 1912, 1511, 1880, 1466, 1518, 1407, 2270, 1712, 1967, 1448, 1877, 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@@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Cl][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1604, 2041, 2332, 1682, 1383, 1993, 437, 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][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][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][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
0
0
0
[ 2, 1274, 2414, 1340, 2293, 1517, 428, 1466, 1518, 1407, 1473, 1309, 1430, 437, 1379, 2520, 2702, 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][Branch1][#Branch2][N][C][=C][C][=N][C][=N][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][Ring1][S][S][Branch1][C][N][=Branch1][C][=O][=O]
0
0
0
[ 2, 1274, 2375, 1445, 2948, 2287, 1634, 1283, 427, 1357, 1619, 1291, 1397, 1424, 433, 2689, 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][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 423, 2029, 1470, 1429, 1401, 2294, 1408, 2240, 1315, 1850, 1845, 1308, 1379, 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][=C][C][Branch2][Branch1][Ring1][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][Branch1][S][N][C][=N][C][Branch1][C][F][=C][C][Branch1][C][F][=N][Ring1][Branch2][=N][Ring2][Ring1][O][=N][NH1][Ring2][Ring1][P]
0
0
0
[ 2, 1482, 1293, 1449, 2114, 1368, 2034, 2676, 1647, 1301, 1435, 1356, 1618, 2486, 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][C][O][C@@H1][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=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][=C][C@@H1][Ring2][Ring2][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
0
0
0
[ 2, 420, 1285, 429, 440, 2307, 1912, 1863, 2675, 1275, 1532, 1344, 1791, 1379, 440, 2074, 2081, 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
[N][C][=Branch1][C][=O][C][=N][O][C][Branch2][=Branch1][O][C][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][P][=N][C][Branch2][Ring1][S][N][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][I][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#C][I][=N][Ring2][Ring2][=Branch2][C][Ring2][Ring2][S]
0
0
0
[ 2, 1576, 2409, 1487, 1294, 1927, 1429, 1521, 421, 2108, 1316, 2472, 2451, 1318, 1284, 451, 420, 1497, 1278, 2668, 1284, 451, 2090, 1295, 438, 451, 2011, 420, 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, 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, 1 ]
[ 0, 0, 0 ]
31
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=N][C][Branch1][#Branch1][N][C][C][C][C][F][=N][C][Branch2][Ring1][C][N][C][C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][=N][Ring2][Ring1][#Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1286, 1323, 2218, 2130, 3001, 1749, 1318, 1841, 1410, 1435, 1447, 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@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=N][C][Branch1][O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 1592, 1358, 1941, 1294, 1476, 1428, 1452, 1375, 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
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][=N][C][Branch1][O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][#Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 1473, 1388, 2699, 1376, 2557, 2300, 2056, 1476, 2240, 443, 1447, 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][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2][=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][Ring2][Ring2][#Branch1]
0
0
0
[ 2, 420, 1391, 1280, 1473, 1704, 2447, 2231, 1512, 1634, 423, 433, 1357, 1501, 1771, 1339, 433, 2276, 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][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=N][C][Branch1][S][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][O][C][Ring1][=Branch1][=N][Ring2][Ring1][O]
0
0
0
[ 2, 2668, 1311, 424, 435, 441, 423, 2029, 1284, 451, 1325, 1489, 1540, 2255, 1386, 1615, 1850, 1834, 1356, 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
[N][#C][C][C][=C][S][C][=Ring1][Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][Ring2][Ring1][Branch2]
0
0
0
[ 2, 424, 438, 2549, 2578, 1287, 1544, 2177, 1892, 1376, 1403, 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@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][P][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1457, 1543, 1909, 1616, 1399, 1316, 2303, 1885, 1513, 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][S][=Branch1][C][=O][C][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=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][C][Ring2][Ring2][Ring2]
0
0
0
[ 2, 420, 1391, 420, 2414, 1916, 2344, 1512, 1634, 423, 433, 1357, 1301, 2218, 1339, 421, 1313, 1996, 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][Branch2][=Branch1][O][C][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][P][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][=N][Ring2][Ring1][=N][N][Dy]
