SELFIES
stringlengths
149
675
molecule_smiles
stringlengths
38
142
input_ids
sequencelengths
7
48
token_type_ids
sequencelengths
7
48
special_tokens_mask
sequencelengths
7
48
attention_mask
sequencelengths
7
48
length
int64
7
48
[C][C][=C][N][=C][Branch1][C][O][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][N][N][C][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1]
Cc1cnc(O)c(Nc2nc(NCc3ccc[nH]c3=O)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(C#N)cc3)n2)c1
[ 2, 2143, 1488, 1449, 1565, 1367, 2008, 1484, 1634, 1407, 1357, 1863, 2050, 431, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][N][Branch1][C][C][C][Branch2][Ring2][=N][C][N][C][=N][C][Branch1][S][N][C][C][=C][N][=C][N][Ring1][Branch1][C][C][O][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][O][C][=C][C][=C][O][Ring1][Branch1]
CN(C)C(CNc1nc(NCc2cnc3n2CCOC3)nc(N[C@H]2CCC[C@@H]2C(=O)N[Dy])n1)c1ccco1
[ 2, 1633, 1332, 1304, 1276, 1340, 1615, 1850, 1834, 1383, 1634, 1313, 440, 1463, 1287, 1356, 2357, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1]
CS(=O)(=O)Nc1cccc(Nc2nc(Nc3ccc(Br)c(C(=O)N[Dy])c3)nc(Nc3cccnc3[N+](=O)[O-])n2)c1
[ 2, 420, 1391, 1280, 1473, 1481, 2114, 2003, 1302, 1376, 1659, 1414, 1381, 1821, 422, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][N][Ring1][=Branch2][C][=N][C][Branch1][O][N][C][C][C][=C][S][C][=Ring1][Branch1][Br][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][#Branch2]
C[C@@]1(C(=O)N[Dy])CCCN1c1nc(NCc2ccsc2Br)nc(Nc2ccc(-c3cnco3)cc2)n1
[ 2, 2096, 1476, 2350, 1682, 443, 1544, 1345, 2756, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[O][=C][Branch1][Ring1][N][Dy][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch2]
O=C(N[Dy])c1nc(Cl)ccc1Nc1nc(NCc2nc3c(s2)CCCC3)nc(Nc2ncc(Cl)cc2F)n1
[ 2, 2668, 1311, 424, 435, 420, 1276, 1478, 1325, 2547, 2418, 2060, 2241, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][#Branch2][S][Ring2][Ring2][C]
Cc1cc(C#N)c(Nc2nc(NCc3ccc(C)n3C)nc(N[C@H](C(=O)N[Dy])c3ccsc3)n2)s1
[ 2, 1349, 2367, 1514, 1916, 2507, 1372, 1371, 1667, 2549, 1355, 433, 2445, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][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][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]
O=C(N[Dy])c1ccc(Cl)cc1Nc1nc(Nc2ccc3c(c2)oc2ccccc23)nc(Nc2cc(Cl)c([N+](=O)[O-])cn2)n1
[ 2, 2668, 1311, 424, 435, 2716, 1624, 3028, 1363, 1614, 2353, 1394, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][N][C][C@H1][Branch2][Ring2][P][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][S][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#Branch2]
CC(=O)c1ccc(C[C@H](Nc2nc(NCc3nnc(C4CCOC4)[nH]3)nc(NCc3ncccc3N(C)C)n2)C(=O)N[Dy])cc1
[ 2, 1703, 2485, 2525, 1359, 1640, 1345, 2564, 2601, 2517, 1405, 1680, 2529, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][C][C][C][N][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][C][Cl][=C][Ring1][O][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][=N][Ring2][Ring1][N][S][C][=Ring2][Ring2][Ring1][C][Ring2][Ring2][#Branch1]
CC1CCc2nc(CNc3nc(Nc4ccc(C(=O)N[Dy])c(Cl)c4)nc(Nc4ccc(F)cc4C#N)n3)sc2C1
[ 2, 1547, 1315, 2321, 2114, 1368, 1309, 1376, 2365, 1392, 1480, 1337, 450, 2146, 2111, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][C][C][Branch1][C][C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy]
CCC(C)C(Nc1nc(NCc2cc(=O)nc[nH]2)nc(NCC(c2cccs2)N2CCOCC2)n1)C(=O)N[Dy]
[ 2, 1620, 1458, 1358, 2887, 2358, 1345, 1286, 1530, 1467, 1507, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
12
[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2][=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][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy]
C[C@@H](OCc1ccccc1)[C@H](Nc1nc(NCC2CCC(C(F)F)CC2)nc(NCC2(c3ccc4c(c3)OCO4)CCCCC2)n1)C(=O)N[Dy]
[ 2, 2496, 1861, 1878, 2973, 2155, 1711, 433, 1473, 2110, 2338, 1274, 1441, 438, 2004, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][N][N][=N][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][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][=N][Ring2][Ring2][Branch1]
Cn1nnc(Nc2nc(Nc3cccc(S(C)(=O)=O)c3)nc(Nc3cccc(C(=O)N[Dy])c3C(=O)O)n2)n1
[ 2, 1633, 424, 1276, 1538, 2536, 1545, 1369, 1408, 1342, 1302, 1369, 1499, 429, 1394, 1652, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][O][C][=C][C][=N][C][Branch1][C][Cl][=N][C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N][=N][C][Branch1][S][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][#Branch2][O][C]
