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][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy] | CCc1cccc(Nc2nc(NCc3ccc(C)n3C)nc(Nc3cc(Cl)ccn3)n2)c1C(=O)N[Dy] | [
2,
1617,
1677,
1916,
2507,
1372,
2614,
1987,
1447,
1551,
2568,
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][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Branch1][=Branch1][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][Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1] | COC(=O)c1ccnc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3cccc(F)c3C(=O)N[Dy])n2)c1 | [
2,
1621,
1276,
1516,
1770,
3023,
1361,
1939,
1339,
438,
2655,
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][=O][C][=C][C][=C][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][C][O][C][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][Ring2][C][Branch1][C][F][=C][Ring2][Ring2][N] | CC(=O)c1ccc(Nc2nc(NCc3ccc(C)cc3OC3CCOC3)nc(Nc3cc(C(=O)N[Dy])ccc3C(F)(F)F)n2)c(F)c1 | [
2,
1703,
2018,
2643,
1529,
1307,
1330,
1316,
1512,
1317,
1584,
1437,
1536,
1384,
1328,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=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][Ring2] | O=Cc1cccnc1Nc1nc(NCc2cc(-c3ccccc3)[nH]n2)nc(N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[Dy])n1 | [
2,
2668,
1687,
2374,
2252,
2287,
1634,
1283,
427,
1357,
1468,
1346,
1290,
1536,
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][Branch1][O][C][N][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][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][P][=C][Ring2][Ring2][Branch2][C][Branch1][C][F][F] | Cn1nnc(CNc2nc(NCC3(Cc4ccccc4)CC3)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(Br)cc3)n2)c1C(F)F | [
2,
1633,
424,
1276,
2466,
1706,
2784,
1466,
1634,
1407,
1357,
1323,
1325,
1439,
1877,
420,
1350,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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,
1,
1,
1
] | 18 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1] | COC(=O)c1cc(O)cc(Nc2nc(Nc3ccc(O)cc3C)nc(N[C@H](CC(=O)N[Dy])c3ccc(Br)cc3)n2)c1 | [
2,
1621,
2590,
1449,
1912,
1511,
1752,
1408,
1634,
1407,
1286,
1323,
1325,
1411,
1897,
3
] | [
0,
0,
0,
0,
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,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[N][#C][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][C][O][=N][Ring2][Ring1][=N] | N#Cc1cncnc1Nc1nc(NCCOc2cccnc2)nc(Nc2c(C(=O)N[Dy])cnn2CCO)n1 | [
2,
424,
438,
1537,
1414,
1610,
1495,
1414,
1802,
1368,
1385,
1343,
1475,
1411,
3
] | [
0,
0,
0,
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0,
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0,
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0,
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0,
0,
0,
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0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][=C][N][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][#C][N][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][O][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][#Branch2][N][=C][Ring2][Ring1][P] | COc1cnc(Nc2nc(Nc3cnc(Cl)nc3OC)nc(N[C@H]3CC[C@@H](C(=O)N[Dy])C3)n2)nc1 | [
2,
2392,
1542,
1364,
2434,
1294,
1378,
1634,
1274,
440,
1368,
1343,
1355,
1315,
2486,
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 |
[N][#C][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=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][C][Branch1][=N][N][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch1] | N#Cc1ccc(C[C@H](CC(=O)N[Dy])Nc2nc(Nc3ccc([N+](=O)[O-])c(F)c3)nc(NC3CCC(=O)CC3)n2)cc1 | [
2,
424,
438,
1286,
1538,
1674,
1407,
1770,
2972,
1409,
1338,
2832,
1375,
2324,
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][S][C][=Ring1][Branch1][C][N][C][=N][C][Branch1][=C][N][C][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | Cc1ccsc1CNc1nc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(Nc2ncc(Br)nc2C(=O)N[Dy])n1 | [
2,
1274,
2604,
1358,
2237,
1275,
441,
2255,
1361,
1401,
1323,
1446,
1339,
429,
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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][F][C][C][O][C][Ring1][=Branch1][=N][C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=N][Ring2][Ring1][#Branch2] | COc1cccc(C(=O)N[Dy])c1Nc1nc(NCC2(F)CCOC2)nc(Nc2ccccc2-c2nnn[nH]2)n1 | [
2,
1702,
1610,
2932,
1378,
2786,
1355,
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][N][C][C][Branch2][Branch1][Branch1][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][#C][N][C][=C][C][=C][C][O][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Branch1][=O] | CN1CC(CCNc2nc(Nc3cc(Br)c(Cl)cc3C(=O)N[Dy])nc(Nc3cccc4ocnc34)n2)CC1=O | [
2,
420,
1285,
1306,
1288,
2577,
1469,
1309,
2079,
1659,
2311,
1637,
1411,
1274,
2082,