0
0
0
[ 2, 2668, 1487, 1294, 441, 423, 2030, 1448, 1568, 1366, 2469, 2336, 2675, 2976, 1289, 1385, 435, 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][S][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][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][C][=Ring2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
0
0
[ 2, 1274, 1337, 1510, 1274, 2161, 2235, 1406, 1941, 441, 1344, 1339, 433, 1276, 1847, 428, 1377, 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][O][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P]
0
0
0
[ 2, 1293, 1307, 2514, 2861, 1466, 1697, 421, 1357, 1869, 1339, 439, 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][S][C][Branch1][C][C][=C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=N][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring1][#C][C][=Ring2][Ring2][#Branch1][Br]
0
0
0
[ 2, 1274, 1337, 1425, 2378, 1341, 2558, 1836, 2103, 1408, 1342, 1302, 1369, 1499, 429, 2020, 1847, 431, 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
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring2][#Branch1]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 423, 1521, 437, 2001, 2844, 1544, 2810, 1719, 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@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][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][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][Ring2][Ring1][S]
0
0
0
[ 2, 2668, 1311, 424, 435, 440, 423, 2029, 1284, 451, 1325, 2374, 2938, 1671, 2769, 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 ]
[ 0, 0, 0 ]
17
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][=N][C][Branch1][=Branch2][N][C][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][N][C][C][O][C][C][Ring1][=Branch1]
0
0
0
[ 2, 1334, 1864, 420, 2578, 1287, 2660, 1712, 2151, 1720, 1279, 1467, 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][Branch2][Branch1][Branch2][C][C][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][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][S][Branch1][C][C][=O]
0
0
0
[ 2, 1274, 1496, 1274, 2374, 2938, 2572, 1309, 1430, 1339, 438, 1761, 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][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][O][C][C][S][C][Ring1][=Branch1][=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][#Branch2]
0
0
0
[ 2, 1387, 1384, 1451, 2586, 1337, 1308, 1361, 1518, 1326, 1357, 433, 1463, 1287, 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
[C][C][N][C][=Branch1][C][=O][C][C@H1][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C@H1][Ring2][Ring2][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
0
0
0
[ 2, 1274, 1576, 441, 2414, 1770, 2581, 1361, 1318, 1284, 451, 1525, 1339, 425, 441, 2082, 1558, 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][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#Branch1][N][C][C][S][S][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2]
0
0
0
[ 2, 1423, 2360, 2130, 2627, 1337, 1418, 1323, 1567, 1455, 434, 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][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][Branch2][Ring2][O][C][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S][C]
0
0
0
[ 2, 1755, 2138, 1332, 1304, 1294, 2332, 2996, 1544, 1593, 437, 2658, 1337, 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][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][C][Branch2][Ring1][=Branch2][N][C][=N][NH1][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=N][Ring1][#Branch2][=N][Ring2][Ring1][=C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O]
0
0
0
[ 2, 1423, 1516, 1364, 1317, 2956, 1484, 1653, 2520, 1275, 1448, 1291, 1465, 1379, 1756, 429, 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][C][=N][C][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#C][N][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][O][=C][Ring2][Ring2][C]
0
0
0
[ 2, 1621, 1276, 1549, 1340, 1428, 1452, 1287, 1383, 2523, 1524, 1810, 1823, 420, 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][O][C][=C][N][=C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=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][P][N][=C][Ring2][Ring2][Branch2]
0
0
0
[ 2, 2392, 1789, 1849, 2252, 1512, 1697, 433, 1357, 1501, 1771, 1339, 439, 1611, 428, 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][C][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=N][C][Branch1][S][N][C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 1828, 1971, 2724, 1386, 1367, 3019, 1379, 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][O][C][=C][C][=C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C]
0
0
0
[ 2, 2701, 2550, 2316, 1885, 1361, 1318, 1309, 1525, 1339, 436, 2494, 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][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][#C][N][C][=C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=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][N]
