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][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch1][=N][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch1][P][N][C@H1][C][=C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][Branch2] | Cc1cc(Cl)nc(Cl)c1Nc1nc(NCc2cnc(Cl)s2)nc(N[C@H]2C=C[C@@H](C(=O)N[Dy])C2)n1 | [
2,
1763,
2163,
2608,
2340,
1378,
1634,
1275,
440,
1368,
1343,
1403,
3
] | [
0,
0,
0,
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0,
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1,
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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][O][C][=C][C][=C][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring2][Ring1][P][=C][Ring2][Ring2][Branch2][F] | COc1cccc(Nc2nc(NCC(=O)N(C)CC(F)(F)F)nc(N[C@@H](CC(=O)N[Dy])Cc3cccc(C#N)c3)n2)c1F | [
2,
1474,
1789,
1631,
2192,
2671,
1484,
1518,
1407,
2270,
1420,
1389,
1439,
1877,
432,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][S][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][N][=C][C][=Branch1][C][=O][NH1][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][=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][#C] | O=C(N[Dy])[C@@H]1CSCN1c1nc(NCCc2nnc3c(=O)[nH]ccn23)nc(Nc2ccc(-c3cnco3)cc2)n1 | [
2,
2668,
1311,
424,
435,
440,
1559,
1768,
1363,
2273,
2266,
2275,
1544,
1345,
2756,
1394,
3
] | [
0,
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0,
0,
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0,
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0,
0,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C][C][C][C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][N] | O=C(N[Dy])C1CCCN1c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)nc(Nc2ncc(Cl)cc2F)n1 | [
2,
2668,
1311,
424,
435,
1399,
1768,
1353,
1370,
2346,
1362,
2263,
2060,
2241,
1480,
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][=C][C][=C][Branch2][Branch1][#C][C][=C][S][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][NH1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][Ring1][=Branch2][=N][C][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#Branch2] | O=C(N[Dy])c1ccc(-c2csc(Nc3nc(Nc4n[nH]c5ccc([N+](=O)[O-])cc45)nc(Nc4nccc5cccnc45)n3)n2)cc1 | [
2,
2668,
1311,
424,
435,
1286,
2018,
1275,
1337,
1459,
1454,
1653,
1286,
1448,
1594,
1343,
1386,
1725,
1926,
1308,
1379,
1536,
2038,
3
] | [
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
1,
1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 24 |
[C][S][C][=C][C][=C][Branch2][Branch1][=C][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][C][Branch1][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][C][#N] | CSc1ccc(CNc2nc(NCC(C)(C)CCS(C)(=O)=O)nc(Nc3ccc(C(=O)N[Dy])cc3C(F)(F)F)n2)cc1C#N | [
2,
2626,
1286,
1306,
1305,
1631,
1320,
1274,
1444,
1512,
1303,
1593,
1437,
1424,
2140,
1392,
3
] | [
0,
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0,
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0,
0,
0,
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0,
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0,
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] | [
1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][=C][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Cl][=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][=N][Ring2][Ring2][=Branch1] | Cc1cc(C)nc(Nc2nc(Nc3nc(Cl)ncc3Cl)nc(Nc3c(C(=O)N[Dy])ccc4ccccc34)n2)n1 | [
2,
1349,
1288,
1276,
1459,
1358,
2184,
2946,
1466,
1318,
1302,
1286,
1286,
422,
2037,
1379,
1690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][#C][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][O][C][=N][Ring2][Ring1][Branch2] | C#CC[C@@H](CC(=O)N[Dy])Nc1nc(NCC=C(Cl)Cl)nc(Nc2cc(F)c(C#N)cc2OC)n1 | [
2,
1589,
2332,
2996,
1766,
1564,
1420,
1568,
1294,
1403,
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][C][O][C][=C][C][=C][Branch2][Branch1][O][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2] | C#CCOc1ccc(CNc2nc(Nc3ccnc(C(=O)N[Dy])c3)nc(Nc3cc(N4CCNCC4)ccc3[N+](=O)[O-])n2)cc1 | [
2,
1831,
1655,
1294,
1341,
2216,
1302,
1369,
1484,
2822,
1439,
1959,
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][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][Ring2][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][Branch1][P][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Cl][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch2] | COc1ccc(C(=O)N[Dy])c(Nc2nc(NCCCNC(=O)c3ccc(F)cc3)nc(Nc3c(C)cc(Cl)nc3Cl)n2)c1 | [
2,
1673,
1459,
1416,
1331,
1787,
1515,
2570,
1309,
2567,
2499,
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][Branch2][Branch1][N][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][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][=N][Ring2][Ring1][P][=N][NH1][Ring2][Ring2][#Branch1] | Cc1cc(Nc2nc(NCc3cc(=O)[nH]c4ccccc34)nc(Nc3ccc(C(=O)N[Dy])c(C(=O)O)c3)n2)n[nH]1 | [