COc1cc2nc(Cl)nc(Nc3nc(Nc4nc(-c5ccccc5Cl)cs4)nc(Nc4cnccc4C(=O)N[Dy])n3)c2cc1OC
[ 2, 1423, 1603, 1276, 1481, 1354, 2355, 437, 1989, 1386, 1428, 1452, 1287, 1998, 426, 2038, 1294, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][C][=N][N][=C][Branch2][Branch1][Ring2][C][C][C][N][C][=N][C][Branch1][O][N][C][C][S][N][=C][C][=Ring1][Branch1][Br][=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][=N][S][Ring2][Ring2][=Branch1]
Cc1nnc(CCCNc2nc(NCc3sncc3Br)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(Br)cc3)n2)s1
[ 2, 1274, 1757, 1459, 1313, 2653, 1438, 1402, 443, 1466, 1634, 1407, 1357, 1323, 1325, 1411, 433, 2074, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
19
[C][O][C][Branch1][Ring1][O][C][C][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][Ring2][Ring2][=Branch1]
COC1(OC)CC(CNc2nc(Nc3nc(Cl)c4[nH]cnc4n3)nc(Nc3c(Cl)cc(Cl)nc3C(=O)N[Dy])n2)C1
[ 2, 1330, 1360, 420, 2375, 1341, 2444, 2104, 2103, 1418, 1309, 2520, 1625, 1339, 1305, 2074, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][O][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring2][C]
COC(=O)c1cc(Nc2nc(Nc3cc(N4CCCC4)ccn3)nc(Nc3cccnc3C(=O)N[Dy])n2)ccc1C
[ 2, 1621, 1458, 2272, 2238, 1305, 2145, 1862, 1321, 1668, 1411, 1882, 427, 420, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][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][Ring1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C]
Cc1cc([N+](=O)[O-])c(Cl)cc1Nc1nc(NCc2ccc3c(c2)CC(=O)N3C)nc(Nc2ccc(Cl)nc2C(=O)N[Dy])n1
[ 2, 1349, 1448, 1649, 1346, 1454, 1563, 2110, 1896, 2086, 1544, 1885, 1339, 438, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][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][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][#Branch1]
Cc1cc([N+](=O)[O-])c(Cl)cc1Nc1nc(NCc2ccccc2CS(=O)(=O)N2CCOCC2)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(Br)cc2)n1
[ 2, 1349, 1448, 1649, 1346, 1927, 3017, 1466, 1518, 1407, 1357, 1323, 1325, 1719, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][O][Ring1][=Branch2][=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][Ring2][Ring1][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch2]
Cc1cc(C)c(Nc2nc(NCc3cc(C(F)(F)F)co3)nc(NCC3CCC(C(=O)N(C)C)O3)n2)c(C(=O)N[Dy])c1
[ 2, 1705, 1496, 1971, 2250, 1809, 1406, 1540, 1722, 2192, 1310, 1344, 2328, 434, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][N][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C]
COC(=O)c1cc(OC)c(OC)cc1Nc1nc(NCC2CCCC2)nc(Nc2c(C(=O)N[Dy])cnn2-c2ccc(F)cc2)n1
[ 2, 1621, 1382, 1956, 1445, 2265, 2155, 1318, 1368, 1385, 1343, 1286, 1515, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][#C][C][C@H1][Branch2][Ring2][#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][Branch1][=C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy]
C#CC[C@H](Nc1nc(NCc2noc3ccc(F)cc23)nc(Nc2cc(OC)ccn2)n1)C(=O)N[Dy]
[ 2, 1788, 438, 2161, 2235, 1351, 1552, 1293, 1435, 1504, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[O][=C][C][C][C@@H1][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][N][Ring2][Ring2][#Branch1]
O=C1CC[C@@H](CNc2nc(NCCCNC(=O)c3ccc(F)cc3)nc(Nc3ccc(Cl)cc3C(=O)N[Dy])n2)N1
[ 2, 2668, 1274, 440, 2375, 1416, 1331, 1787, 1515, 1544, 1470, 1339, 433, 424, 2111, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][F][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
COc1cc(C#N)c(F)cc1Nc1nc(NCC2Cc3ccccc3C2)nc(Nc2ccc(Br)cc2C(=O)N[Dy])n1
[ 2, 1423, 2367, 1301, 1568, 1608, 1978, 1343, 1544, 1323, 1325, 1339, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][N][C][=C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=N][Ring2][Ring2][#Branch1]
Cn1cc(CNc2nc(Nc3cc(C(F)(F)F)cnc3Cl)nc(N[C@H](Cc3ccc(Cl)cc3)C(=O)N[Dy])n2)cn1
[ 2, 420, 1318, 2485, 2514, 2250, 1670, 437, 1408, 1634, 423, 2029, 1470, 1339, 1337, 1719, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=C][N][C][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2]
COc1ncccc1Nc1nc(NCC2CC(C)OC2C)nc(Nc2ccc(C(=O)N[Dy])cn2)n1
[ 2, 1681, 1405, 2078, 2370, 1372, 2391, 1368, 1465, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[O][=C][Branch1][Ring1][N][Dy][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=N][C][Branch1][S][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=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][=N]
O=C(N[Dy])[C@H](CC1CC1)Nc1nc(NCCCN2C(=O)CCC2=O)nc(NCc2cn3cc(Cl)ccc3n2)n1
