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][O][C][=C][C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=N][Ring2][Ring2][Ring2][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#C][O][C] | COc1cc(Nc2nc(NCc3cccnc3N3CCC(C(N)=O)CC3)nc(Nc3ccc(N4CCOCC4)cn3)n2)c(C(=O)N[Dy])cc1OC | [
2,
1423,
1861,
1894,
1764,
1331,
2259,
1671,
2769,
1536,
1804,
438,
1294,
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][Ring2][=N][C][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=N][C][Branch1][#C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][P] | Cc1cccc(CCCNc2nc(Nc3cc(C#N)ccn3)nc(NC3(C(=O)N[Dy])CC3)n2)n1 | [
2,
2270,
1542,
1313,
2636,
1420,
2254,
1383,
1279,
1302,
1520,
1447,
1439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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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][O][N][C][C][S][C][=C][C][=Ring1][Branch1][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][O] | COc1cc(F)c(Cl)cc1Nc1nc(NCc2sccc2C)nc(NCC2(CC(=O)N[Dy])CCCCC2)n1 | [
2,
1423,
2461,
1362,
1775,
2031,
2580,
1407,
1547,
1419,
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][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2] | COC(=O)c1cc(Cl)ccc1Nc1nc(NCC(O)COc2cccc(Cl)c2Cl)nc(N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[Dy])n1 | [
2,
1621,
1478,
1325,
1997,
2930,
1656,
1634,
423,
2030,
1448,
1568,
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][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=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][Ring1][N] | Cc1cc(O)ccc1Nc1nc(NCC2(OCCO)CCC2)nc(Nc2c(C)cccc2C(=O)N[Dy])n1 | [
2,
1349,
2566,
1325,
1489,
423,
2233,
1688,
1930,
424,
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][N][C][=Branch1][C][=O][C][O][C][C][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][C][Branch1][C][C][C][=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][Ring2][#Branch1] | CNC(=O)COCCNc1nc(Nc2nc3ccccc3c3c2ncn3CC(C)C)nc(N[C@@H](C/C=C/c2ccccc2)C(=O)N[Dy])n1 | [
2,
2528,
1307,
1927,
1936,
1346,
1315,
424,
422,
1632,
1353,
1697,
2742,
445,
421,
1522,
1287,
1719,
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][=C][C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=C][S][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][C][O][C][C][O][C][Ring1][#Branch1][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][N][=C][Ring2][Ring2][C][N][Dy] | O=C(COc1cccc(-c2csc(Nc3nc(NCC4(CO)CCOC4)nc(Nc4cncnc4)n3)n2)c1)N[Dy] | [
2,
2668,
1306,
1305,
2921,
1491,
1275,
1337,
2041,
2592,
2271,
1636,
2918,
1784,
1821,
1633,
435,
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,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][O][=C][Ring2][Ring2][=Branch1] | COC(=O)c1ccc(C(=O)N[Dy])c(Nc2nc(NCCC(=O)NCc3ccncc3)nc(Nc3cc(Cl)ncn3)n2)c1 | [
2,
1642,
1542,
2479,
2191,
2614,
2371,
2396,
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][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=N][Ring1][#Branch2][=N][C][Branch1][P][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][O] | Cc1cc(Cl)ncc1Nc1nc(Nc2ccc([N+](=O)[O-])c(C)n2)nc(NC2(C(=O)N[Dy])CCCC2)n1 | [
2,
1763,
425,
1325,
1770,
1605,
2382,
1689,
1302,
2538,
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][Branch2][Branch1][Ring2][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][Ring2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][#C][C][C][C][Branch1][=Branch1][C][C][Ring2][Ring2][#Branch1][O][C][C][O][Ring1][#Branch1] | CC1(CNc2nc(NCCS(=O)Cc3ccccc3)nc(N[C@@H](CC(=O)N[Dy])Cc3cccs3)n2)CCC2(CC1)OCCO2 | [
2,
1274,
2395,
1492,
1391,
1755,
1363,
1518,
1407,
1357,
1530,
1394,
1313,
1390,
1274,
2111,
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][N][C][=N][C][Branch2][Ring1][Ring1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][C][Ring1][=Branch2][=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][S][C][Branch1][Ring1][C][O][=C][Ring2][Ring2][=Branch2] | Cc1ccc(Nc2nc(Nc3sc4c(c3C#N)CCCC4)nc(N[C@H](CC(=O)N[Dy])c3ccc(Br)cc3)n2)c(CO)c1 | [
2,
1357,
1510,
1359,
2721,
1408,
1634,