2,
1349,
1789,
1971,
2724,
1484,
1303,
1368,
1497,
1278,
429,
1641,
1439,
1618,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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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][=C][C][=C][C][Branch2][Branch1][P][C][=C][C][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2][O][=C][Ring2][Ring2][O] | O=C(N[Dy])c1cccc(-c2cccc(Nc3nc(NCC4(N5CCOCC5)CC4)nc(Nc4ccc(-c5cnco5)cc4)n3)c2O)c1 | [
2,
2668,
1311,
424,
435,
1473,
2091,
1473,
1459,
1415,
1623,
1748,
1544,
1345,
2756,
2452,
429,
2505,
3
] | [
0,
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0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[O][=C][Branch2][Branch1][=C][C][C@@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][Cl][=N][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] | O=C(C[C@@H](Nc1nc(NCC2Cc3ccccc3C2)nc(Nc2cncc(Cl)n2)n1)c1cccc([N+](=O)[O-])c1)N[Dy] | [
2,
2668,
1306,
1305,
440,
1573,
1608,
1978,
1343,
2660,
2248,
1375,
1473,
1448,
1479,
424,
435,
3
] | [
0,
0,
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0,
0,
0,
0,
0,
0,
0,
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] | [
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0,
0,
0,
0,
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0,
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1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][O][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][=N][Ring2][Ring1][=N][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCCN3CCCS3(=O)=O)nc(NCc3cccc(-n4ccnn4)c3)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1458,
1489,
1331,
1530,
1421,
1363,
1563,
1345,
1318,
2245,
1376,
1411,
1832,
1760,
3
] | [
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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0,
0,
0,
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0,
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] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][P][N][C][C][N][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=C] | COc1cc(F)ccc1Nc1nc(NCCN2CCC(C)(F)C2)nc(N[C@@H](CC(=O)N[Dy])c2ccc(F)cc2)n1 | [
2,
1423,
2360,
1492,
1790,
1451,
1312,
1408,
1518,
1407,
1286,
1515,
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][O][C][=C][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1] | COc1cc(Nc2nc(NCc3cccnc3)nc(Nc3ccc(C)nn3)n2)c(C(=O)N[Dy])c(OC)c1 | [
2,
1423,
2041,
1429,
1764,
2303,
2507,
1417,
1784,
1756,
422,
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 |
[N][C][=Branch1][C][=O][C][C][C][O][C][Branch2][Ring2][S][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=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][O][C][Ring2][Ring2][C] | NC(=O)CC1COC(CNc2nc(Nc3cc(Cl)ccc3F)nc(N[C@@H](C(=O)N[Dy])C3CCCCC3)n2)C1 | [
2,
1387,
1313,
1294,
2405,
1358,
1614,
2387,
1361,
1518,
1302,
1399,
2058,
1811,
2445,
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][Branch2][Branch1][=Branch1][N][C][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][P][N][C][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C(NCCCNc1nc(NCCOc2ccc(F)c(F)c2)nc(N2C[C@@H](O)C[C@@H]2C(=O)N[Dy])n1)c1ccc(F)cc1 | [
2,
2668,
1516,
1331,
1706,
2945,
1378,
1498,
1488,
440,
1372,
1287,
1289,
1303,
1515,
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@@H1][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][=N][C][Branch2][Ring1][Branch2][N][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy] | C#CC[C@@H](Nc1nc(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc(Nc2cnc(OC)c(C(F)(F)F)c2)n1)C(=O)N[Dy] | [
2,
1457,
2320,
1927,
2876,
1466,
1428,
1360,
2072,
1963,
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][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][C][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][S][O] | Cc1cc(Nc2nc(NCC3(C4CC4)CCCO3)nc(N3CSC[C@H]3C(=O)N[Dy])n2)ccc1O | [
2,
1349,
1549,
1492,
2063,
1845,
1329,
2502,
1337,
441,
1463,
1287,
1375,
421,
1720,
433,
429,
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][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][Ring2][Ring2][=Branch2] | COc1ccc([N+](=O)[O-])c(Nc2nc(Nc3ccc4c(cnn4C)c3)nc(N[C@@H](Cc3ccccc3F)C(=O)N[Dy])n2)n1 | [
2,
1334,
1605,
1516,
2388,
420,
1385,
2309,
1406,
1697,
1521,
432,
1339,
438,
2011,
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][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][=C][Ring2][Ring2][O] | COC(=O)c1ccc(C(=O)N[Dy])c(Nc2nc(Nc3cc(OC)ccc3OC)nc(Nc3c4ccccc4nc4ccccc34)n2)c1 | [
2,
1642,
1459,
1340,
1993,
1294,
2012,
2201,
1660,
1291,
2037,
1424,
2505,
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][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][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][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][C] | CC(C)(CCS(C)(=O)=O)CNc1nc(NCCNC(=O)c2ccc(Cl)cc2)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(F)cc2)n1 | [