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 |
[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][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][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][P][S][Ring2][Ring2][=Branch2] | Cc1cc(C#N)c(Nc2nc(Nc3cc(F)c(F)cc3[N+](=O)[O-])nc(N[C@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)s1 | [
2,
1349,
2367,
1948,
2514,
2941,
1512,
1634,
423,
433,
1357,
1301,
2218,
1339,
439,
433,
2027,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][=C][C][=C][Branch2][Branch1][P][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][N][=N][C][Branch1][S][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][=C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][O] | Cc1ccc(C[C@H](Nc2nc(NCCc3nc(-c4ccccc4)c(C)s3)nc(NCC(C)OC(C)(C)C)n2)C(=O)N[Dy])cc1 | [
2,
1759,
439,
1674,
1516,
1502,
1331,
2310,
2695,
1410,
1386,
1527,
1650,
2622,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
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0
] | [
1,
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0,
0,
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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][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][N][=C][C][=C][C][=C][Branch1][C][Br][N][Ring1][#Branch1][N][=Ring1][#Branch2][=N][C][Branch2][Ring1][#C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][Ring1] | CCOC(=O)c1cncnc1Nc1nc(Nc2nc3cccc(Br)n3n2)nc(N[C@H](CC(=O)N[Dy])Cc2ccc(C(F)(F)F)cc2)n1 | [
2,
1994,
1414,
1341,
2022,
1286,
1323,
424,
2417,
2287,
1634,
1407,
1357,
1468,
1346,
1490,
3
] | [
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,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch2][=Branch1][S][C][C@@H1][Branch2][=Branch1][Ring2][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][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][#Branch1][C][=C][C][=C][S][Ring1][Branch1][N][Dy] | O=C(C[C@@H](Nc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)n1)c1cccs1)N[Dy] | [
2,
2668,
1487,
1337,
440,
2196,
2116,
1276,
1576,
1983,
1765,
2155,
2883,
1719,
1286,
1530,
424,
435,
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][N][N][=C][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N][=N][C][Branch2][Ring1][=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][S][=C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][#Branch2] | Cn1ncc2cc(Nc3nc(Nc4ccc(-c5ccccc5)cn4)nc(Nc4c(C(=O)N[Dy])ccc(Br)c4F)n3)ccc21 | [
2,
1633,
2638,
1510,
1770,
1326,
2112,
1888,
1607,
1323,
1376,
432,
1424,
1882,
431,
2471,
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][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=N][N][C][C][=N][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][Branch1][S][N][C][C][=N][N][=C][N][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | C=CC[C@@H](Nc1nc(NCc2ncc(C)o2)nc(NCc2nnc3ncccn23)n1)C(=O)N[Dy] | [
2,
1604,
1573,
1374,
1612,
2603,
1386,
1640,
1315,
1679,
2337,
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][C][=C][C][Branch1][C][F][=C][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2] | Cc1cc(F)cc(Nc2nc(NCC3(C4CC4)CCCO3)nc(N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[Dy])n2)c1 | [
2,
1349,
1647,
1496,
1492,
2063,
1845,
1329,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1424,
1877,
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][N][N][=N][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][Ring2][Ring2][=Branch1] | Cn1nnc(Nc2nc(NCc3ccsc3C(F)(F)F)nc(N[C@@H](C/C=C/c3ccccc3)C(=O)N[Dy])n2)n1 | [
2,
1633,
424,
1276,
1483,
1415,
2951,
1353,
1697,
2742,
445,
421,
1522,
1287,
1424,
1690,
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][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2] | COC(=O)c1cc(OC)c(OC)cc1Nc1nc(Nc2ccc(C#N)cc2)nc(Nc2ccnc(C(=O)N[Dy])c2)n1 | [
2,
1621,
1382,
1956,
1912,
1863,
1371,
2216,
1302,
1369,
1355,
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][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Branch1][=Branch2][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][C][=N][Ring2][Ring2][=Branch1] | CCOC(=O)c1cnc(Nc2nc(Nc3cc(F)c(F)cc3Br)nc(N[C@@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)cn1 | [
2,
1994,
1510,
1366,
1317,
2764,
1512,
1697,
433,
1357,
1301,
2218,
1339,
1336,
1690,
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][F][=C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][=N][C][Branch1][S][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] | Cc1cc(F)cc(Nc2nc(Nc3ccc4cc(C(=O)N[Dy])ccc4c3)nc(Nc3nc(C4CC4)cs3)n2)c1 | [
2,
1349,
1647,
1516,
1502,
1303,
1275,
1532,
1344,
1791,
1386,
1296,
2219,
1560,
1329,