1407,
1286,
1323,
1325,
2157,
2559,
2690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][S][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][N] | Cc1cc(Br)c(C(=O)N[Dy])cc1Nc1nc(NCCS(=O)(=O)c2ccc(Cl)cc2)nc(NCC(C)OC(C)(C)C)n1 | [
2,
1828,
2084,
1436,
2716,
1386,
1527,
1650,
1480,
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][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][P][N][C][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring1][N][Cl][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][F] | CNC(=O)c1ccc(Nc2nc(NCC34CCCC(CO3)C4)nc(Nc3c(Cl)c(Cl)nc(C(=O)N[Dy])c3Cl)n2)cc1F | [
2,
420,
1787,
1496,
2575,
2290,
1484,
1318,
1501,
1309,
1276,
1302,
1472,
437,
1379,
2665,
432,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][=C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=N][C][Branch2][Ring2][C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][P][=C][Branch1][C][C][S][Ring2][Ring2][=Branch2] | Cc1cc(CNc2nc(Nc3ccncc3Cl)nc(N[C@H](CC(=O)N[Dy])Cc3c(F)c(F)c(F)c(F)c3F)n2)c(C)s1 | [
2,
1349,
2485,
1429,
2889,
1276,
1304,
1633,
441,
1407,
1319,
1301,
2343,
1301,
2969,
432,
1439,
2695,
2027,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][Ring1][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch1][O] | COC(=O)c1ccc(Nc2nc(Nc3nc4ccc(C#N)cc4s3)nc(Nc3cc(Br)c(Cl)cc3C(=O)N[Dy])n2)cc1O | [
2,
1554,
1496,
1359,
1725,
1863,
1919,
1773,
1469,
1309,
1455,
438,
2446,
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][Branch1][C][F][C][=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][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][N] | COc1c(F)ccc(C(=O)N[Dy])c1Nc1nc(Nc2ccc3c(c2)C(O)CCC3)nc(Nc2nc3ccccc3o2)n1 | [
2,
1714,
1416,
1736,
2823,
2442,
1809,
1480,
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][=N][N][=C][Branch2][Branch1][=N][C][C][C][N][C][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][=C][S][Ring1][#C][=N][C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring2][Ring1][S][S][Ring2][Ring2][=Branch2] | Cc1nnc(CCCNc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3nc4c(s3)COCC4)n2)s1 | [
2,
1274,
1757,
1861,
1313,
1927,
1366,
1286,
1593,
1560,
422,
438,
2390,
2345,
1424,
433,
2027,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][S][C][=N][C][=C][Branch2][Ring2][P][N][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][S][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch2] | CSc1ncc(Nc2nc(NCc3cn4cc(Cl)ccc4n3)nc(NCc3c[nH]c4ccccc34)n2)c(C(=O)N[Dy])n1 | [
2,
1747,
1458,
2500,
2426,
1386,
1314,
2804,
1460,
1302,
1865,
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][N][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch1] | COc1cncc(Nc2nc(Nc3ccc(F)cc3OC)nc(N[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N[Dy])n2)c1 | [
2,
2630,
1483,
2007,
1515,
1294,
1512,
1634,
423,
433,
1357,
1501,
1771,
1339,
438,
2655,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch2][Branch1][=N][N][C][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][P][C][=C][C][=N][NH1][Ring1][Branch1] | O=C(NCCNc1nc(NCc2c(F)cccc2N2CCCC2)nc(N2[C@H](C(=O)N[Dy])C[C@@H]3CCCC[C@@H]32)n1)c1ccn[nH]1 | [
2,
2668,
1861,
1285,
1416,
2833,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
1439,
1293,
1871,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[O][=C][Branch2][Branch1][S][C][C][Branch2][Ring2][S][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Dy] | O=C(CC(Nc1nc(NCc2nc3c(s2)CCCC3)nc(NCC2Cc3ccccc3C2)n1)c1ccc(Br)cc1)N[Dy] | [
2,
2668,
1306,
1666,
1491,
2547,
2418,
2181,
1978,
1343,
1289,
2926,
1325,
424,
435,
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][#Branch1][C][C@H1][Branch2][Branch1][N][N][C][=N][C][Branch1][P][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#C] | N#Cc1ccc(C[C@H](Nc2nc(NCc3cc(=O)c(O)co3)nc(NCc3ccc(N4CCOCC4)cc3C(F)(F)F)n2)C(=O)N[Dy])cc1 | [
2,
424,
438,
1286,
1487,
431,
1674,
1789,
2136,
1691,
2566,
429,
1329,
1699,
1367,
1623,
1291,
1279,
1661,
2004,
1327,
438,