0
0
0
[ 2, 2408, 2631, 1364, 1428, 1645, 420, 1746, 1480, 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][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring2][P][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=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][N][C][C][Ring2][Ring2][Ring2]
0
0
0
[ 2, 1387, 441, 1274, 2525, 420, 1358, 1614, 2387, 1363, 1518, 1388, 1357, 1321, 1668, 1289, 1285, 1996, 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][=C][Branch2][Branch1][S][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=N][C][Branch2][Ring2][C][N][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][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 1831, 1286, 2150, 2048, 1288, 2680, 1276, 1304, 420, 1518, 1283, 431, 1319, 1301, 2343, 1301, 2969, 432, 2585, 2038, 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][Branch1][C][F][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][=N][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 1621, 1647, 1493, 2592, 2811, 1484, 1317, 1497, 1278, 429, 1570, 1641, 1411, 1897, 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][=O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][C][Branch1][C][F][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1703, 1496, 1454, 1498, 1674, 1451, 1917, 1349, 1808, 2129, 439, 1384, 2690, 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][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][=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]
0
0
0
[ 2, 1423, 2367, 1301, 1568, 2656, 1420, 1435, 1378, 1634, 1274, 440, 1368, 1343, 1375, 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][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=N][C][Branch1][P][N][C][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=C]
0
0
0
[ 2, 2143, 1885, 2455, 2984, 1361, 1518, 1302, 1399, 2058, 1379, 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][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=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][#C]
0
0
0
[ 2, 1621, 1478, 1325, 1820, 1470, 2326, 1363, 1279, 1587, 1394, 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][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1547, 1491, 2524, 1809, 2391, 1875, 1485, 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][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][N][=C][Ring2][Ring2][C]
0
0
0
[ 2, 1334, 1500, 1358, 1800, 2387, 1361, 2444, 1325, 1339, 429, 1611, 420, 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][Branch2][Ring1][N][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1293, 1925, 2194, 1711, 433, 1473, 2110, 2338, 1274, 1441, 438, 1353, 1941, 440, 1344, 1335, 1690, 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][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1]
0
0
0
[ 2, 1763, 2163, 2001, 1303, 1333, 1285, 2368, 425, 1363, 1941, 1343, 1290, 1719, 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][Branch1][O][N][C][=N][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][#C][=C][C][=C][Ring2][Ring2][=Branch1][Cl]
0
0
0
[ 2, 1274, 1276, 1704, 1492, 2943, 2155, 1303, 1368, 1468, 1791, 1394, 1882, 426, 437, 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][Cl][C][Branch2][Branch1][N][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][Branch2][Ring1][C][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][P][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1357, 1501, 1789, 1927, 1952, 1674, 423, 1336, 1757, 1497, 1332, 2128, 1674, 422, 1523, 1371, 1518, 1302, 1547, 1316, 1439, 2690, 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 ]
[ 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 ]
24
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][F]
0
0
0
[ 2, 2119, 1491, 1562, 1866, 1557, 1671, 1452, 441, 1343, 1339, 1318, 1995, 432, 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][O][C][=C][C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1423, 1514, 1415, 1715, 1316, 1286, 424, 1622, 2060, 1869, 2101, 1683, 434, 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][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][N][N][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=Branch2][=N][Ring2][Ring1][O]
0
0
0
[ 2, 1423, 2367, 1301, 1568, 1341, 1318, 2138, 2426, 2390, 1302, 1751, 1356, 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][Branch1][C][C][=C][Branch2][Ring2][#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][C][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=N][Ring2][Ring1][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1705, 1500, 2565, 1651, 1435, 1371, 2024, 1873, 1293, 1808, 2328, 434, 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][N][Branch2][Branch1][=Branch1][C][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=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][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O]