[ 2, 2668, 1311, 424, 435, 441, 1297, 2688, 2301, 2244, 2363, 1318, 2426, 1411, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][#Branch1][N][C][C][S][S][C][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][=C][C][=N][Ring2][Ring2][Ring2]
CNC(=O)c1cc(Oc2ccc(Nc3nc(NCCSSC)nc(NC4(C(=O)N[Dy])CCCC4)n3)cc2)ccn1
[ 2, 420, 1881, 1481, 1495, 2041, 2130, 2627, 1337, 1689, 1302, 2538, 1784, 1720, 425, 1305, 1536, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=N][C][Branch2][Ring1][C][N][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][O]
O=C(N[Dy])[C@@H](Cc1ccc(C(F)(F)F)cc1)Nc1nc(Nc2ccc(F)c(Cl)c2F)nc(Nc2noc3ccc(F)cc23)n1
[ 2, 2668, 1311, 424, 435, 2168, 427, 1357, 1468, 1346, 1366, 2925, 1371, 1324, 2235, 1356, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][C][N][C][=C][C][=C][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][#C][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][=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][Ring2][Ring1][C][=C][C][Ring2][Ring2][#Branch2][=N][Ring2][Ring2][=N]
CCn1cc2cc(Nc3nc(Nc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)nc(Nc4cccc(Cl)c4C(=O)N[Dy])n3)ccc2n1
[ 2, 1274, 1303, 2091, 1298, 438, 1342, 1283, 2013, 1808, 1393, 1291, 433, 2572, 1309, 1430, 2585, 1293, 2471, 1322, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
22
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Branch1][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][=N][Ring2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1]
CC(C)CC(C)(CNc1nc(NCC2CCC(C(=O)N[Dy])CC2)nc(Nc2cc(=O)[nH]c(=O)[nH]2)n1)NC(=O)c1cc(Cl)c(Cl)[nH]1
[ 2, 1526, 1526, 2113, 1359, 1540, 1302, 2232, 2681, 1494, 1329, 1356, 2706, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][=C][C][C][Branch1][Ring2][C][C][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy]
C=CCC(CC=C)(Nc1nc(Nc2cc(C)cc(F)c2)nc(Nc2cc(OC)ccn2)n1)C(=O)N[Dy]
[ 2, 1602, 1543, 2281, 1695, 1769, 1351, 1552, 1293, 1435, 1596, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
12
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][=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][=N]
Cc1ccc(S(C)(=O)=O)cc1Nc1nc(Nc2ccc3c(c2)CNCC3)nc(N[C@@H](CCCN=[N+]=[N-])C(=O)N[Dy])n1
[ 2, 1357, 2581, 2487, 2959, 1378, 1518, 1297, 1715, 458, 462, 1339, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][P][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][C][Ring2][Ring2][Ring1]
CCS(=O)(=O)N1CC(CNc2nc(NCCC3CC(=O)N(C)C3)nc(Nc3c(F)cc(Br)cc3C(=O)N[Dy])n2)C1
[ 2, 1274, 2055, 2260, 2458, 2322, 1418, 1301, 2177, 1455, 1276, 1995, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][C][C][N][Branch2][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][=C][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][#N][=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][C][C][Branch1][C][C][O][Ring2][Ring2][#Branch2]
CC1CN(S(=O)(=O)CCNc2nc(NCC(C)(C)CCC#N)nc(Nc3c(C(=O)O)cccc3C(=O)N[Dy])n2)CC(C)O1
[ 2, 1715, 1789, 2712, 1562, 1320, 1313, 448, 1972, 1497, 1278, 1495, 1343, 1339, 425, 1526, 429, 2471, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
19
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][F][=C][Ring1][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][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][S]
O=C(N[Dy])c1cc(Br)cc(F)c1Nc1nc(NCCc2c[nH]c3cc(Cl)ccc23)nc(Nc2ccc(Cn3ccnc3)cc2)n1
[ 2, 2668, 1311, 424, 435, 1293, 1323, 1305, 1769, 2374, 2938, 1671, 3004, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][C][=N][C][Branch1][#C][N][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C]
CCOC(=O)c1cnn(C)c1Nc1nc(Nc2cscc2C(=O)OC)nc(N(C)[C@@H](CC2CCCCC2)C(=O)N[Dy])n1
[ 2, 1508, 2081, 1364, 1318, 2158, 1810, 1779, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
10
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2][=N][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][Ring2][Ring1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][=Branch1]
O=C(N[Dy])c1ccc(Nc2nc(NCC3CCC(C(F)F)CC3)nc(NCC(O)c3ccc(Cl)s3)n2)c(C(F)(F)F)c1
[ 2, 2668, 1311, 424, 435, 1286, 1458, 1878, 2973, 2185, 1284, 1495, 2340, 1811, 1468, 2655, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][=C][Branch1][C][Cl][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][O]
C=C(Cl)CNc1nc(Nc2cnc(OC)cc2C(=O)N[Dy])nc(Nc2nccnc2Br)n1
[ 2, 1275, 1501, 1354, 1428, 1645, 1290, 1954, 2294, 1356, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch2]
O=C(N[Dy])c1ccc(C(F)(F)F)c(Nc2nc(NCc3cc4ccccc4[nH]c3=O)nc(Nc3ccc4ncccc4c3)n2)c1