2,
1526,
1962,
1444,
420,
1631,
1787,
1470,
1466,
1518,
1407,
1357,
1515,
1597,
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][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=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][#C] | Cc1nccn1-c1ncccc1CNc1nc(Nc2cc(=O)n(C)c(=O)n2C)nc(NC2(C(=O)N[Dy])CCc3ccccc32)n1 | [
2,
1274,
2317,
425,
1522,
2698,
1924,
1280,
1819,
1408,
1279,
1302,
1274,
1377,
1724,
1394,
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][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][N][Ring1][=Branch2][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring2][Ring1][N] | C[C@@]1(C(=O)N[Dy])CCCN1c1nc(NCc2cn3cc(Cl)ccc3n2)nc(NCC2CN3CCN2CC3)n1 | [
2,
2096,
2363,
1318,
2426,
1383,
1331,
1285,
1917,
2058,
1480,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][C][N][C][N][=C][C][=C][Branch1][C][Br][C][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][=N][Ring2][Ring1][O][S][Ring2][Ring1][P] | O=C(N[Dy])c1cnc(Nc2nc(Nc3cc(Cl)c(O)c(Cl)c3)nc(Nc3nc4cc(Br)ccn4n3)n2)s1 | [
2,
2668,
1311,
424,
435,
1537,
1459,
1359,
1614,
2860,
2679,
2177,
1679,
2417,
1356,
433,
2486,
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][=C][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=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][Ring2][C][C][C][Ring2][Ring2][=Branch2][=O] | CN1CC(CNc2nc(NCc3cccnc3N(C)C)nc(N[C@H](Cc3ccc(C(F)(F)F)cc3)C(=O)N[Dy])n2)CC1=O | [
2,
420,
1285,
1306,
1305,
1340,
1764,
1680,
2287,
1634,
1283,
427,
1357,
1468,
1346,
1290,
1322,
1313,
2027,
430,
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][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][=N][NH1][C][=C][Ring1][Branch1][C][#N][=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][=Branch2][C][=N][Ring2][Ring1][S] | CCOC(=O)c1cnc(Nc2nc(Nc3n[nH]cc3C#N)nc(NC3(C(=O)N[Dy])CCCCC3)n2)cn1 | [
2,
1994,
1543,
1429,
2135,
448,
1371,
1279,
1302,
1547,
1344,
1375,
420,
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][N][N][=N][C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1][C][Branch1][C][F][F] | Cn1nnc(CNc2nc(Nc3nccnc3Br)nc(N[C@@H](CC(=O)N[Dy])c3ccc(F)cc3)n2)c1C(F)F | [
2,
1633,
424,
1276,
2635,
1429,
1401,
2294,
1408,
1518,
1407,
1286,
1515,
1821,
2013,
1350,
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@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][C][Branch1][#C][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | O=C(N[Dy])[C@H]1C[C@H](O)CN1c1nc(Nc2ncc(Cl)cc2F)nc(Nc2n[nH]c3ncccc23)n1 | [
2,
2668,
1311,
424,
435,
2637,
1488,
424,
1372,
2060,
2241,
1383,
1324,
1373,
1660,
2337,
1375,
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][Branch2][=Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][P][N][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1][=C][C][=C][Ring2][Ring2][=C][F] | Cc1cc(Nc2nc(Nc3n[nH]c4c3CN(C(=O)OC(C)(C)C)C4(C)C)nc(N[C@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)ccc1F | [
2,
1349,
1487,
436,
2001,
2135,
1506,
1410,
1332,
1512,
1634,
423,
433,
1357,
1301,
2218,
1290,
1719,
1882,
421,
432,
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][S][C][=C][C][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring2] | CCSc1ccc(CNc2nc(Nc3cccc(C)c3Cl)nc(Nc3c(Br)cc(C)cc3C(=O)N[Dy])n2)cc1 | [
2,
2537,
1286,
2321,
2656,
2044,
437,
2089,
1318,
1996,
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][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][N][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=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][Ring2][C][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring2][#Branch2][C] | Cc1sc(Nc2nc(Nc3cnc(C#N)c(C(F)(F)F)c3)nc(N[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N[Dy])n2)c(C#N)c1C | [
2,
1274,
1337,
2091,
1502,
1428,
2239,
1512,
1634,
423,
433,
1357,
1501,
1771,
1290,
1322,
1275,
1651,
1847,
2415,
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][C][C][C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch1][S][N][C][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2][Br][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | CCCCC(Nc1nc(NCc2nc3cc(F)ccc3o2)nc(NCc2cc(OC)ncc2Br)n1)C(=O)N[Dy] | [
2,
1547,
1458,
2161,
2867,
1386,
2539,
425,
1362,
443,
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][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][P][C][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][=N][Ring2][Ring1][N][C][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy] | CC(C)(C)OC(=O)N1CCN(c2nc(NCC3(Cc4ccccc4)CC3)nc(Nc3ncc([N+](=O)[O-])cn3)n2)C1C(=O)N[Dy] | [
2,
2061,
2635,
2504,
2784,
2390,
1605,
1918,
1814,
2486,
1290,