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][O][C][Branch1][C][C][Branch2][Branch1][#Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][C][Branch1][C][O][C][C][C][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][Ring1][#C][O][C] | COC(C)(CCNc1nc(NCCC(O)C2CCCC2)nc(N[C@@H](CC(=O)N[Dy])Cc2ccc(F)cc2)n1)OC | [
2,
1330,
1288,
1483,
1274,
1958,
1569,
1985,
1466,
1518,
1407,
1357,
1515,
1394,
1294,
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][=Branch1][C][=O][C][C][C][O][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][O][C][C][Ring1][#Branch1][=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][=C][C][Ring2][Ring2][Branch1] | NC(=O)CC1COC(CNc2nc(NCCc3nc4c(s3)COCC4)nc(Nc3cc(F)ccc3C(=O)N[Dy])n2)C1 | [
2,
1387,
1313,
1294,
2260,
1359,
2815,
1766,
2360,
1339,
1305,
2082,
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][N][C][=Branch1][C][=O][C][O][C][C][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][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | CNC(=O)COCCNc1nc(NCc2noc(C3CCOCC3)n2)nc(N2CCCC[C@@H]2C(=O)N[Dy])n1 | [
2,
2528,
1307,
2432,
2759,
1383,
1338,
440,
1372,
1287,
1411,
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][Branch2][Branch1][=C][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=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][C][C][=Branch1][C][=O][N][Dy] | COC(=O)CC(Nc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1)C(=O)N[Dy] | [
2,
1613,
1948,
1364,
1342,
1836,
1762,
1874,
2135,
1506,
1410,
1332,
2004,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][N][C][=C][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | Cn1ccnc1Nc1nc(NCc2cc(F)cc(F)c2)nc(N[C@@H](CC2CC2)C(=O)N[Dy])n1 | [
2,
420,
2650,
2136,
1982,
1378,
1518,
1297,
2688,
1339,
436,
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][S][C][C][N][C][=N][C][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][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][P] | C=CCSCCNc1nc(NCCOc2cccnc2)nc(N[C@H](CC(=O)N[Dy])Cc2ccc([N+](=O)[O-])cc2)n1 | [
2,
1293,
1666,
1610,
1495,
1414,
2155,
1634,
1407,
1357,
1448,
1568,
1439,
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][Branch1][S][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Branch1][C][Cl][C][Branch1][C][Br][=C][Ring1][N][F][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch1] | Cc1cc(F)cc(Nc2nc(Nc3ncc([N+](=O)[O-])s3)nc(Nc3c(C(=O)N[Dy])cc(Cl)c(Br)c3F)n2)c1 | [
2,
1349,
1647,
1483,
1340,
1401,
3025,
1484,
1318,
1302,
1275,
1501,
1323,
1472,
432,
1411,
1897,
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@@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][Branch2][Ring1][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][Ring2][Ring1][N] | C#CC[C@@H](CC(=O)N[Dy])Nc1nc(Nc2ccc([N+](=O)[O-])c(F)c2)nc(Nc2cc(=O)n(C)c(=O)n2C)n1 | [
2,
1589,
1770,
2972,
2134,
1924,
1280,
1819,
1480,
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 |
[N][#C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][=N][C][Branch2][Ring1][C][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][Branch1][Cl] | N#Cc1cc(Nc2nc(Nc3nc(-c4ccc(Cl)cc4)cs3)nc(N[C@@H](C(=O)N[Dy])C3CCCC3)n2)ccc1Cl | [
2,
424,
438,
1293,
1483,
1454,
2262,
1470,
1989,
1371,
1518,
1302,
1547,
1316,
1379,
1882,
423,
437,
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][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring2][=C][C][N][C][=N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=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][=Branch2][S][Ring2][Ring1][S] | CC(C)(C)c1nnc(CNc2nc(Nc3nccs3)nc(Nc3cc(Cl)nc(C(=O)N[Dy])c3Cl)n2)s1 | [
2,
1482,
420,
1757,
1304,
1305,
1599,
2203,
1353,
1686,
1276,
1302,
1376,
437,
1375,
433,
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][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=N][C][Branch1][O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | Cn1nccc1CNc1nc(Nc2sccc2C#N)nc(N[C@@H](Cc2ccc(Br)cc2)C(=O)N[Dy])n1 | [
2,
1633,
1315,
1669,
1429,
1279,
2031,
448,
2033,
1323,
1325,
1339,
424,
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][Branch1][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=N][N][Ring2][Ring2][Ring2][C] | Cc1cc(Nc2nc(NCC(C)(C)C(=O)N3CCCC3)nc(Nc3cc(Cl)ccc3C(=O)N[Dy])n2)nn1C | [