[ 2, 2668, 1311, 424, 435, 1286, 1468, 420, 1491, 2051, 2829, 1862, 2919, 2499, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][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][Branch2]
Cc1ccc(C(CC(=O)N[Dy])Nc2nc(NCCCc3cc(=O)[nH][nH]3)nc(NCC3(CO)CC4C=CC3C4)n2)cc1
[ 2, 1357, 1510, 2190, 1951, 2862, 1749, 2790, 1356, 2140, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][Ring2][Ring1][=N]
O=C(N[Dy])[C@@H](Cc1ccc(Cl)c(Cl)c1)Nc1nc(NCc2cncc(F)c2)nc(NCc2cccc(N3CCOCC3)c2)n1
[ 2, 2668, 1311, 424, 435, 440, 423, 433, 1357, 1501, 1771, 1358, 2761, 1406, 1563, 2210, 1411, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][=C][C][C][C@@H1][Branch2][Branch1][O][N][C][=N][C][Branch1][N][N][C][=N][N][=C][Branch1][C][S][S][Ring1][=Branch1][=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][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy]
C=CCC[C@@H](Nc1nc(Nc2nnc(S)s2)nc(Nc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)n1)C(=O)N[Dy]
[ 2, 1595, 1704, 1565, 1758, 2847, 1874, 1303, 1333, 1285, 2368, 425, 1963, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][Branch1][C][C][C][=N][N][=C][Branch2][Branch1][#Branch1][C@H1][C][C@H1][Branch2][Ring2][=Branch2][C][N][C][=N][C][Branch1][=N][N][C][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][=N][C][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][C@H1][Branch1][C][O][C][Ring2][Ring1][P][NH1][Ring2][Ring2][=Branch1]
CC(C)c1nnc([C@H]2C[C@H](CNc3nc(NCCn4cccnc4=O)nc(N4CSC[C@H]4C(=O)N[Dy])n3)[C@H](O)C2)[nH]1
[ 2, 1274, 1332, 1757, 1483, 441, 1767, 434, 420, 1610, 2795, 2502, 1337, 441, 1463, 1287, 1375, 441, 1488, 2486, 442, 2074, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
23
[C][S][C][C][=N][N][=C][Branch2][Branch1][=Branch1][C][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][Branch1][P][N][C@@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][#C][NH1][Ring2][Ring2][=Branch1]
CSCc1nnc(CNc2nc(NC[C@@H]3C[C@H](F)CN3Cc3ccnn3C)nc(N[C@@H]3CC[C@H](C(=O)N[Dy])C3)n2)[nH]1
[ 2, 420, 1666, 1757, 2260, 1454, 1498, 1674, 1451, 1917, 1349, 1808, 1378, 1518, 1274, 2076, 1343, 1394, 442, 2074, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
21
[C][O][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring2][P][N][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=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][=N][=N][Ring2][Ring2][Branch1]
COc1nc(C)nc(Nc2nc(Nc3ncc(Cl)cc3F)nc(NC(CCc3ccccc3)C(=O)N[Dy])n2)n1
[ 2, 2311, 1288, 1276, 1458, 1358, 1401, 2241, 1406, 1453, 1307, 2112, 1287, 1411, 1652, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][N]
O=C(N[Dy])[C@@H]1CCCN1c1nc(NCc2nccs2)nc(NCC2CC(=O)N(Cc3ccccc3)C2)n1
[ 2, 2668, 1311, 424, 435, 440, 1715, 1463, 1636, 1612, 1530, 1466, 2751, 1480, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][O][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][O][=C][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy]
COc1cccc(Nc2nc(NCCN3CCS(=O)CC3)nc(Nc3ccc4nccnc4c3)n2)c1C(=O)N[Dy]
[ 2, 1474, 1549, 1489, 1285, 1391, 1520, 1862, 2261, 2509, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1]
COC(=O)c1cc(O)cc(Nc2nc(NCCCc3nnc(C)s3)nc(Nc3c(C(=O)N[Dy])ccc4ccccc34)n2)c1
[ 2, 1621, 2590, 1493, 1951, 1757, 1895, 1466, 1318, 1302, 1286, 1286, 422, 2037, 2050, 431, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][C][=C][C][=C][Branch2][#Branch1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Branch1][#C][O][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][#C][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][=N][Ring2][Ring2][#C][C][=C][Ring2][Branch1][Branch1]
Cc1ccc(-c2cc(C(F)(F)F)nc(OCCNc3nc(Nc4cccnc4[N+](=O)[O-])nc(N[C@H](Cc4ccc(C(F)(F)F)cc4)C(=O)N[Dy])n3)n2)cc1
[ 2, 1357, 428, 431, 423, 1293, 1468, 1276, 2018, 1307, 2007, 1414, 1381, 2287, 1634, 1283, 427, 1357, 1468, 1346, 1339, 439, 1322, 438, 1275, 427, 423, 423, 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 ]
[ 1, 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 ]
29
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch1][S][N][C][=C][N][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C]
CCn1nccc1CNc1nc(Nc2cnc(C)c(Br)c2)nc(N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[Dy])n1
[ 2, 1274, 2138, 1669, 1340, 1428, 2428, 1466, 1697, 421, 1357, 1420, 1455, 421, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][Branch1][C][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][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@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring2][#Branch1]