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][C][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch1][=N][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][=N][C][Branch2][Ring1][=C][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][#Branch1] | C=C1CCC(CNc2nc(Nc3cc[nH]c(=O)c3)nc(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C(=O)N[Dy])n2)CC1 | [
2,
1275,
1313,
2465,
2087,
2282,
2105,
1734,
1394,
1274,
2111,
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][C][=C][C][=C][Branch2][Branch1][Branch2][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][#Branch1] | N#Cc1ccc([C@H](CC(=O)N[Dy])Nc2nc(Nc3cc(Cl)nc(Cl)c3[N+](=O)[O-])nc(Nc3nccnc3Br)n2)cc1 | [
2,
424,
438,
1286,
1496,
441,
1407,
1416,
1686,
2163,
1381,
1954,
2294,
1355,
2324,
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][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch2] | O=C(N[Dy])c1ccc([N+](=O)[O-])cc1Nc1nc(NCC(O)c2ccc(Cl)s2)nc(Nc2cc(Cl)ccn2)n1 | [
2,
2668,
1311,
424,
435,
1286,
1448,
1568,
1492,
1284,
1495,
2340,
2614,
1987,
1403,
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][C][=O][C][=C][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][C][Branch1][S][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P] | CC(=O)c1cccc(Nc2nc(Nc3ncc(F)cc3[N+](=O)[O-])nc(N[C@H](C(=O)N[Dy])C3CC3)n2)c1 | [
2,
1550,
1473,
1491,
1341,
1401,
1515,
1381,
1386,
1667,
1575,
2456,
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][Branch1][C][F][C][=C][Branch2][Branch1][O][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][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2][F] | COc1c(F)cc(Nc2nc(NCc3ccc(CN4C(=O)CNC4=O)cc3)nc(Nc3c(Cl)cccc3C(=O)N[Dy])n2)cc1F | [
2,
1644,
1275,
1704,
2116,
1276,
1576,
1983,
1765,
1361,
1318,
1309,
1525,
1290,
1322,
1319,
2471,
432,
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][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=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] | CCC#CCNc1nc(Nc2nc(-c3cccnc3)cs2)nc(N[C@H](Cc2ccc(Cl)cc2)C(=O)N[Dy])n1 | [
2,
1313,
1336,
1359,
1599,
1687,
1560,
1419,
1408,
1634,
423,
2029,
1470,
1339,
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 |
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][NH1][C][Ring2][Ring2][Branch1][=O] | Cn1c(=O)cc(Nc2nc(NCCC3CC4(CCC4)CO3)nc(Nc3c(Cl)cccc3C(=O)N[Dy])n2)[nH]c1=O | [
2,
420,
1387,
1275,
1459,
2447,
2257,
1361,
1318,
1309,
1525,
1339,
1836,
2082,
430,
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][=N][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring2][Ring1][=N][Ring2][Ring2][#Branch2] | COc1ccnc(Nc2nc(NCc3cc(OC)nc4ccccc34)nc(N[C@@H](CC(=O)N[Dy])Cc3ccccc3Cl)n2)n1 | [
2,
2498,
1538,
1416,
2539,
1660,
2473,
1353,
1518,
1407,
1755,
437,
1490,
2193,
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][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][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Ring2][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | Cc1cc(CNc2nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)nc(Nc3nccnc3Cl)n2)ccc1Oc1ccc(Cl)cc1Cl | [
2,
1349,
2307,
1927,
1599,
1437,
421,
1302,
433,
1724,
1954,
2856,
2101,
2162,
1495,
1869,
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][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][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][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy] | CC(OC(C)(C)C)C(Nc1nc(NCC(c2ccco2)N(C)C)nc(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1)C(=O)N[Dy] | [
2,
1935,
2320,
1415,
1345,
2357,
1680,
1874,
2135,
1506,
1410,
1332,
2366,
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 |
[N][#C][C][=N][C][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][N][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1ncc(Nc2nc(NCc3ccncn3)nc(N[C@H](CC(=O)N[Dy])Cc3ccc([N+](=O)[O-])cc3)n2)cc1C(F)(F)F | [
2,
424,
1336,
1433,
1493,
2480,
1276,
1622,
2155,
1634,
1407,
1357,
1448,
1568,
1394,
1327,
1277,
1661,
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][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][=C][N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][#C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][O] | CS(=O)(=O)Nc1cccc(Nc2nc(NCCNC(=O)c3cnccn3)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(C(F)(F)F)cc3)n2)c1 | [
2,
420,
1391,
1280,
1473,
1948,
2304,
2023,
1622,
2287,
1634,
1407,
1357,
1468,
1346,
1536,
2505,
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][Ring2][C][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][=N][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][NH1][Ring1][Branch2][=N][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(NCC(C)(OC)C2CC2)nc(Nc2cc(=O)[nH]c(=S)[nH]2)n1)C(=O)N[Dy] | [
2,
1602,
1542,
2490,
2576,
1583,
2681,
1277,
454,
2128,