2,
1349,
1483,
1997,
1632,
2014,
2694,
1325,
1339,
421,
1385,
1996,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][N][C][=C][Branch2][Ring2][P][C][N][C][=N][C][Branch1][O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Branch1][=O] | Cn1cc(CNc2nc(Nc3sccc3C#N)nc(N[C@@H](Cc3ccc(Br)cc3)C(=O)N[Dy])n2)c(=O)[nH]c1=O | [
2,
420,
1318,
2635,
1429,
1279,
2031,
448,
2033,
1323,
1325,
1339,
1387,
1373,
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 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][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][S][N][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][Ring1][=Branch2][=N][Ring2][Ring1][N] | O=C(N[Dy])c1cc([N+](=O)[O-])ccc1Nc1nc(NCCOC2CCS(=O)(=O)C2)nc(NCC2CCCn3ccnc32)n1 | [
2,
2668,
1311,
424,
435,
1293,
2661,
1568,
1341,
2733,
1386,
1540,
1318,
1321,
2333,
1480,
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][=N][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=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][#C] | O=C(N[Dy])c1nc(Cl)cc(Cl)c1Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2ncc(-c3ccccc3)s2)n1 | [
2,
2668,
1311,
424,
435,
420,
1603,
1305,
1771,
1971,
2890,
1361,
1401,
2347,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=C][C][=C][Branch2][Branch1][=N][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][#Branch2][Cl][=N][C][Branch2][Ring1][=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][Ring2][C][C][=C][Ring2][Ring2][=Branch2][N+1][=Branch1][C][=O][O-1] | COc1ccc(Nc2nc(Nc3cc(C(F)(F)F)cnc3Cl)nc(N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[Dy])n2)cc1[N+](=O)[O-] | [
2,
1655,
425,
2514,
2250,
1670,
437,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1322,
1319,
2027,
1381,
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][S][C][C][C][C][Ring1][Ring2][Branch1][C][O][C][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][Branch2] | CCSC1CCC1(O)CNc1nc(NC[C@@H]2CCC(=O)N2)nc(N2CCC[C@@H]2CC(=O)N[Dy])n1 | [
2,
2537,
2364,
1488,
1374,
2763,
1383,
1331,
440,
1528,
1287,
1403,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][Branch2][=Branch1][#Branch1][C][C@H1][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][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][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring2][Ring1][=N][N][Dy] | O=C(C[C@H](C/C=C/c1ccccc1)Nc1nc(NCC2CS(=O)(=O)c3ccccc32)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1)N[Dy] | [
2,
2668,
1487,
431,
1674,
423,
2742,
445,
421,
1405,
2484,
1436,
1377,
1419,
2694,
2955,
1289,
1385,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=C][C][Branch2][Branch1][N][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][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][Ring2][Branch1][=C][C][=C][Ring2][Ring2][N][O] | Cc1cc(Nc2nc(NCCCCN3C(=O)c4ccccc4C3=O)nc(N[C@@H](C/C=C/c3ccccc3)C(=O)N[Dy])n2)ccc1O | [
2,
1349,
1789,
2406,
2835,
1353,
1697,
2742,
445,
421,
1522,
1287,
1652,
1882,
424,
429,
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][Branch2][Ring1][#C][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][Branch1][C][N][C][=C][C][=N][Ring1][Branch1] | CC(CNc1nc(Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)nc(NC(CC(=O)N[Dy])c2ccc(Br)cc2)n1)Cn1cccn1 | [
2,
1274,
1487,
1277,
1298,
438,
1342,
1283,
2013,
1808,
1393,
1291,
433,
1408,
2025,
1323,
1325,
1322,
1284,
1317,
1577,
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@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][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][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][Ring2][Ring1][=C] | C#CC[C@H](CC(=O)N[Dy])Nc1nc(NCc2cn3cc(Cl)ccc3n2)nc(NC[C@@H]2CCO[C@H]2c2cn[nH]c2)n1 | [
2,
1592,
2500,
2426,
1378,
2024,
441,
1528,
2253,
1379,
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][C][Branch2][=Branch1][=Branch1][C][C][C][N][C][=N][C][Branch2][Ring1][P][N][C][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2][=N][Ring2][Ring2][=C] | Cc1cccc(CCCNc2nc(NCC(C)(CC(C)C)NC(=O)c3cc(Cl)c(Cl)[nH]3)nc(Nc3cnc(Cl)cc3C(=O)N[Dy])n2)n1 | [