CC(C)(CCS(C)(=O)=O)CNc1nc(Nc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)nc(N[C@H](CC(=O)N[Dy])Cc2cccs2)n1
[ 2, 1526, 1962, 1444, 420, 2001, 1303, 1333, 1285, 2368, 425, 1363, 1634, 1407, 1357, 1530, 1719, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][N][C][C][N][Branch2][Branch1][N][C][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=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][O][=C][Ring2][Ring2][C][C][C][Ring2][Ring2][=Branch2]
CN1CCN(Cc2cccc(Nc3nc(Nc4cnc(Br)cn4)nc(N4C5CCCCC5C[C@@H]4C(=O)N[Dy])n3)c2)CC1
[ 2, 420, 2381, 1306, 1563, 1500, 1374, 2997, 1363, 1635, 1372, 440, 1343, 1339, 429, 1328, 1313, 2027, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
19
[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1]
COC(=O)c1occc1Nc1nc(NCc2ccncn2)nc(N2CC(C(=O)N[Dy])C2)n1
[ 2, 1365, 1423, 1402, 2480, 1276, 1622, 1968, 1368, 1329, 1784, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
12
[C][N][C][C][Branch2][Branch1][C][C][C][C][Ring1][=Branch1][C][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S]
CN1CC2(CCC1CNc1nc(NCC=C(Cl)Cl)nc(Nc3cc(Br)cc(C(=O)N[Dy])c3)n1)CC2
[ 2, 420, 1285, 2113, 1274, 1372, 2332, 2996, 1937, 1323, 1579, 1403, 1274, 1413, 433, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[O][=C][N][C][Branch2][=Branch1][=Branch2][C][C][=C][C][=C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][C][O][Ring2][Ring2][N]
O=C1NC(Cc2ccc(Nc3nc(Nc4ccc5[nH]c(=O)[nH]c5c4)nc(Nc4nc(C(F)(F)F)c(C(=O)N[Dy])s4)n3)cc2)CO1
[ 2, 2668, 1279, 1487, 434, 1759, 424, 2474, 2277, 1675, 1656, 1599, 1437, 421, 1302, 433, 1724, 1394, 1327, 1277, 429, 1300, 424, 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, 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 ]
24
[C][C][O][C][=C][C][=N][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=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][Ring1][=C][Ring2][Ring2][#Branch2]
CCOc1ccnc(Nc2nc(NCc3cnn(Cc4ccccc4)c3)nc(N3Cc4ccccc4C[C@@H]3CC(=O)N[Dy])n2)c1
[ 2, 1561, 1276, 1538, 1416, 2771, 1353, 1941, 440, 1344, 1335, 1490, 1328, 436, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][Branch1]
COc1ccc(C(=O)N[Dy])c(Nc2nc(NCc3nc(C)ccc3C)nc(NCC34CCC(C)(CO3)C4)n2)c1
[ 2, 1673, 1491, 1489, 1792, 1752, 1361, 2295, 2290, 2407, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[N][#C][C][=C][C][=C][Branch2][Branch1][Branch2][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][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][=C][N][=C][Ring2][Ring2][=Branch1]
N#Cc1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc(N[C@@H](Cc3ccco3)C(=O)N[Dy])n2)nc1
[ 2, 424, 438, 1286, 2375, 2402, 1369, 1361, 1518, 1326, 1357, 429, 1463, 1287, 1379, 1611, 426, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P]
COC(=O)c1sccc1Nc1nc(Nc2ccc3ncccc3c2)nc(N[C@@H](Cc2ccc(C(C)=O)cc2)C(=O)N[Dy])n1
[ 2, 2035, 1932, 1402, 2005, 2919, 2369, 439, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
9
[C][O][C][=C][N][=C][Branch2][Ring2][=C][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][Branch1][S][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][S]
COc1cnc(CNc2nc(Nc3ccc(O)c(C)c3)nc(N[C@H](C(=O)N[Dy])C3CC3)n2)cn1
[ 2, 2392, 1304, 1305, 2005, 1488, 1945, 1386, 1667, 1575, 1403, 420, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][N]
Cc1cc(C(=O)N[Dy])ccc1Nc1nc(Nc2cccc(OC(F)F)c2)nc(Nc2ccc([N+](=O)[O-])c(F)c2)n1
[ 2, 1818, 2388, 2900, 1671, 2972, 1480, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1 ]
8
[O][=C][Branch2][Branch1][=N][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][Branch1][#C][N][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][=N][Ring2][Ring1][=N][N][Dy]
O=C(C[C@H]1Cc2ccccc2CN1c1nc(NCCC2OCCc3ccccc32)nc(Nc2ccc3nccn3c2)n1)N[Dy]
[ 2, 2668, 2571, 441, 1978, 424, 1344, 420, 1371, 1331, 1307, 1377, 1344, 2621, 2317, 2178, 1289, 1385, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
20
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=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][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][O][C]
COC(=O)c1ccc(Nc2nc(NCC3CCOC4(CCOCC4)C3)nc(Nc3ccc(CC(=O)N[Dy])cc3)n2)cc1OC
[ 2, 1554, 1516, 2555, 3037, 3035, 1544, 1407, 1398, 1394, 2446, 1294, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring2][=N][N][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy]
C[C@@H](OCc1ccccc1)[C@H](Nc1nc(Nc2ccc(F)c(Cl)c2F)nc(Nc2cccc(F)c2C#N)n1)C(=O)N[Dy]
[ 2, 2354, 425, 1366, 2925, 2574, 1392, 1513, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