0
0
0
[ 2, 1274, 424, 1516, 1313, 1912, 1885, 420, 1972, 1497, 1278, 1495, 1343, 1339, 425, 1444, 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][S][C][Branch2][Branch1][=Branch2][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][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][S][=N][C][=Ring2][Ring2][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
0
0
0
[ 2, 2668, 1311, 424, 435, 1559, 1510, 2555, 3037, 3035, 1353, 1830, 2661, 1568, 442, 1410, 1424, 1276, 1847, 1277, 1661, 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][Ring1][N][C][=N][C][Branch1][O][N][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O][=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][#C][C][=C][Ring2][Ring2][=Branch1][O]
0
0
0
[ 2, 1554, 1449, 1429, 1401, 2008, 1512, 1697, 1678, 2587, 1399, 1372, 1287, 1394, 2446, 429, 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][S][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][=N][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 1274, 2651, 1374, 1830, 2248, 2522, 425, 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][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][#C][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][O][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][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=N][Ring2][Ring2][=Branch1]
0
0
0
[ 2, 1334, 1493, 1364, 2434, 1294, 1466, 1634, 1407, 1357, 1515, 2020, 1690, 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][N][=C][Branch1][C][O][C][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][O][=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][Ring2][C][=C][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 2143, 1488, 2091, 2714, 2858, 1656, 1318, 1388, 2699, 1286, 1419, 1290, 1322, 2038, 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][=Branch1][C][=O][C][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][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][=N]
0
0
0
[ 2, 1643, 1576, 2305, 2211, 2019, 1411, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
8
[C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][#Branch1][N][C][C][S][S][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][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1617, 1677, 2130, 2627, 1337, 2363, 1318, 2426, 2658, 2385, 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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P][Cl]
0
0
0
[ 2, 2668, 1311, 424, 435, 1286, 1491, 2447, 2257, 1386, 2230, 1771, 1355, 2619, 437, 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][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][=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][Ring1][=C]
0
0
0
[ 2, 2035, 2384, 1648, 2640, 1303, 1316, 1398, 1378, 1518, 1297, 1715, 458, 462, 1339, 421, 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][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][=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][P][=C][Branch1][C][C][O][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1349, 2378, 1354, 2355, 1275, 433, 1410, 1406, 1697, 1307, 1399, 1274, 1372, 1287, 1439, 421, 1288, 429, 2027, 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
[N][#C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=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][O][=C][C][=C][Ring2][Ring2][C][Cl]
0
0
0
[ 2, 424, 438, 1293, 1500, 1364, 3012, 1371, 1279, 1302, 1547, 1344, 1356, 1882, 420, 437, 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][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][N][=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][=Branch2][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1613, 1500, 1489, 2836, 2508, 2342, 1541, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
9
[C][S][S][C][C][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][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S]
0
0
0
[ 2, 2626, 1666, 2305, 2211, 1466, 1434, 2566, 1325, 1674, 1419, 1339, 433, 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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][Branch1][Cl]
0
0
0
[ 2, 1349, 2661, 1500, 2592, 2811, 1361, 1518, 1326, 1357, 429, 1463, 1287, 1356, 2665, 437, 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][Ring2][C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][=C][N][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=N][C][Branch2][Ring1][Ring2][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy]
0
0
0
[ 2, 1602, 1491, 2531, 2595, 2580, 1495, 2118, 444, 2415, 1485, 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][=N][C][Branch1][C][C][=N][C][Branch2][Branch1][O][N][C][=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][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][Ring2][C][=N][Ring2][Ring2][#Branch2]