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][Branch1][C][Br][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][Ring1][C][O][C][C][C][=C][C][Ring1][Branch2][C][Ring1][Branch1][=N][C][Branch1][P][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N][=N][Ring2][Ring1][O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][#Branch1] | Cc1cc(Br)c(Nc2nc(NCC3(CO)CC4C=CC3C4)nc(Nc3sc(C)c(C)c3C#N)n2)c(C(=O)N[Dy])c1 | [
2,
1555,
1458,
1415,
2790,
1689,
1337,
1425,
1517,
431,
1392,
2667,
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][O][C][=C][N][=C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][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][Ring2][C][C][=N][Ring2][Ring2][#Branch2] | COc1cnc(CNc2nc(NCc3ccccc3N3CCOCC3)nc(N3Cc4ccccc4C[C@H]3C(=O)N[Dy])n2)cn1 | [
2,
2392,
2375,
1849,
1405,
1467,
1406,
1941,
441,
1344,
1290,
2527,
2193,
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][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][C][C][Branch1][=Branch1][C][C][Ring2][Ring2][=Branch1][O][C][C][O][Ring1][#Branch1] | CC1(CNc2nc(NCCS(=O)(=O)C3CCOCC3)nc(N[C@@H](Cc3ccsc3)C(=O)N[Dy])n2)CCC2(CC1)OCCO2 | [
2,
1274,
2260,
1706,
2991,
1361,
1518,
1326,
1274,
2604,
1287,
1379,
1313,
1390,
1274,
2074,
1307,
1815,
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][=C][C][C][C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][C][C][Ring2][Ring2][Branch2] | C=C1CCC(CNc2nc(Nc3ccc4c(ccn4C)c3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(Br)cc3)n2)CC1 | [
2,
1275,
1313,
2465,
2388,
1679,
2309,
1466,
1518,
1407,
1357,
1323,
1325,
1424,
1274,
2195,
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][Branch2][Ring2][N][N][C][=N][C][Branch1][#C][N][C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][C][C][=N][C][Branch1][S][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC(Nc1nc(NCC(CN(C)C)OCC)nc(Nc2ncc(Cl)c(Cl)n2)n1)C(=O)N[Dy] | [
2,
1396,
1549,
1489,
1297,
1633,
1332,
1307,
2439,
1501,
2256,
1541,
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][O][C][=C][C][=C][Branch2][Branch1][=C][C][C@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][N][O][C] | COc1ccc(C[C@H](Nc2nc(NCCCCN3C(=O)c4ccccc4C3=O)nc(NCC3CCC4CC4C3)n2)C(=O)N[Dy])cc1OC | [
2,
1655,
1305,
441,
1449,
2406,
2835,
2569,
2985,
2594,
424,
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][O][C][Branch1][C][C][Branch2][Branch1][=C][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][Ring1][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][C][C][C][Ring1][Ring1] | COC(C)(CNc1nc(Nc2nc(OCc3ccccc3)c3nc[nH]c3n2)nc(Nc2nc(Cl)ccc2C(=O)N[Dy])n1)C1CC1 | [
2,
1330,
1288,
1306,
1305,
1927,
1429,
1521,
421,
2108,
1316,
2472,
1361,
2444,
1325,
1290,
1536,
1575,
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][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][P][N][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=N][Ring2][Ring1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][#Branch1] | O=C(N[Dy])c1ccc(Nc2nc(NCC34CC=CC(C3)OC4)nc(Nc3ncc(-c4ccccc4)s3)n2)c(C(F)(F)F)c1 | [
2,
2668,
1311,
424,
435,
1286,
1481,
1909,
1305,
1837,
1308,
1294,
1329,
1361,
1401,
2347,
1814,
1468,
2276,
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][N][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][O][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][#C] | COC(=O)c1cnccc1Nc1nc(NCc2cc3n(n2)CCCO3)nc(Nc2cc(C(=O)O)cc(C(=O)N[Dy])c2)n1 | [
2,
1365,
2404,
1415,
1679,
1395,
1531,
1288,
2056,
1484,
1317,
1497,
1278,
429,
1570,
1641,
1394,
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][Branch2][Ring2][=Branch2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][N][=O][=N][C][Branch1][P][N][C][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring2][Ring1][Ring1][#Branch1] | Cc1c(CNc2nc(NCCNC(N)=O)nc(N3C[C@@H](O)C[C@@H]3C(=O)N[Dy])n2)oc2ccc(F)cc12 | [
2,
1319,
1626,
420,
1778,
2849,
1378,
1498,
1488,
440,
1372,
1287,
1447,
1960,
2561,
1312,
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][C][O][C][=C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][Ring2][Ring1][S][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][O] | O=C(O)c1cc(Nc2nc(Nc3ccc4cnccc4c3)nc(Nc3cc4cccnc4c4ncccc34)n2)cc(C(=O)N[Dy])c1 | [
2,
2668,
1511,
1293,
1459,
1340,
1342,
2126,
1675,
2012,
1275,
1816,
1660,
422,
2037,
1424,
1305,
1426,
429,
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][#Branch1][N][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | O=C(Nc1ccc(CNc2nc(Nc3cccc(F)n3)nc(N3CCOC[C@@H]3C(=O)N[Dy])n2)cc1)c1ccco1 | [
2,
2668,
1483,
1303,
1573,
420,
1374,
1342,
1301,
1417,
1968,
1294,
440,
1372,
1287,
1403,
1720,
433,
2357,
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 |
[N][=C][Branch1][Branch1][C][C][C][N][N][C][=N][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=N][C][Branch1][S][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] | N=C(CCCN)Nc1nc(Nc2ccncc2Cl)nc(NC2(C(=O)N[Dy])CCC2)n1 | [