9
[C][N][C][=C][Branch2][=Branch1][Ring1][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][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][=N][Ring2][Ring2][=Branch2]
Cn1cc(Nc2nc(NCC3(N4CCOCC4)CC3)nc(N[C@@H](Cc3c(F)c(F)c(F)c(F)c3F)C(=O)N[Dy])n2)cn1
[ 2, 420, 1318, 2463, 1415, 1623, 1748, 1276, 1304, 420, 1518, 1283, 431, 1319, 1301, 2343, 1301, 2969, 432, 2585, 420, 2011, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
23
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][=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][C][Branch1][C][F][=C][Ring2][Ring2][Ring2]
CC(=O)c1ccc(Nc2nc(Nc3cccc(F)c3C#N)nc(Nc3cccc(I)c3C(=O)N[Dy])n2)c(F)c1
[ 2, 1703, 1491, 1364, 1939, 1392, 2572, 1284, 451, 1430, 1339, 1279, 1301, 1844, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][C][=N][C][=C][N][=C][Ring1][=Branch1][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][Ring1][N][C][C@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=C]
Cc1nccnc1Nc1nc(NCC2CCC(C(=O)N(C)C)O2)nc(NC[C@H]2CC[C@H](C(=O)N[Dy])CC2)n1
[ 2, 1274, 1433, 1414, 1416, 1540, 1722, 2192, 1310, 1344, 1361, 2826, 1302, 2232, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][C][=C][C][Branch2][Ring2][S][C][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][P][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][C][Branch1][C][Cl][=N][Ring2][Ring2][Branch1]
Cc1cc(CNc2nc(NCC3CCOCC34CCCC4)nc(N[C@@H](CC3CC3)C(=O)N[Dy])n2)cc(Cl)n1
[ 2, 1349, 2405, 1909, 1616, 1399, 1316, 1378, 1518, 1297, 2688, 1339, 1438, 1309, 1652, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][N][C][=Branch1][C][=O][C][O][C][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=O][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N]
CNC(=O)COCCNc1nc(NCCC2CC(C)(C)NC2=O)nc(Nc2cc(Br)cnc2C(=O)N[Dy])n1
[ 2, 2528, 1307, 1878, 1320, 1279, 1753, 1766, 1469, 1446, 1339, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][=C][S][Ring1][P][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][F][=N][C][N][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][=N][Ring2][Ring2][Ring1]
C=C(C)C(=O)NCCNc1nc(Nc2nc(-c3cccc(OCC(=O)N[Dy])c3)cs2)nc(Nc2nc(F)nc3nc[nH]c23)n1
[ 2, 2401, 1464, 2482, 1359, 1473, 1326, 2645, 1295, 1315, 433, 2057, 1829, 1301, 1276, 2108, 1344, 1402, 1490, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
20
[O][=C][Branch2][=Branch1][=Branch2][C][C@@H1][Branch2][Branch1][Branch1][N][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][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring2][Ring1][#C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Dy]
O=C(C[C@@H](Nc1nc(NCCNC(=O)c2cccnc2)nc(NCC2CS(=O)(=O)c3ccccc32)n1)c1cccc([N+](=O)[O-])c1)N[Dy]
[ 2, 2668, 1487, 434, 1713, 1493, 2304, 1687, 1353, 1331, 1436, 1377, 1419, 1394, 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, 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 ]
20
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][=N][N][C][C][C][C][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][=C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring2][Ring1]
O=C(N[Dy])c1ccc([N+](=O)[O-])cc1Nc1nc(NCCCCN2CCCC2)nc(Nc2nc(NCc3ccc(F)cc3)ccc2[N+](=O)[O-])n1
[ 2, 2668, 1311, 424, 435, 1286, 1448, 1568, 2663, 1578, 1606, 1916, 1515, 421, 2291, 1381, 1490, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch1][S][N][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=N][C][Branch2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][=N]
COc1ccc(OC)c(Nc2nc(NCc3nc(C)ccc3OC)nc(Nc3ccccc3C(=O)c3ccccc3C(=O)N[Dy])n2)c1
[ 2, 1334, 1360, 1538, 1608, 2562, 1294, 2155, 1754, 1278, 2112, 1287, 1536, 1328, 425, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][Ring1]
CCOC(=O)c1cnc(SC)nc1Nc1nc(NCC2(N3CCOCC3)CCOCC2)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(I)cc2)n1
[ 2, 1994, 1923, 1997, 1623, 1785, 1410, 1466, 1518, 1407, 1357, 1284, 451, 1325, 1490, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][O][C][=C][C][=C][Branch2][Branch1][#C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][O][C][#N]
COc1ccc(CNc2nc(NCC3CC(=O)N(Cc4ccccc4)C3)nc(N(C)[C@@H](CC3CCCCC3)C(=O)N[Dy])n2)cc1C#N
[ 2, 1655, 1336, 1502, 2751, 1779, 1490, 1327, 1294, 448, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[C][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][=N][N][C][=C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1][=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][=C][Ring2][Ring2][C]