2,
2270,
1487,
426,
1313,
2001,
1527,
1907,
1332,
2706,
1361,
1428,
1470,
1290,
1536,
1322,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2][=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] | COC(=O)c1ccsc1Nc1nc(Nc2cc(OC)ccn2)nc(Nc2c(C(=O)N[Dy])ccc3ccccc23)n1 | [
2,
1365,
2549,
1358,
1552,
1293,
1435,
1466,
1318,
1302,
1286,
1286,
422,
2037,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][Branch1][P][N][C@H1][C][=C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][#C] | COc1c(Cl)ncnc1Nc1nc(NCC2CC(=O)N(Cc3ccccc3)C2)nc(N[C@H]2C=C[C@@H](C(=O)N[Dy])C2)n1 | [
2,
1310,
2520,
1315,
1446,
1502,
2751,
1378,
1634,
1275,
440,
1368,
1343,
1394,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][#Branch2][N][C][=Branch1][C][=N][C][C][C][N][=N][C][Branch2][Ring1][=Branch2][N][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | C=C(C)C(=O)NCCNc1nc(NC(=N)CCCN)nc(NC(CC(=O)OC(C)(C)C)C(=O)N[Dy])n1 | [
2,
2401,
1464,
1445,
3009,
1745,
1356,
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][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])c1cccc(Br)c1Nc1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2nc(=O)[nH]cc2Br)n1 | [
2,
2668,
1311,
424,
435,
1473,
1323,
1430,
1770,
2907,
1905,
1494,
2341,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][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] | N#Cc1cccnc1Nc1nc(NC[C@@H]2CCC(=O)N2)nc(Nc2cc(C(=O)N[Dy])ccc2C(=O)O)n1 | [
2,
424,
438,
1687,
1374,
2763,
1408,
1317,
1584,
1499,
429,
1480,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][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][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=N][Ring2][Ring1][=N] | O=C(N[Dy])c1c(I)cccc1Nc1nc(NCCC2CC3(CCC3)CO2)nc(NCc2nc(-c3ccco3)n[nH]2)n1 | [
2,
2668,
1311,
424,
435,
1275,
1284,
451,
1525,
2447,
2257,
2504,
1833,
2772,
1411,
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][NH1][N][=C][Ring1][Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | COC(=O)c1c[nH]nc1Nc1nc(Nc2ccc(F)cc2C#N)nc(Nc2c(C)cc(Cl)cc2C(=O)N[Dy])n1 | [
2,
2408,
2631,
2007,
1515,
1392,
1946,
425,
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][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][C][Ring1][=Branch2][=N][C][Branch1][P][N][C@H1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][N][=C][C][=C][Ring2][Ring2][Ring1][O] | Cc1cc(Nc2nc(Nc3sc4c(c3C#N)CCCC4)nc(N[C@H]3CC[C@@H](C(=O)N[Dy])C3)n2)ccc1O | [
2,
1349,
1481,
1359,
2721,
1378,
1634,
1274,
440,
1368,
1343,
2101,
1327,
1419,
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][Branch2][Branch1][=C][C][N][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][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][Ring2][C][C][N][C][=C][C][=N][Ring1][Branch1] | CC(CNc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)nc(Nc2c(C(=O)N[Dy])ccc3ccccc23)n1)Cn1cccn1 | [
2,
1274,
1306,
1305,
1454,
1370,
2346,
1362,
2263,
1466,
1318,
1302,
1286,
1286,
422,
2037,
2527,
1317,
1577,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=N][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] | CCOC(=O)c1ncccc1Nc1nc(Nc2cc(OCC)ccn2)nc(N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[Dy])n1 | [
2,
2205,
425,
1405,
1364,
1317,
1395,
1307,
1305,
1918,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1424,
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][Branch1][C][C][C][O][C][C][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][N][=C][Ring1][#Branch2][O][C][=N][Ring2][Ring1][O] | C=C(C)COCCNc1nc(Nc2nccnc2Br)nc(Nc2c(C(=O)N[Dy])ccnc2OC)n1 | [
2,
2401,
1307,
1429,
1401,
2294,
2142,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][O][C][=C][N][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][C][=C][C][=N][O][Ring1][Branch1][=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][N][=C][Ring2][Ring1][S] | COc1cnc(Nc2nc(NCCc3ccno3)nc(Nc3ccnc(C(=O)N[Dy])c3)n2)nc1 | [
2,
2392,
1543,
1775,
2917,
1371,
2216,
1302,
1369,
1375,
1315,
1413,
433,