2,
1315,
423,
1332,
424,
1429,
2889,
1386,
1279,
1302,
2339,
1447,
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][S][C][Branch1][C][C][=C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][=N][Ring2][Ring1][=N][C][=Ring2][Ring2][Branch1][Br] | Cc1sc(C)c(CNc2nc(NCC3CCCOC3)nc(Nc3ccc4cc(C(=O)N[Dy])ccc4c3)n2)c1Br | [
2,
1274,
1337,
1425,
2113,
2437,
1834,
2675,
1275,
1532,
1344,
1791,
1460,
1847,
423,
443,
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@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][N] | O=C(N[Dy])[C@H](CC1CC1)Nc1nc(NCCC(O)C2CCCC2)nc(NCc2noc3ccc(F)cc23)n1 | [
2,
2668,
1311,
424,
435,
441,
1297,
2688,
1958,
1569,
1985,
1361,
1370,
2235,
1480,
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][N][=C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][P][N][C][C][S][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][Br][=N][Ring2][Ring1][#C][C][=N][Ring2][Ring2][#Branch1] | COc1cnc(CNc2nc(NCCS(=O)Cc3ccccc3)nc(Nc3c(Br)cc(C(=O)N[Dy])cc3Br)n2)cn1 | [
2,
2392,
2260,
1492,
1391,
1755,
1418,
1323,
1275,
1657,
443,
2020,
1719,
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][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=Branch1][C][=O][N][=C][NH1][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][O] | COc1cc(F)c(Cl)cc1Nc1nc(NCc2cc(=O)nc[nH]2)nc(Nc2ccc(C(=O)N[Dy])cc2F)n1 | [
2,
1423,
2461,
1362,
1358,
2887,
1544,
1593,
432,
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 |
[C][C][=C][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][Branch1][C][Cl][=N][Ring2][Ring2][Ring2] | Cc1ccc(Nc2nc(Nc3ncc([N+](=O)[O-])cn3)nc(Nc3cc(F)ccc3C(=O)N[Dy])n2)c(Cl)n1 | [
2,
1357,
1481,
1366,
1401,
1605,
1918,
1766,
2360,
1339,
1279,
1309,
1536,
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][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | CC(C)(CCS(C)(=O)=O)CNc1nc(NCc2ccc(-n3cncn3)cc2)nc(Nc2cccc([N+](=O)[O-])c2C(=O)N[Dy])n1 | [
2,
1526,
1962,
1444,
420,
1947,
2249,
1408,
1342,
1448,
1479,
1339,
439,
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][=N][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][=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][C] | Cc1ccncc1Nc1nc(NCc2cccc(-n3ccnn3)c2)nc(N2Cc3ccccc3C[C@@H]2CC(=O)N[Dy])n1 | [
2,
2191,
1354,
1563,
1345,
1318,
2245,
1376,
1353,
1941,
440,
1344,
1335,
1597,
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][Branch2][Branch1][Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=Ring1][Branch2][Cl][=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][=N][C][Branch1][C][C][O][Ring2][Ring2][Branch1] | CC1CC(CNc2nc(NCc3sc(N(C)C)nc3Cl)nc(N[C@@H](Cc3ccco3)C(=O)N[Dy])n2)C(C)O1 | [
2,
1399,
2307,
1415,
1337,
1390,
1680,
1276,
2299,
437,
1361,
1518,
1326,
1357,
429,
1463,
1287,
1460,
1288,
429,
2082,
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][Branch2][Ring2][S][C][N][C][=N][C][Branch1][=C][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][#N][=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][O][C][N][C][=C][C][=N][Ring1][Branch1] | CC(CNc1nc(NCC(C)(C)CCC#N)nc(Nc2c(F)cccc2C(=O)N[Dy])n1)Cn1cccn1 | [
2,
1274,
2405,
1562,
1320,
1313,
448,
1361,
1318,
2042,
1339,
1294,
1317,
1577,
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][S][C][Branch2][Branch1][Ring1][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@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring1] | CCOC(=O)c1csc(Nc2nc(Nc3ncc(Cl)cc3F)nc(N[C@@H](Cc3ccc(C)cc3)C(=O)N[Dy])n2)n1 | [
2,
2200,
1337,
1449,
1358,
1401,
2241,
2115,
425,
1490,
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][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][C][=C][Ring2][Ring2][=Branch1][Cl] | Cc1cc(Nc2nc(NCCC3CCCC3(F)F)nc(Nc3cc(S(C)(=O)=O)ccc3C(=O)N[Dy])n2)ncc1Cl | [
2,
1349,
1483,
1951,
1985,
1350,
1922,
438,
425,
2446,
437,
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][O][C][=C][C][=C][Branch2][Branch1][S][N][C][=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][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1][C][=C][Ring2][Ring2][N][N+1][=Branch1][C][=O][O-1] | COc1ccc(Nc2nc(Nc3nc(NCc4ccc(F)cc4)ccc3[N+](=O)[O-])nc(Nc3c(C)cccc3C(=O)N[Dy])n2)cc1[N+](=O)[O-] | [
2,
1655,
433,
2482,
1916,
1515,
421,
2291,
1381,
1901,
1290,
1652,
1327,
424,
1381,
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][Branch1][C][C][=C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@H1][Ring1][Ring1][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][=Branch1][C][=O][NH1][Ring2][Ring2][=Branch2] | Cc1cc(C)c(CNc2nc(NC[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)nc(N[C@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)c(=O)[nH]1 | [
2,
1705,
2465,
1366,
2983,
1512,
1634,
423,
433,
1357,
1301,
2218,
1339,
1336,
1494,