CCSc1ccc(CNc2nc(NC3=C(C#N)CCC3)nc(Nc3ccc(C(=O)N[Dy])cc3Cl)n2)cc1
[ 2, 2537, 1286, 2550, 1374, 2788, 1544, 1593, 437, 1355, 1327, 420, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2][=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][C][=C][Ring2][Ring2][N][Ring2][Ring2][#Branch1]
Cc1cc(=O)oc2cc(Nc3nc(Nc4nc(Cl)c5cc[nH]c5n4)nc(N[C@@H](CC(=O)N[Dy])c4ccc(C#N)cc4)n3)ccc12
[ 2, 1349, 1278, 429, 1293, 1510, 1341, 2444, 2641, 2103, 1466, 1518, 1407, 1286, 1863, 1424, 1882, 424, 2111, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
20
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=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=C(C)C(=O)NCCNc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(N[C@H](CC(=O)N[Dy])Cc2ccc(Cl)cc2)n1
[ 2, 2401, 1464, 1502, 1615, 2066, 1466, 1634, 1407, 1357, 1470, 1536, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[C][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch1][P][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2]
Cc1cnc(Cl)cc1Nc1nc(Nc2cn[nH]c2)nc(N2CCC[C@@H]2COCC(=O)N[Dy])n1
[ 2, 2143, 1470, 1599, 1370, 1373, 1402, 1700, 440, 1463, 2645, 1403, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Br][C][Branch2][Branch1][S][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][N][N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][O][C][Ring1][S][=Ring1][N][=N][Ring2][Ring2][Ring1][=C][Ring2][Ring2][O]
O=C(N[Dy])c1ccc(Br)c(Nc2nc(Nc3ccc4c(c3)C(O)CCC4)nc(Nc3cccc4c(=O)cc(-c5nn[nH]n5)oc34)n2)c1
[ 2, 2668, 1311, 424, 435, 1286, 2003, 2150, 1416, 1736, 2823, 2155, 2883, 1490, 2505, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
16
[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][Br][=C][Ring1][O][F][=N][Ring2][Ring1][=N]
COc1c(F)ccc(F)c1CNc1nc(Nc2cccc(C(C)=O)c2)nc(Nc2c(C(=O)N[Dy])ccc(Br)c2F)n1
[ 2, 1644, 1293, 1769, 420, 1366, 1342, 1846, 1479, 1607, 1323, 1376, 432, 1411, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[N][#C][C][=C][C][=C][N][=C][Branch2][Ring2][N][N][C][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][=N][C][Branch2][Ring1][C][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][#Branch2][S][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2]
N#Cc1ccc2nc(Nc3nc(Nc4ncccc4CO)nc(N[C@H](C(=O)N[Dy])c4ccsc4)n3)sc2c1
[ 2, 424, 438, 1286, 1315, 1549, 1565, 1976, 429, 1371, 1667, 2549, 1355, 1337, 1413, 433, 1844, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][N][C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=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][Ring2][C][C][C][Ring2][Ring2][=Branch2][=O]
CN1CC(CNc2nc(NCc3ccc(CN4C(=O)CNC4=O)cc3)nc(Nc3ccc(C(=O)N[Dy])cc3Cl)n2)CC1=O
[ 2, 420, 1285, 2485, 2116, 1276, 1576, 1983, 1765, 1544, 1593, 437, 1322, 1313, 2027, 430, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][NH1][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][=N][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P]
O=C(N[Dy])c1ccc2[nH]c(Nc3nc(NCc4cncc(F)c4)nc(Nc4ccc(F)nc4)n3)nc2c1
[ 2, 2668, 1311, 424, 435, 1286, 1373, 1677, 1358, 2761, 2303, 2344, 1447, 1276, 1413, 425, 1966, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][=C][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][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][F]
O=C(N[Dy])c1ccc(Nc2nc(NCCn3cnc4ccsc4c3=O)nc(Nc3ncc(Cl)cc3F)n2)cc1F
[ 2, 2668, 1311, 424, 435, 1286, 1514, 1415, 1324, 1319, 1992, 2258, 2060, 2241, 2589, 1995, 432, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch1][=Branch2][N][C][=N][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][=C]
O=C(N[Dy])c1cncc(Nc2nc(NCc3cccc4c3OCO4)nc(Nc3ncco3)n2)n1
[ 2, 2668, 1311, 424, 435, 2023, 1910, 1340, 2902, 1572, 2800, 1447, 1379, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Ring2][#Branch2][C][N][C][=N][C][Branch1][=N][N][C][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][=N][C][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1]
CC(C)CC(C)(CNc1nc(NCCn2cccnc2=O)nc(N2CCCC[C@@H]2C(=O)N[Dy])n1)NC(=O)c1cc(Cl)c(Cl)[nH]1
[ 2, 1526, 1526, 1573, 420, 1610, 2795, 1383, 1338, 440, 1372, 1287, 1355, 2706, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S]
COC(=O)c1c[nH]nc1Nc1nc(NCCN2CCC3(C2)OCCO3)nc(N[C@H](CC(=O)N[Dy])c2ccc(Cl)cc2)n1
[ 2, 2408, 2631, 1706, 1331, 1837, 1316, 2264, 1408, 1634, 1407, 2716, 1424, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
14
[C][C][C][Branch1][Ring1][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][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][O][C]