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][Branch2][=Branch1][Ring1][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][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C][=N][Ring2][Ring2][Ring1][C][=N][Ring2][Ring2][O] | COc1cnc(CNc2nc(Nc3cc(C(=O)O)cc(C(=O)N[Dy])c3)nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)cn1 | [
2,
2392,
1487,
2013,
1598,
1317,
1497,
1278,
429,
1570,
1641,
1512,
1721,
424,
1782,
1384,
1791,
1490,
420,
2495,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][S][C][=C][C][=Ring1][Branch1][C][=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][#Branch2][C][=C][Ring2][Ring2][C][F] | COc1c(F)cc(Nc2nc(NCc3sccc3C)nc(Nc3ccc(F)cc3C(=O)N[Dy])n2)cc1F | [
2,
1644,
1275,
1549,
1775,
2031,
1544,
1515,
1339,
436,
1327,
420,
432,
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][=O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][C][O][C][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][=Branch2][=N][C][Branch1][#C][N][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][Branch2] | CC(=O)c1ccc(C[C@H](Nc2nc(NCC3OCCc4ccsc43)nc(Nc3n[nH]c4ncccc34)n2)C(=O)N[Dy])cc1 | [
2,
1703,
1483,
1767,
424,
1340,
2865,
1383,
1324,
1373,
1660,
2337,
2377,
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][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C@@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=N][C][Branch1][N][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring2][Ring1] | COc1ccc(C(=O)N[Dy])c(Nc2nc(NCCC[C@@H]3NC(=O)NC3=O)nc(Nc3ccn(C)n3)n2)c1 | [
2,
1673,
1626,
1685,
2952,
1503,
2398,
2481,
2618,
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][Branch2][Branch1][#Branch2][C][N][C][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][=Branch1][=O] | CN1CC(CNc2nc(NCC3CCC(F)(F)CC3)nc(N[C@@H](Cc3ccc(F)c(F)c3)C(=O)N[Dy])n2)CC1=O | [
2,
420,
1285,
2465,
2458,
2837,
1512,
1697,
433,
1357,
1301,
2218,
1339,
1694,
2074,
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][O][C][=C][C][=C][C][Branch2][Branch1][S][C][C][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][N][O][N][=Ring2][Ring2][C][=C][Ring2][Ring2][Branch2] | COc1cccc(-c2cc(Nc3nc(Nc4cc(F)c(F)c(F)c4)nc(N[C@H](C(=O)N[Dy])C4CCCCC4)n3)on2)c1 | [
2,
1474,
2150,
1319,
1493,
2272,
2739,
1361,
1667,
1399,
2058,
1480,
429,
2296,
2140,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][N][N][C][=N][C][=Branch1][C][=O][C][S][Ring1][=Branch1][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring1][#C] | COc1ccc(Nc2nc(NC3=NC(=O)CS3)nc(Nc3ncc(C)s3)n2)c(C(=O)N[Dy])c1 | [
2,
1334,
2041,
2672,
3026,
1503,
1401,
1895,
2151,
2090,
1551,
438,
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][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=N][N][C][C][Branch1][C][C][N][C][C][C][Ring1][Ring2][=N][C][Branch1][N][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=O][=N][Ring2][Ring1][#Branch1] | Cc1ccc(C(=O)N[Dy])cc1Nc1nc(NCC(C)N2CCC2)nc(Nc2ncccc2C=O)n1 | [
2,
1822,
1374,
1527,
2696,
1503,
1725,
422,
1278,
1447,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][O][C][=N][C][=C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][Branch2][C][Branch1][C][F][Branch1][C][F][F] | COc1ncc(Nc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(Cl)c(Cl)c3)n2)cc1C(F)(F)F | [
2,
1330,
1433,
1789,
2474,
2277,
1675,
1656,
1518,
1407,
1357,
1501,
1771,
1439,
2140,
1437,
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][C][Branch2][=Branch1][Ring2][C][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][C][Branch2][Ring1][=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][Ring2][Ring2][=C][C][=C][Ring2][Ring2][N][O][Ring2][Ring2][#C] | CC1Cc2cc(CNc3nc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc(N[C@@H](C/C=C/c4ccccc4)C(=O)N[Dy])n3)ccc2O1 | [
2,
1274,
1349,
2196,
420,
2482,
2729,
1353,
1697,
2742,
445,
421,
1522,
1287,
1536,
1882,
424,
429,
1300,
438,
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 |
[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][Branch1][C][F][C][C][O][C][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][#Branch2] | O=C(N[Dy])C(Cc1ccccc1)Nc1nc(NCC2(F)CCOC2)nc(Nc2cccc(-n3cncn3)c2)n1 | [