2027,
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@@H1][Branch2][Ring2][=C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC[C@@H](Nc1nc(NCc2ccsc2)nc(Nc2ccc(C(=O)OC)c(OC)c2)n1)C(=O)N[Dy] | [
2,
1595,
1514,
2551,
1682,
2012,
2362,
1382,
1594,
1513,
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][NH1][NH1][C][=Branch1][C][=O][C][=Ring1][=Branch1][C][C][N][C][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][=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] | Cc1[nH][nH]c(=O)c1CCNc1nc(Nc2cc(F)c(F)cc2Br)nc(N[C@@H](Cc2ccc(F)c(F)c2)C(=O)N[Dy])n1 | [
2,
1274,
442,
2282,
444,
426,
1274,
1366,
1317,
2764,
1512,
1697,
433,
1357,
1301,
2218,
1339,
438,
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][Branch2][Branch1][O][C][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][N][Dy] | O=C(C[C@@H](Cc1cccs1)Nc1nc(NCc2cnc(-c3ccccc3)o2)nc(Nc2ccc(Cl)cn2)n1)N[Dy] | [
2,
2668,
2466,
440,
1326,
1357,
1530,
2579,
1619,
2686,
1409,
1750,
1417,
1356,
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][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][=N][Ring2][Ring1][S] | C#CC[C@H](CC(=O)N[Dy])Nc1nc(NCc2ccncc2C(F)(F)F)nc(Nc2ccc(N3CCOCC3=O)cc2)n1 | [
2,
1592,
1359,
2982,
2062,
2898,
1424,
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 |
[C][=C][C][C][Branch1][Ring2][C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(NCc2ccccc2COC)nc(Nc2ccc3cc(Br)ccc3c2)n1)C(=O)N[Dy] | [
2,
1602,
1500,
1358,
1941,
1294,
1544,
2177,
1892,
1376,
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][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][S][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][NH1][Ring1][Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][N] | Cc1cc(C(=O)N[Dy])ccc1Nc1nc(NCCNC(=O)c2ccn[nH]2)nc(Nc2cccc3ncccc23)n1 | [
2,
1818,
2305,
1871,
2511,
2848,
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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][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][=N][N][C][=N][C][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][=N][Ring2][Ring1][O] | O=C(N[Dy])c1ccc(Cl)nc1Nc1nc(NCc2cc3ccccc3[nH]c2=O)nc(Nc2nccc(=O)[nH]2)n1 | [
2,
2668,
1311,
424,
435,
1286,
1885,
2051,
2829,
2624,
2421,
1356,
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][Branch2][Branch1][=Branch2][C][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=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][Ring2][Ring1][=Branch2][N][Dy] | O=C(C[C@@H](Cc1cccs1)Nc1nc(NCC=C(Cl)Cl)nc(NCC2(OCCO)CCS(=O)(=O)C2)n1)N[Dy] | [
2,
2668,
1510,
1713,
1326,
1357,
1530,
2332,
2996,
1353,
2916,
1375,
424,
435,
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][O][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][O][N][C][C][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][N][Dy] | O=C(C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(NCCC2CCOC2)nc(Nc2nc3ccc(Cl)cc3s2)n1)N[Dy] | [
2,
2668,
2466,
440,
423,
2029,
1470,
2437,
1999,
2664,
1870,
1375,
424,
435,
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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][C][N][C][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][C][N+1][=Branch1][C][=O][O-1] | O=C(N[Dy])c1ccc(Nc2nc(NCCOC3CCS(=O)(=O)C3)nc(NCC3(C4CC4)CCCO3)n2)cc1[N+](=O)[O-] | [
2,
2668,
1311,
424,
435,
1286,
1458,
1341,
2733,
2185,
2063,
1845,
1329,
1356,
1327,
420,
1381,
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][O][C][=C][C][=C][Branch2][Branch1][N][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P][O][C][Branch1][C][C][C][Ring2][Ring2][O] | CCOc1cc2c(cc1CNc1nc(NCc3ccc4scnc4c3)nc(Nc3cc(-n4cccn4)ccc3C(=O)N[Dy])n1)OC(C)C2 | [
2,
1475,
1286,
1789,
1452,
2048,
1337,
1276,
1762,
1484,
1317,
1345,
1317,
1577,
421,
1398,
1339,
439,
1921,
1300,
429,
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][=C][C][Branch1][C][Cl][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][C][#C][Si][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][N][=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][Ring2][Ring1][#C] | Cc1cc(Cl)cc(C(=O)N[Dy])c1Nc1nc(Nc2ccc(C#C[Si](C)(C)C)nc2)nc(Nc2ccc3c(c2)C(=O)CCC3)n1 | [
2,
1855,
1454,
1721,
1294,
438,
455,
1632,
1321,
424,
2666,
2908,
1394,
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][O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=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][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][S] | CCON(CC)C(=O)CNc1nc(Nc2cc(OC)c(OC)cc2C(=O)N[Dy])nc(Nc2cccc3ncccc23)n1 | [
2,
1475,
424,
1311,
1313,
1691,
1502,
1552,
1956,
1290,
2511,
2848,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=N][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][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][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][=N][Ring2][Ring1][=N] | O=C(N[Dy])c1nc(Br)cnc1Nc1nc(NCc2cnn(Cc3ccccc3)c2)nc(NCc2cccc(Br)n2)n1 | [