CCC(CC)(CNc1nc(Nc2ccc(=O)n(C)c2)nc(Nc2cc(Br)c(F)cc2C(=O)N[Dy])n1)OC
[ 2, 1313, 1929, 2307, 1340, 2293, 1517, 428, 1773, 1469, 1301, 1455, 424, 1294, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[C][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch1]
C#CC[C@H](CC(=O)N[Dy])Nc1nc(NCc2cccs2)nc(Nc2cc(Cl)nc(Cl)n2)n1
[ 2, 1592, 1445, 1367, 1530, 1386, 2961, 1784, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
9
[C][O][C][=C][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1]
COc1cc(Nc2nc(NCCC3CCCC3(F)F)nc(Nc3cc(C)ccn3)n2)c(C(=O)N[Dy])c(OC)c1
[ 2, 1423, 1626, 1951, 1985, 1350, 1851, 1695, 1417, 1403, 1756, 423, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
13
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][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][=N][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2]
O=C(N[Dy])[C@@H]1Cc2ccccc2CN1c1nc(NCc2nc(-c3ccco3)n[nH]2)nc(Nc2cnc(Cl)nc2)n1
[ 2, 2668, 1311, 424, 435, 440, 1978, 424, 1344, 420, 2504, 1833, 2772, 1409, 2434, 1355, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1]
O=C(N[Dy])c1ccc(Cl)c(Nc2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(Nc3ncc(Cl)cc3F)n2)c1
[ 2, 2668, 1311, 424, 435, 1286, 1501, 1459, 1502, 2302, 1464, 1616, 1765, 2060, 2241, 1998, 426, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
18
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][P][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring2][#C]
Cc1cc(C)c(CNc2nc(NCCc3ccc(N4CCOCC4)c(F)c3)nc(N[C@H](Cc3ccc(C#N)cc3)C(=O)N[Dy])n2)c(=O)[nH]1
[ 2, 1705, 2091, 420, 2102, 1286, 2066, 1466, 1634, 423, 421, 1357, 1863, 1290, 1322, 1284, 1494, 1300, 438, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
20
[C][C][Branch2][=Branch1][Branch1][C][N][C][=N][C][Branch1][N][N][C][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring2][#Branch2][N][C][=N][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1][=N][Ring2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
CC(CNc1nc(NCc2ccc[nH]c2=O)nc(Nc2nc3ncc(CNc4ccc(C(=O)N[Dy])cc4)nc3c(=O)[nH]2)n1)S(=O)(=O)N1CCN(c2ccccc2)CC1
[ 2, 1274, 1487, 1284, 1565, 1367, 2008, 1276, 1573, 1281, 1433, 1283, 2013, 1303, 1593, 1315, 1413, 2793, 427, 1312, 1719, 2693, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
23
[C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Branch1][=C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][#Branch2][N][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][S][Ring2][Ring2][=Branch2]
Cc1cc(C#N)c(Nc2nc(Nc3cc(Cl)c(C)cc3[N+](=O)[O-])nc(NC(CCC(=O)OC(C)(C)C)C(=O)N[Dy])n2)s1
[ 2, 1349, 2367, 1948, 1416, 1614, 2477, 1744, 1439, 433, 2027, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
12
[C][C][C][=C][C][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=N][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][N][Dy]
CCc1cccc(Nc2nc(NC[C@@H]3CCO[C@@H]3c3nc(C4CC4)no3)nc(Nc3ncnc4[nH]cnc34)n2)c1C(=O)N[Dy]
[ 2, 1617, 1493, 1502, 2777, 2503, 2104, 1637, 2050, 1668, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1 ]
[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]
11
[C][C][O][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][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][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=N][=N][Ring2][Ring1][#C]
CCOC(=O)c1nonc1Nc1nc(NCc2nc3ccccc3o2)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1
[ 2, 2205, 1523, 2015, 2524, 1809, 1656, 1599, 1437, 421, 1302, 433, 1724, 1394, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
15
[O][=C][Branch2][=Branch1][Ring2][C][C@@H1][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=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][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy]
O=C(C[C@@H](Nc1nc(NCc2ccc3[nH]ccc3c2)nc(Nc2c3c(cc4c2CCC4)CCC3)n1)c1ccc(Br)cc1)N[Dy]
[ 2, 2668, 2196, 1713, 1459, 2048, 1842, 1762, 1773, 2990, 1379, 1286, 1323, 1325, 424, 435, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
17
[C][C][N][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][#C][N][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=N][=N][Ring2][Ring1][=C][C][=C][C][Ring2][Ring2][Branch1][=N][Ring2][Ring2][Branch2]
CCn1cc2cc(Nc3nc(NCCNC(=O)NC(C)C)nc(Nc4nc(C(F)(F)F)c(C(=O)N[Dy])s4)n3)ccc2n1
[ 2, 1274, 1303, 1496, 1489, 2306, 1332, 1656, 1599, 1437, 421, 1302, 433, 1724, 1379, 1293, 2082, 1865, 3 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ 1, 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 ]
19