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][O][C][Branch1][C][C][Branch2][Branch1][=Branch1][C][C][N][C][=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][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][N][O][C] | COC(C)(CCNc1nc(Nc2cc(C(=O)O)cc(C(=O)N[Dy])c2)nc(Nc2ccnc(Cl)n2)n1)OC | [
2,
1330,
1288,
1516,
1274,
1598,
1317,
1497,
1278,
429,
1570,
1641,
1851,
3020,
1480,
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 |
[C][=C][C][O][C][C][N][C][=N][C][Branch1][=C][N][C][C][C][C][C][=Branch1][C][=C][C][C][Ring1][#Branch1][=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][Ring1][=N] | C=CCOCCNc1nc(NCC2CCC(=C)CC2)nc(Nc2cc(C(=O)N[Dy])ccc2C(=O)O)n1 | [
2,
1293,
1307,
1358,
1540,
426,
1396,
1312,
1408,
1317,
1584,
1499,
429,
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][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][=N][O][C][=C][Ring1][Branch1][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][Ring1][#Branch2][=C][Ring2][Ring1][P] | CC(=O)c1cccc(Nc2nc(NCc3nocc3C)nc(Nc3ccc(C(=O)N[Dy])cc3Cl)n2)c1 | [
2,
1550,
1473,
1549,
1429,
1370,
429,
1669,
1544,
1593,
437,
2456,
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][=N][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][C][Branch1][Ring1][O][C][C][C][C][C][O][C][Ring1][=Branch1][=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] | COc1nc(Br)ccc1Nc1nc(NCC(OC)C2CCCOC2)nc(N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[Dy])n1 | [
2,
2311,
2284,
1608,
1360,
1313,
1834,
2287,
1518,
1283,
427,
1357,
1468,
1346,
2610,
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][S][C][C][N][C][=N][C][Branch1][=N][N][C][=N][C][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][=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] | CCSCCNc1nc(Nc2nccc(=O)[nH]2)nc(N[C@@H](Cc2ccc(C)cc2)C(=O)N[Dy])n1 | [
2,
1274,
1666,
1374,
1830,
2421,
2115,
424,
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][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=N][Ring2][Ring2][N] | Cc1ccc([N+](=O)[O-])c(Nc2nc(NC[C@@H]3CCO[C@H]3c3cn[nH]c3)nc(N[C@H](Cc3csc4ccccc34)C(=O)N[Dy])n2)n1 | [
2,
1357,
1605,
1496,
1366,
2024,
441,
1528,
2253,
1484,
1634,
423,
438,
1319,
433,
1286,
1568,
1372,
1287,
1597,
1322,
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
] | [
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][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][O][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][C][=N][Ring2][Ring2][#Branch1] | Cc1cc(Nc2nc(Nc3cc(C(C)(C)C)ccc3O)nc(N3Cc4ccccc4C[C@H]3C(=O)N[Dy])n2)ccn1 | [
2,
1349,
1510,
2514,
1872,
1320,
1286,
1344,
429,
1406,
1941,
441,
1344,
1339,
433,
1305,
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][C][Branch1][C][C][C][C][Branch2][Branch1][Branch2][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=Branch1][C][=O][N][Ring2][Ring2][=Branch2] | CC1(C)CC(CCNc2nc(Nc3ccc(-c4ncc[nH]4)cc3)nc(NC(Cc3ccccc3)C(=O)N[Dy])n2)C(=O)N1 | [
2,
1890,
1496,
1274,
1820,
2810,
1363,
1279,
2208,
1287,
2020,
1280,
2027,
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][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N][=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][=N][=C][Ring2][Ring2][Branch1] | C#CCOc1cccc(CNc2nc(Nc3cc(-c4cccc(Br)c4)no3)nc(N[C@H]3CC[C@@H](C(=O)N[Dy])C3)n2)c1 | [
2,
2701,
2260,
2577,
2782,
1378,
1634,
1274,
440,
1368,
1343,
1411,
1897,
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][N][=C][Branch1][C][F][C][Branch2][Ring2][#Branch1][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S] | Cc1cnc(F)c(CNc2nc(Nc3cncnc3)nc(N3CCCC[C@H]3C(=O)N[Dy])n2)c1 | [
2,
2143,
1451,
1772,
420,
1445,
2918,
1383,
1338,
441,
1372,
1287,
1447,
1551,
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 |
[C][O][C][=C][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][N][N][C][C][Branch1][C][C][S][Branch1][C][C][=O][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][S][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2] | COc1cc(Nc2nc(NCC(C)S(C)=O)nc(NCC3(N(C)C)CCSC3)n2)c(C(=O)N[Dy])c(OC)c1 | [
2,
1423,
1573,
1565,
1527,
1761,
2185,
1390,
1431,
1313,
1337,
1329,
1447,
1756,
427,
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][C][Branch2][=Branch1][Ring2][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][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][N] | C=C1CCC(CNc2nc(Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nc(Nc3cc(-n4cccn4)ccc3C(=O)N[Dy])n2)CC1 | [
2,
1275,
1313,
2196,
420,
1927,
2876,
1484,
1317,
1345,
1317,
1577,
421,
1398,
1290,
1536,
1274,
1300,
424,
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][C][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][=N][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][Ring2][Ring1][=Branch1][N][Dy] | O=C(C[C@@H](Cc1cccc(F)c1)Nc1nc(NCC2CCCC2)nc(Nc2cc(C3CC3)[nH]n2)n1)N[Dy] | [
2,
2668,