0
0
0
[ 2, 2311, 1288, 1276, 1704, 1598, 2822, 1361, 1634, 1326, 1399, 1274, 1463, 1287, 1597, 2193, 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][S][C][Branch1][C][C][=C][Branch2][Branch1][=C][C][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][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=Ring2][Ring2][#Branch2][Br]
0
0
0
[ 2, 1274, 1337, 1425, 1306, 1305, 1927, 2607, 1288, 440, 1312, 1274, 2351, 1544, 1885, 1290, 2527, 1847, 436, 443, 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][O][C][Branch2][Branch1][N][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][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][S][C][C][C][O][C][Ring1][Branch1]
0
0
0
[ 2, 1330, 2485, 2402, 1465, 1408, 1279, 1302, 1274, 1377, 1724, 1424, 2564, 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][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][=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][Ring2][#Branch1]
0
0
0
[ 2, 1349, 2097, 2116, 425, 1787, 1639, 1765, 1512, 1697, 1678, 2587, 1399, 1372, 1287, 1719, 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][C][C][C][Branch2][Ring2][S][C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][C][Branch1][Ring1][C][O][C][C][C][=C][C][Ring1][Branch2][C][Ring1][Branch1][=N][Ring2][Ring1][O][C][C][Ring2][Ring2][Ring1]
0
0
1
[ 2, 2668, 1311, 424, 435, 1399, 2405, 1951, 1583, 1274, 1616, 1749, 2790, 1289, 1307, 1995, 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][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=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, 420, 1431, 1286, 1816, 2579, 2347, 1544, 1470, 1339, 438, 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][C][=C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][N][C][C][O][C][C][Ring1][=Branch1]
0
0
0
[ 2, 1334, 2465, 1416, 1736, 2908, 1406, 1453, 1307, 2112, 1287, 1424, 2140, 420, 1467, 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@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring2][Ring1][Branch2]
0
0
0
[ 2, 1589, 1912, 2118, 2413, 429, 1403, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 1, 1, 1, 1, 1, 1, 1 ]
[ 0, 0, 0 ]
8
[O][=C][Branch2][Branch1][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][Ring2][Ring1][#C][N][Dy]
0
0
0
[ 2, 2668, 1306, 1952, 1715, 1463, 2185, 1387, 1687, 1773, 2990, 1394, 424, 435, 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][C][=N][C][=C][Branch2][Branch1][=Branch2][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][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][=Branch2]
0
0
0
[ 2, 1747, 1510, 1997, 1632, 2014, 1937, 2941, 1289, 1570, 2011, 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][Ring2][N][C][C][N][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][C][Branch2][Ring2][C][N][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][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][O][C][=C][C][=N][O][Ring1][Branch1]
0
0
0
[ 2, 2668, 428, 431, 427, 1285, 2187, 1931, 422, 1331, 1623, 1274, 422, 1318, 2146, 1276, 1304, 420, 1518, 1283, 431, 1319, 1301, 2343, 1301, 2969, 432, 1290, 2495, 2917, 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, 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, 1 ]
[ 0, 0, 0 ]
31
[C][C][=C][C][=C][Branch2][Branch1][=C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=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][Ring2][C][C][Branch1][C][Cl][=N][Ring2][Ring2][O]
0
0
0
[ 2, 1759, 1305, 1454, 1563, 2110, 1896, 2086, 1466, 1518, 1407, 1286, 1863, 2527, 1309, 2495, 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][C][C][C@@H1][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][=N][Ring2][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Dy]
0
0
0
[ 2, 2668, 1487, 1274, 440, 1481, 1416, 1736, 2823, 2365, 1310, 1289, 1342, 1309, 1430, 424, 435, 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][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][O][=C][C][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1]
0
0
0
[ 2, 1633, 2638, 1500, 1489, 423, 2233, 1688, 1371, 1634, 2460, 1302, 2232, 1356, 1882, 420, 2082, 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][=C][Branch2][Branch1][S][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][Branch1][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][O][=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][Ring2][Ring1][S][C][=Ring2][Ring2][O][C]
0
0
0
[ 2, 1274, 1315, 1306, 1666, 1454, 2916, 1484, 1518, 1407, 2270, 1420, 1389, 1490, 1337, 1847, 1294, 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][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][Branch2][C][=N][C][Branch1][#C][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O][S][Ring2][Ring1][P]
0
0
0
[ 2, 1274, 1757, 1500, 1878, 2300, 1633, 1950, 1383, 1331, 441, 1528, 1287, 1356, 433, 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, 0 ]
17