2,
2668,
1311,
424,
435,
420,
1276,
1469,
1446,
1416,
2771,
1351,
1563,
1323,
1417,
1411,
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][=C][N][=C][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][=N][Ring2][Ring2][C][S][C][Ring2][Ring2][Branch2][=C][Ring2][Ring2][N] | COc1ccc2nc(Nc3nc(Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)nc(Nc4cc(C(=O)N[Dy])ccc4C(=O)O)n3)sc2c1 | [
2,
1334,
1315,
2091,
1927,
2876,
1408,
1317,
1584,
1499,
429,
1322,
1559,
2195,
1328,
424,
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][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][C][S][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][#Branch2] | COC(=O)c1cc(OC)c(OC)cc1Nc1nc(Nc2ncc(C)s2)nc(Nc2c(F)cc(Br)cc2C(=O)N[Dy])n1 | [
2,
1621,
1382,
1956,
1565,
1401,
1895,
1418,
1301,
2177,
1455,
436,
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][O][C][=Branch1][C][=O][C][S][C][Branch2][Branch1][P][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch2][C][=C][Ring1][P][=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][Ring2][Branch1][=N][C][=Ring2][Ring2][O][C] | CCOC(=O)c1sc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)nc(N[C@@H](Cc3cccnc3)C(=O)N[Dy])n2)nc1C | [
2,
1508,
1559,
2091,
2482,
1931,
2498,
1297,
420,
1280,
1346,
1291,
439,
1363,
1518,
1388,
1357,
1321,
1668,
1652,
1276,
1847,
1294,
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][O][C][Branch1][C][C][Branch2][Ring2][S][C][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Cl][C][=N][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][#Branch2][O][C] | COC(C)(CCNc1nc(Nc2cnc(Cl)cn2)nc(N[C@@H](Cc2ccco2)C(=O)N[Dy])n1)OC | [
2,
1330,
1288,
1491,
1274,
1374,
2805,
1361,
1518,
1326,
1357,
429,
1463,
1287,
1355,
1294,
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@@H1][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=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][Ring2][C][C][C][Ring1][Ring1] | O=C(N[Dy])[C@@H](Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc(Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)n1)C1CC1 | [
2,
2668,
1311,
424,
435,
440,
2018,
1770,
3023,
2155,
2883,
1536,
1575,
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][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][S][Ring1][=N][=N][Ring2][Ring1][S][=C][C][Branch1][C][Cl][=N][Ring2][Ring2][=Branch2] | Cc1cc(CNc2nc(Nc3cccc(N4CCCC4)c3)nc(Nc3nc4ccc(C(=O)N[Dy])cc4s3)n2)cc(Cl)n1 | [
2,
1349,
2465,
2657,
2238,
1376,
1408,
1725,
1593,
433,
1724,
1424,
1305,
1309,
2011,
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][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][S][Ring1][O][=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][=N][C][C][C][C][C][Ring2][Ring2][Branch1] | COCC1(CNc2nc(Nc3nc(CC(=O)OC)c(C)s3)nc(N[C@H]3CC[C@H](C(=O)N[Dy])CC3)n2)CCCCC1 | [
2,
1643,
2414,
1416,
2532,
1550,
429,
1676,
1919,
1371,
1634,
2460,
1302,
2232,
1411,
1547,
2082,
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][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=N][C][Branch1][S][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][N][=N][Ring2][Ring2][#Branch1] | Cc1ccc(Nc2nc(NCCN3C(=O)c4ccccc4S3(=O)=O)nc(Nc3cnccc3C(=O)N[Dy])n2)nn1 | [
2,
1357,
1516,
1502,
2852,
1386,
1428,
1452,
1287,
1424,
424,
1719,
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 |
[N][#C][C][=C][C][Branch2][Branch1][=Branch1][C][=C][N][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring1][=N][=C][C][=C][Ring2][Ring2][Ring1][C][C][C][Ring1][Ring1] | N#Cc1cc(-c2cnc(N3CCCN(C(=O)c4cc5c(F)cccc5[nH]4)CC3)c(C(=O)N[Dy])c2)ccc1C1CC1 | [
2,
424,
438,
1293,
1516,
1537,
1304,
420,
1331,
424,
1283,
1284,
1278,
1286,
2042,
2601,
1274,
1413,
2013,
1302,
1551,
425,
1882,
422,
1575,
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
] | [
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,
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
] | 26 |
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][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][=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] | CC(C)NC(=O)NCCNc1nc(NCc2ccc(NC(=O)c3ccco3)cc2)nc(N2Cc3ccccc3C[C@@H]2CC(=O)N[Dy])n1 | [
2,
1526,
1279,
1464,
2116,
425,
1787,
1639,
1765,
1353,
1941,
440,
1344,
1335,
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][=C][C][C][Branch2][Ring2][P][N][C][=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][C][Branch1][#C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | C=CCC(Nc1nc(Nc2ccc(N3CCOCC3)cn2)nc(Nc2cc(Br)ccc2CO)n1)C(=O)N[Dy] | [
2,
1396,
1458,
1770,
2769,
2152,
2956,
1507,