1483,
1713,
423,
425,
2270,
1712,
1445,
2265,
1386,
1314,
2063,
1803,
428,
1784,
424,
435,
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][N][Branch2][Ring2][=C][C][C][N][C][=N][C][Branch1][O][N][C][C][C][S][C][C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring1] | CC1=CCN(CCNc2nc(NCCC3SCCS3)nc(N[C@@H](Cc3cccs3)C(=O)N[Dy])n2)CC1 | [
2,
1349,
424,
1514,
1274,
1429,
2349,
1530,
1361,
1518,
1326,
1357,
433,
1463,
1287,
1355,
1274,
1995,
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][Branch1][C][C][C][Branch2][Ring2][N][N][C][=N][C][Branch1][=C][N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][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][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | CCC(C)C(Nc1nc(NCc2n[nH]c(=O)n2C)nc(NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1)C(=O)N[Dy] | [
2,
1620,
1549,
1358,
1370,
2080,
1372,
1378,
2983,
1541,
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][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][C][C][C][C][Ring2][Ring1][=C] | O=C(N[Dy])C1(Nc2nc(NCCCc3cc(=O)[nH][nH]3)nc(Nc3cncnc3)n2)CCCCC1 | [
2,
2668,
1311,
424,
435,
420,
1910,
1951,
2862,
1636,
2918,
1447,
1547,
1413,
421,
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][=N][C][C][Branch2][Branch1][S][N][C][=N][C][Branch2][Ring1][N][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring2][Ring1][C][C][C][C][C][Ring2][Ring2][#Branch2][N][Dy] | O=C(CC1(Nc2nc(NCC3(c4ccc5c(c4)OCO5)CCCCC3)nc(Nc3cc(C(F)(F)F)cnc3Cl)n2)CCCCC1)N[Dy] | [
2,
2668,
1487,
425,
1274,
2150,
2194,
1711,
433,
1473,
2110,
2338,
1274,
1441,
438,
1937,
2250,
1670,
437,
1490,
1547,
2471,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
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
] | 25 |
[C][C][S][C][C][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S] | CCSCCNc1nc(NCc2cccc3c2OCO3)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(Br)cc2)n1 | [
2,
1274,
1666,
1340,
2902,
1466,
1518,
1407,
1357,
1323,
1325,
1424,
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][F][C][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][Ring2][Ring2][=Branch2] | Cc1cnc(F)c(CNc2nc(NCCC(=O)NC3CCCC3)nc(N[C@@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)c1 | [
2,
2143,
1451,
2378,
1685,
2899,
1512,
1697,
433,
1357,
1301,
2218,
1339,
433,
2690,
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][=C][C][Branch2][Branch1][S][O][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2][=C][C][=N][Ring2][Ring2][O] | CNC(=O)c1cc(Oc2ccc(Nc3nc(Nc4cc(C#N)ccn4)nc(N[C@H](C(=O)N[Dy])c4ccc(OC)cc4)n3)cc2)ccn1 | [
2,
420,
1881,
2150,
1495,
1449,
2636,
1420,
2254,
2438,
1411,
2162,
1305,
2495,
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][=N][C][Branch1][C][Cl][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1][Cl] | O=C(N[Dy])c1nc(Cl)cc(Nc2nc(NCc3ccc4ccccc4n3)nc(Nc3ccc4c(c3)CNCC4)n2)c1Cl | [
2,
2668,
1311,
424,
435,
420,
1603,
1305,
1458,
1366,
2799,
2449,
2959,
1411,
1897,
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][Branch2][Branch1][#Branch1][C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C][=N][C][=C][NH1][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C][N][Dy] | O=C(Cc1ccc(Nc2nc(NCc3ncc[nH]3)nc(Nc3n[nH]c4cc(Cl)ccc34)n2)cc1)N[Dy] | [
2,
2668,
1483,
1357,
1573,
2516,
2147,
2508,
2342,
1403,
1720,
438,
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 |
[C][C][O][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][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][Ring2][Ring1][N][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCc3cncc(Br)c3C)nc(NCc3noc4ccc(F)cc34)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1491,
1364,
2036,
2376,
1361,
1370,
2235,
2101,
1309,
2162,
1290,
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][Branch2][Branch1][O][C][=C][S][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=Branch1][C][=O][NH1][NH1][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F][=N][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1] | O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCCCc4cc(=O)[nH][nH]4)nc(NCC4CC5(C4)CC5(F)F)n3)n2)cc1 | [
2,
2668,
1311,
424,
435,
1286,
1704,
1275,
1337,
1491,
1951,
2862,
1361,
2937,
1355,
1424,
2446,
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 |
[N][#C][C][=N][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][#C][N][C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][Br][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1ncc(Nc2nc(NCc3c(Br)cncc3Br)nc(N[C@H](Cc3ccccc3Cl)C(=O)N[Dy])n2)cc1C(F)(F)F | [
2,
424,
1336,
1433,
1481,
1364,
3012,
1406,
1634,
423,
1521,
437,
1339,
1882,
1284,
1661,