2,
2668,
1311,
424,
435,
420,
1388,
1755,
1610,
2932,
2572,
1986,
1376,
1355,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][O][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][Branch1][C][C][=C][Ring1][O][C][=N][Ring2][Ring1][N][C][=Branch1][C][=O][NH1][Ring2][Ring2][=Branch1] | Cc1cc(C)c(CNc2nc(Nc3c(O)ncnc3O)nc(Nc3c(C(=O)N[Dy])ccc(C)c3C)n2)c(=O)[nH]1 | [
2,
1705,
2321,
1358,
1318,
1511,
1315,
2475,
1899,
1289,
1387,
442,
2074,
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][=C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][C] | COC(=O)c1ccc(Nc2nc(Nc3ccc(OC)c([N+](=O)[O-])c3)nc(Nc3c(I)cccc3C(=O)N[Dy])n2)cc1C | [
2,
1554,
1483,
2114,
1360,
1448,
1376,
1361,
1318,
1284,
451,
1525,
1339,
1882,
1284,
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][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C@][Branch1][Ring1][C][O][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][Ring1][O][=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][=C][C][C][C][Ring2][Ring2][Ring2] | COC1(CNc2nc(NC[C@]3(CO)COC[C@H]4CCCN43)nc(Nc3ccc(C(=O)N[Dy])cc3)n2)CCC1 | [
2,
1330,
2260,
1354,
1279,
453,
1311,
2399,
441,
1715,
422,
1382,
2391,
1593,
1379,
1313,
1996,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=Branch1][C][=O][C][N][=C][Branch2][Branch1][Branch2][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][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][Ring2][Ring1][#C][S][C][=Ring2][Ring2][Branch1][Br] | COC(=O)c1nc(Nc2nc(NCC3CCC(C(=O)N[Dy])CC3)nc(Nc3c4c(cc5c3CCC5)CCC4)n2)sc1Br | [
2,
2035,
1315,
1496,
1359,
1540,
1302,
2232,
1773,
2990,
1394,
1337,
1847,
423,
443,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C][Branch1][Ring1][O][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | CCOC(=O)c1ncccc1Nc1nc(NCC2(OC)CCC2)nc(Nc2cc(F)c(Br)cc2C(=O)N[Dy])n1 | [
2,
2205,
425,
1405,
1610,
1360,
2058,
1773,
1564,
1323,
1455,
429,
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][=N][C][Branch1][C][Cl][=N][C][Branch2][Ring2][N][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][O][C] | COc1cc2nc(Cl)nc(Nc3nc(Nc4cccc(I)c4C(=O)N[Dy])nc(Nc4nccnc4Cl)n3)c2cc1OC | [
2,
1423,
1603,
1276,
1549,
2657,
1284,
451,
1430,
1290,
1954,
2856,
1355,
1328,
1319,
2074,
1294,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=C][N][=C][Branch2][Branch1][C][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][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][=N][Ring2][Ring1][=C][C][=N][Ring2][Ring2][Branch1] | COc1cnc(Nc2nc(NC[C@@H]3CCO[C@H]3c3cn[nH]c3)nc(Nc3ccc(CC(=O)N[Dy])cc3)n2)cn1 | [
2,
2392,
1481,
1366,
2024,
441,
1528,
2253,
1544,
1407,
1398,
1967,
1652,
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][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2] | O=C(N[Dy])c1cnc(Cl)cc1Nc1nc(NCC2CC3(C2)CC3(F)F)nc(NCC2(OCCO)CCC2)n1 | [
2,
2668,
1311,
424,
435,
1537,
1470,
1359,
2937,
1383,
2510,
1688,
1355,
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][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][=C] | CCOC(=O)c1ccc(O)c(Nc2nc(NCC(c3cncn3C)N3CCCC3)nc(Nc3cc(OC)c(C(=O)N[Dy])cc3S(=O)(=O)CC)n2)c1 | [
2,
1508,
1286,
1488,
2463,
1997,
1326,
1537,
1768,
1578,
2287,
1552,
1275,
1302,
1594,
2712,
1690,
1328,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[O][=C][Branch1][C][O][C][=C][Branch1][C][I][C][Branch2][=Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][=N][Ring2][Ring2][=Branch1][=C][Branch1][C][I][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Branch1][Ring1][I] | O=C(O)c1c(I)c(Nc2nc(NCc3cc(Br)cc4cccnc34)nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)n2)c(I)c(C(=O)N[Dy])c1I | [
2,
2668,
1511,
1275,
1284,
451,
420,
2463,
1971,
1469,
1286,
1321,
1665,
2451,
1931,
422,
1331,
1623,
1274,
422,
1318,
2146,
1690,
421,
1284,
451,
2090,
421,
427,
1311,
451,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 32 |
[C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][P][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][=N][Ring2][Ring1][=C] | COc1ccc(C)nc1CNc1nc(Nc2cc(Cl)ncc2C(=O)N[Dy])nc(Nc2ccc3nccnc3c2Br)n1 | [