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][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=N][O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][O][Cl][=N][Ring2][Ring1][S][=N][N][=C][Ring2][Ring2][#Branch1][Cl] | Cc1cc(Nc2nc(NCc3noc(C4CCOCC4)n3)nc(Nc3cc(Cl)nc(C(=O)N[Dy])c3Cl)n2)nnc1Cl | [
2,
1349,
1510,
2432,
2759,
1353,
1686,
1276,
1302,
1376,
437,
1424,
425,
1611,
431,
437,
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][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][O] | O=C(N[Dy])C1CCCN1c1nc(NCc2nc3cc(F)ccc3o2)nc(Nc2ncc(Cl)cc2F)n1 | [
2,
2668,
1311,
424,
435,
1399,
1768,
1361,
1370,
2867,
2060,
2241,
1356,
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][N][=C][Branch2][=Branch1][Ring1][C][C][N][C][=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][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring2][Ring2][S][C][=Ring2][Ring2][N][C] | Cc1nc(CCNc2nc(Nc3ccc(C(=O)N[Dy])c(C(F)(F)F)c3)nc(Nc3ccccc3CN3CCN(C)CC3)n2)sc1C | [
2,
1274,
1315,
2463,
1274,
2194,
1303,
1368,
1468,
1791,
1353,
1754,
1782,
1536,
1337,
1847,
1279,
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][C][=C][Ring1][=Branch1][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][O] | Cc1ccccc1[C@@H](CC(=O)N[Dy])Nc1nc(NCc2ccc(F)nc2)nc(NCc2cccc(C(F)(F)F)c2)n1 | [
2,
1755,
440,
1407,
1916,
2344,
1406,
1563,
1468,
1369,
1356,
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][N][Branch2][Ring2][P][C][C][C][N][C][=N][C][Branch1][=N][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | CCN(CCCNc1nc(Nc2nccc(Cl)n2)nc(Nc2cccc(C)c2C(=O)N[Dy])n1)S(C)(=O)=O | [
2,
1274,
424,
1458,
1313,
1374,
1830,
2248,
2572,
2044,
1339,
436,
1444,
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][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=N][NH1][Ring2][Ring2][Branch1] | Cc1cc(Nc2nc(NCCc3nc4c(C)cccc4o3)nc(Nc3ccc(Cl)cc3C(=O)N[Dy])n2)n[nH]1 | [
2,
1349,
1516,
1354,
1906,
1707,
1973,
1544,
1470,
1339,
438,
1618,
2082,
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][C][F][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] | Cc1cc(F)cc(Nc2nc(NCc3cn4cccc(F)c4n3)nc(Nc3ccc(F)cc3C(=O)N[Dy])n2)c1 | [
2,
1349,
1647,
1493,
1849,
1574,
1312,
1465,
1544,
1515,
1339,
421,
2655,
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][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][=Branch1][Ring1][N][C][=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][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][=Branch1][=C][Ring2][Ring2][=N] | COC(=O)c1ccnc(Nc2nc(Nc3cccc4c(=O)cc(-c5nn[nH]n5)oc34)nc(N[C@@H](CC(=O)N[Dy])c3ccc(C#N)cc3)n2)c1 | [
2,
1621,
1276,
2463,
2194,
2883,
1466,
1518,
1407,
1286,
1863,
1690,
1328,
425,
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][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][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][Branch2][Ring1][C][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][=N][Ring2][Ring1][=C] | O=C(N[Dy])c1ccc(-n2cccn2)cc1Nc1nc(NCCn2cnc3ccsc3c2=O)nc(NCc2cc(F)c(Cl)cc2F)n1 | [
2,
2668,
1311,
424,
435,
1286,
1345,
1317,
1577,
1398,
1415,
1324,
1319,
1992,
2258,
1371,
1434,
2461,
2454,
1379,
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][#C][C][=C][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][C][C][=C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][O][=C][Ring2][Ring2][C] | C#Cc1cccc(Nc2nc(NCC34CC=CC(C3)OC4)nc(Nc3ccc(C(=O)N[Dy])cc3)n2)c1 | [
2,
1831,
1473,
1458,
1909,
1305,
1837,
1308,
1294,
1329,
2391,
1593,
1823,
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][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=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][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][Ring2][C] | CCOC(=O)c1cnn(C)c1Nc1nc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)nc(N[C@@H](Cc2cccnc2)C(=O)N[Dy])n1 | [
2,
1508,
2081,
1502,
2777,
1363,
1518,
1388,
1357,
1321,
1668,
1597,
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][O][C][=C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][C][Branch1][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S][Cl] | COc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(NC3(C(=O)N[Dy])CC3)n2)cc1Cl | [
2,
1334,
1500,
2474,
1875,
1383,
1279,
1302,
1520,
1375,
1720,
433,
437,
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][C][F][=N][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=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][#C] | Cc1cc(F)ncc1CNc1nc(NCc2nccn2-c2ccccc2)nc(NC(COC(C)(C)C)C(=O)N[Dy])n1 | [
2,
1349,
1301,
2279,
2547,
2825,
1746,
1394,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][Cl][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][Ring2][Ring1][Ring2][C][Branch1][C][F][=C][Ring2][Ring1][N] | O=C(N[Dy])c1ccc(Nc2nc(Nc3cc(Cl)nnc3Cl)nc(NC3COC3)n2)c(F)c1 | [
2,
2668,
1311,
424,
435,
1286,
2186,
1358,
1686,
2831,
1833,
2379,
1557,
2151,
2343,
427,
1410,
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 |