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][S][=Branch1][C][=O][C][C][Branch1][C][O][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][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#C] | CS(=O)CC(O)CNc1nc(Nc2ncc([N+](=O)[O-])cn2)nc(N[C@@H](CC(=O)N[Dy])c2cccc(Cl)c2Cl)n1 | [
2,
420,
2651,
1488,
1366,
1401,
1605,
1918,
1466,
1518,
1407,
1473,
1309,
1430,
437,
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][C][C][Branch2][Branch1][S][C][N][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][C][Branch1][P][N][C@H1][C][=C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | CC(C)(CNc1nc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2)nc(N[C@H]2C=C[C@@H](C(=O)N[Dy])C2)n1)C(=O)N1CCCC1 | [
2,
1526,
1306,
1337,
2187,
1931,
422,
1331,
1623,
1274,
422,
1318,
2146,
1378,
1634,
1275,
440,
1368,
1343,
1490,
420,
2014,
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 |
[O][=C][N][C][Branch2][=Branch1][Ring1][C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][#C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][#Branch1][C][O][Ring2][Ring2][=N] | O=C1NC(Cc2ccc(Nc3nc(NCCN4CC5CCC4C5)nc(N[C@@H](Cc4csc5ccccc45)C(=O)N[Dy])n3)cc2)CO1 | [
2,
2668,
1279,
2463,
1357,
1516,
1489,
1540,
2255,
1484,
1697,
438,
1319,
433,
1286,
1568,
1372,
1287,
1424,
2324,
1310,
1300,
425,
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][Branch1][C][C][C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | CC(C)CC(Nc1nc(NCCNS(=O)(=O)c2ccn(C)c2)nc(Nc2cccc(F)n2)n1)C(=O)N[Dy] | [
2,
1890,
1458,
2084,
424,
1436,
1319,
424,
1648,
1409,
1342,
1301,
1417,
1504,
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][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][#C] | O=C(N[Dy])c1cnn(-c2ccc(F)cc2)c1Nc1nc(Nc2cc(-c3cccc(Br)c3)no2)nc(Nc2cc(F)c(F)cc2[N+](=O)[O-])n1 | [
2,
2668,
1311,
424,
435,
1274,
1385,
423,
1303,
2118,
2083,
2577,
2782,
1937,
2941,
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][Branch2][Branch1][#Branch1][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][N][C][C][C][Ring1][Ring2] | CC(CNc1nc(Nc2ccc3nccnc3c2)nc(N[C@H](CC(=O)N[Dy])Cc2ccc(F)cc2)n1)N1CCC1 | [
2,
1274,
2414,
2005,
2261,
1466,
1634,
1407,
1357,
1515,
1424,
2696,
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][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=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][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][N] | O=C(N[Dy])[C@@H](Cc1ccc(F)c(F)c1)Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2cc(Cl)cnc2Cl)n1 | [
2,
2668,
1311,
424,
435,
440,
423,
433,
1357,
1301,
2218,
2484,
1436,
1377,
1419,
2491,
1658,
1480,
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][Branch2][Ring2][S][N][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][Branch1][=C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=N][N][Ring2][Ring2][C][C] | Cc1cc(Nc2nc(NCCc3nnc4c(=O)[nH]ccn34)nc(N3CSC[C@H]3C(=O)N[Dy])n2)nn1C | [
2,
1349,
1491,
1354,
2273,
2266,
2275,
2502,
1337,
441,
1463,
1287,
1480,
1385,
1300,
1274,
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][O][C][C][N][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | CCC1COCCN1CCNc1nc(NCCc2nccc(C3CC3)n2)nc(N[C@H](Cc2cc(F)cc(F)c2)C(=O)N[Dy])n1 | [
2,
1399,
1307,
1917,
1274,
2419,
2126,
2063,
1918,
1512,
1634,
423,
433,
1349,
1982,
1339,
439,
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][Branch1][C][F][C][Branch2][Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] | Cc1ccc(F)c(Nc2nc(NCC(C)Oc3ccc(Cl)cc3)nc(N3CCC[C@@]3(C)C(=O)N[Dy])n2)c1 | [
2,
1357,
1451,
1481,
2593,
1495,
1470,
1735,
1611,
427,
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][C][C][C@H1][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][#Branch1][N][C][C][C][C][F][=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][Ring2][Ring1][#Branch2][C][Ring2][Ring1][S] | O=C(N[Dy])[C@@H]1CC[C@H](Nc2nc(NCCCCF)nc(NCC3(N4CCOCC4)CCOCC3)n2)C1 | [
2,
2668,
1311,
424,
435,
440,
1274,
1400,
436,
2130,
3001,
2358,
1623,
1785,
1410,
2613,
1413,
433,
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@@H1][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][N][Branch1][Ring1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][Branch1][O][N][C][C][Branch1][C][C][O][C][C][=C][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC[C@@H](Nc1nc(NCCCN(CC)S(C)(=O)=O)nc(NCC(C)OCC=C)n1)C(=O)N[Dy] | [
2,
1595,
1543,
2286,
424,
1929,
1444,
1476,
1527,
1456,
1541,
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][Branch2][Branch1][=Branch2][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][O] | COc1cc(CNc2nc(NCC3CCCC4(CCC4)C3O)nc(Nc3c(C)cc(C)cc3C(=O)N[Dy])n2)c2ccccc2n1 | [
2,
1423,
2378,
1359,
2768,
2088,
438,
421,
1473,
1308,
2495,
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][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | Cc1cc([N+](=O)[O-])c(Cl)cc1Nc1nc(NCc2noc3ccc(F)cc23)nc(Nc2cc(Cl)ncc2C(=O)N[Dy])n1 | [
2,
1349,
1448,
1649,
1346,
2161,
2235,
1361,
1686,
425,
1325,
1339,
421,
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][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=N][C][Branch1][N][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][=N][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][N][Dy] | Cc1cccc(Nc2nc(NCCOc3cccnc3)nc(NCc3ccnc(N4CCOC(C)C4)c3)n2)c1C(=O)N[Dy] | [
2,
2270,
1449,
1610,
1495,
1414,
1466,
1434,
2684,
1921,
1312,
1641,
2050,
1668,
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][NH1][C][Branch2][=Branch1][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][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring2][#Branch1][=N][C][Ring2][Ring2][=N][=C][Ring2][Ring2][P] | O=C(N[Dy])c1ccc2[nH]c(Nc3nc(NCCn4cnc5ccsc5c4=O)nc(Nc4ccc(N5CCC=C(N6CCOCC6)C5=O)cc4)n3)nc2c1 | [
2,
2668,
1311,
424,
435,
1286,
1373,
2320,
1415,
1324,
1319,
1992,
2258,
1874,
2874,
1719,
1276,
1300,
425,
1328,
439,
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][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][C][=C][C][Branch2][Ring2][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring2][Ring2] | CCNS(=O)(=O)c1ccc(-c2cccc(C3(C(=O)N[Dy])CCN(C(=O)C4CCCN(C(=O)N(C)C)C4)CC3)c2)c(C)c1 | [
2,
1274,
424,
1436,
1286,
1496,
1473,
1304,
1279,
1302,
1274,
424,
1283,
428,
1499,
1399,
424,
1722,
2192,
1274,
422,
1307,
427,
1312,
1551,
1276,
1288,
1844,
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][O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch1][P][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][=N][Ring2][Ring1][=N] | COc1cccc(C(=O)N[Dy])c1Nc1nc(NCc2nnc3n2CCOCC3)nc(Nc2nc3nc[nH]c3c(=O)[nH]2)n1 | [
2,
1702,
1366,
3006,
1829,
2108,
1524,
1494,
1344,
1411,
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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][O][N][=Ring1][Branch1][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Branch1] | O=C(N[Dy])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1c1nc(NCc2ccon2)nc(Nc2nccnc2Cl)n1 | [
2,
2668,
1311,
424,
435,
440,
1715,
1463,
1278,
440,
1715,
1463,
1636,
2350,
2331,
1954,
2856,
2127,
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 |
[N][#C][C][=C][C][=C][C][Branch2][Branch1][P][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][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][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][=C][Ring2][Ring2][O] | N#Cc1cccc(C[C@H](CC(=O)N[Dy])Nc2nc(NCCS(=O)(=O)C3CCOCC3)nc(Nc3ccc([N+](=O)[O-])c(F)c3)n2)c1 | [
2,
424,
438,
1473,
2091,
1674,
1407,
1706,
2991,
1671,
2972,
1411,
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][O][C][=C][N][=C][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring2] | COc1cncc(Nc2nc(Nc3cc(F)c(F)cc3C(=O)N[Dy])nc(Nc3ccc(F)c(Cl)c3F)n2)n1 | [
2,
2630,
1493,
2577,
1981,
1290,
1378,
2925,
1411,
1536,
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][Branch1][C][C@@H1][Branch2][Branch1][#Branch2][N][C][=N][C][Branch1][O][N][C][C][C][=C][S][C][=Ring1][Branch1][Br][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#C] | N#Cc1ccc(C[C@@H](Nc2nc(NCc3ccsc3Br)nc(Nc3ccc(N4CCC=C(N5CCOCC5)C4=O)cc3)n2)C(=O)N[Dy])cc1 | [
2,
424,
438,
1286,
1487,
1284,
440,
1538,
1775,
1275,
1682,
443,
1874,
2874,
2004,
1327,
438,
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 |
[N][#C][C][=C][C][=C][Branch2][Branch1][S][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][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][Ring2][C][N][=C][Ring2][Ring2][#Branch2] | N#Cc1ccc(CNc2nc(NCC3CCN(c4ccncc4)CC3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)nc1 | [
2,
424,
438,
1286,
1306,
1337,
1416,
2915,
1656,
1599,
1437,
421,
1302,
433,
1724,
1597,
1611,
436,
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][O][C][=C][C][=N][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][C][=C][Ring1][#Branch2][Br][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1] | CCOc1ccnc(Nc2nc(NCc3cc4c(cc3OC)OCO4)nc(Nc3cc(C(=O)N[Dy])ccc3Br)n2)c1 | [
2,
1561,
1276,
1516,
1947,
1297,
1333,
1294,
1294,
1809,
1766,
1584,
443,
2050,
426,
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][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][=N][C][Branch2][Ring1][#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][Ring1][P][=N][N][=C][Ring2][Ring2][Branch2][Cl] | Cc1cc(Nc2nc(NCc3cccc(-n4ccnn4)c3)nc(Nc3cc(C(=O)N[Dy])ccc3C(=O)O)n2)nnc1Cl | [
2,
1349,
1538,
1354,
1563,
1345,
1318,
2245,
1376,
1408,
1317,
1584,
1499,
429,
1439,
425,
1611,
428,
437,
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][Branch2][Ring2][=N][N][C][=N][C][Branch1][=N][N][C][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | COC(=O)CC(Nc1nc(NCC#Cc2cccnc2)nc(NCC(O)COc2ccccc2Br)n1)C(=O)N[Dy] | [
2,
1613,
1542,
1610,
438,
1687,
1749,
1488,
2077,
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][N][Branch1][C][C][C][Branch2][Branch1][Branch1][C][N][C][=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][C][Branch1][=N][N][C][=C][C][Branch1][C][O][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | CN(C)C(CNc1nc(Nc2cc(C(=O)O)cc(C(=O)N[Dy])c2)nc(Nc2cc(O)ccn2)n1)c1ccco1 | [
2,
1633,
1332,
2307,
1598,
1317,
1497,
1278,
429,
1570,
1641,
1851,
1511,
1987,
1289,
1303,
1639,
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][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][P] | Cc1c(Br)cncc1CNc1nc(NCCN2C(=O)c3ccccc3S2(=O)=O)nc(Nc2cc(Br)cnc2C(=O)N[Dy])n1 | [
2,
1853,
420,
2279,
1502,
2852,
1766,
1469,
1446,
1339,
439,
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][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][Ring2][Ring1][#Branch1] | C=C(C)C(=O)NCCNc1nc(Nc2c(Br)cccc2C(=O)N[Dy])nc(NC2COC2)n1 | [
2,
2401,
1464,
1359,
1318,
1323,
1525,
1290,
1833,
2379,
1557,
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][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][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][=C] | COc1cc(C#N)c(F)cc1Nc1nc(NCc2ncccc2N(C)C)nc(NCC2(CC(=O)N[Dy])CCCCC2)n1 | [
2,
1423,
2367,
1301,
1568,
1827,
1405,
1680,
2580,
1407,
1547,
1419,
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 |
[N][#C][C][=C][C][Branch2][Branch1][N][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][=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][=C][C][=C][Ring2][Ring2][Branch2][Cl] | N#Cc1cc(Nc2nc(NCCNC(=O)c3ccc(Cl)cc3)nc(Nc3ccc(C(=O)N[Dy])c(C(=O)O)c3)n2)ccc1Cl | [
2,
424,
438,
1293,
1789,
1631,
1787,
1470,
1484,
1303,
1368,
1497,
1278,
429,
1641,
1439,
1882,
428,
437,
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][C][S][C][Branch2][Branch1][Ring1][N][C][=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][C][Branch1][=C][N][C][=N][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring1] | O=C1CSC(Nc2nc(Nc3cc(C(=O)N[Dy])ccc3C(=O)O)nc(Nc3ncc(Cl)nc3Cl)n2)=N1 | [
2,
429,
1305,
1337,
1449,
1624,
1317,
1584,
1499,
429,
2060,
2229,
1411,
1490,
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][=Branch1][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=N][Ring2][Ring1][#C][N][Dy] | O=C(C[C@H](Cc1ccc(F)cc1)Nc1nc(NCCc2c[nH]c3cc(Cl)ccc23)nc(Nc2cccc(-n3cncn3)c2)n1)N[Dy] | [
2,
2668,
1487,
1277,
441,
423,
2029,
1515,
2374,
2938,
2572,
1986,
1376,
1394,
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][N][Branch2][Ring2][S][C][C][N][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=N][C][C][C][N][=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][#Branch2][C][C][C][O][C][C][Ring1][=Branch1] | CN(CCNc1nc(NC(=N)CCCN)nc(Nc2c(Cl)cc(Cl)nc2C(=O)N[Dy])n1)C1CCOCC1 | [
2,
1633,
1491,
1274,
1445,
3009,
1418,
1309,
2520,
1625,
1339,
436,
1991,
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][=Branch1][C][=O][C][Branch1][C][O][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][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] | CNC(=O)C(O)CNc1nc(NCC2CCC(C(=O)N[Dy])CC2)nc(NCC2CS(=O)(=O)c3ccccc32)n1 | [
2,
2528,
1488,
1359,
1540,
1302,
2232,
1353,
1331,
1436,
1377,
1419,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=N][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2] | O=C(N[Dy])C(CC1CCCCC1)Nc1nc(Nc2cnc(Br)cn2)nc(Nc2n[nH]c3cc(F)ccc23)n1 | [
2,
2668,
1311,
424,
435,
420,
1388,
1399,
1313,
1308,
1374,
2997,
2508,
1301,
2064,
1375,
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][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][#Branch2][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][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][#Branch2] | COc1nccc(C(=O)N[Dy])c1Nc1nc(NCc2cccnc2)nc(NCc2cccc(C(F)(F)F)c2)n1 | [
2,
1709,
1429,
1764,
1406,
1563,
1468,
1369,
1355,
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 |
[C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][Branch2][Branch1][#Branch1][C][C][C][N][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=N][C][=C][Ring2][Ring2][=Branch2][C][C][C][C][Ring1][=Branch1] | Cn1ccnc1Cn1c(CCCNc2nc(NCCNC(=O)c3cnccn3)nc(N[C@H](Cc3ccccc3Cl)C(=O)N[Dy])n2)nc2c1CCCC2 | [
2,
420,
1318,
1955,
1279,
1483,
1313,
2304,
2023,
1622,
1406,
1634,
423,
1521,
437,
1339,
433,
425,
1959,
1399,
1308,
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][O][C][=C][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C][C][=N][O][C][=C][Ring1][Branch1][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring1][P][O][C] | COc1cc(Nc2nc(NCc3nocc3C)nc(Nc3ccc(F)nc3)n2)c(C(=O)N[Dy])cc1OC | [
2,
1423,
2041,
1429,
1370,
429,
1669,
2303,
2344,
1784,
421,
1302,
2619,
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 |