2,
1334,
1288,
1446,
420,
1359,
1686,
425,
1325,
1290,
2596,
2261,
443,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2] | CC(F)(F)CNc1nc(Nc2cc(Cl)ccc2F)nc(N2CCC[C@@]2(C)C(=O)N[Dy])n1 | [
2,
1274,
2000,
1358,
1614,
2387,
1735,
434,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][N][N][=C][C][=C][Ring1][Branch1][C@@H1][O][C][C][C@H1][Ring1][Branch1][C][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][S][Ring1][=N][=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][S] | Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc(N[C@@H](C(=O)N[Dy])C2CCCCC2)n1 | [
2,
1633,
1315,
1291,
423,
440,
1307,
441,
1463,
1598,
1364,
1286,
1501,
1771,
1560,
1724,
1361,
1518,
1302,
1399,
2058,
1424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][C][Branch1][C][C][Branch2][Ring2][#C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | CC(C)(CNc1nc(Nc2ccncn2)nc(N2[C@H](C(=O)N[Dy])C[C@@H]3CCCC[C@@H]32)n1)C(=O)N1CCCC1 | [
2,
1526,
2550,
1445,
2948,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
2613,
2014,
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][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][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][S][N][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][N] | Cc1cc(Br)c(C(=O)N[Dy])cc1Nc1nc(NCCOC2CCS(=O)(=O)C2)nc(Nc2nccc3cccnc23)n1 | [
2,
1828,
1341,
2733,
1386,
1725,
1926,
1308,
1480,
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][=C][C][S][C][C][N][C][=N][C][Branch1][#C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][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][=C] | C=CCSCCNc1nc(Nc2cc(OC)ccc2O)nc(N[C@H](Cc2ccc(Cl)cc2)C(=O)N[Dy])n1 | [
2,
1293,
1666,
1364,
1993,
429,
1408,
1634,
423,
2029,
1470,
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][O][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][C][=N][C][Branch1][#C][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][Ring1][Branch2][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | COc1c(Cl)ncnc1Nc1nc(NCC2(OCCO)CCC2)nc(N2CCC[C@@]2(C)C(=O)N[Dy])n1 | [
2,
1310,
2520,
1315,
1446,
1489,
423,
2233,
1688,
1735,
436,
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][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][=N][Ring2][Ring1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][#Branch1] | COc1ccc(Nc2nc(Nc3ccc4c(c3)C(=O)CCC4)nc(Nc3cccc(OC)c3F)n2)c(C(=O)N[Dy])c1 | [
2,
1334,
1481,
1416,
1736,
2908,
2318,
1382,
2454,
2633,
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][C][N][Ring1][=Branch1][C][=N][C][Branch1][P][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br][=N][C][Branch1][Branch2][N][C][C][O][C][Ring1][Ring2][=N][Ring2][Ring1][#Branch1] | O=C(N[Dy])[C@H]1CCCCN1c1nc(Nc2ccc3nccnc3c2Br)nc(NC2COC2)n1 | [
2,
2668,
1311,
424,
435,
441,
1399,
424,
1372,
2596,
2261,
443,
1833,
2379,
1557,
1447,
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][=N][C][Branch2][Ring2][N][N][C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P] | COC(=O)c1ccnc(Nc2nc(Nc3cncnc3)nc(N3Cc4ccccc4C3C(=O)N[Dy])n2)c1 | [
2,
1621,
1276,
1549,
1445,
2918,
1363,
1941,
1343,
1339,
436,
1966,
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][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][#C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][S][Ring1][S][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Ring2] | Cc1c(Br)cccc1Nc1nc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)nc(Nc2ccc(C#N)cc2C(=O)N[Dy])n1 | [
2,
1853,
1525,
1298,
438,
1354,
1286,
2278,
1398,
1560,
2166,
1671,
1863,
1290,
1536,
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][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][N][=C][Ring1][#Branch2][O][C][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2] | C#CCOc1ccc(CNc2nc(Nc3nc(-c4ccccc4C)cs3)nc(Nc3c(C(=O)N[Dy])ccnc3OC)n2)cc1 | [
2,
1831,
1334,
2375,
1354,
2355,
1275,
433,
1410,
2142,
1424,
2140,
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][Branch2][Ring2][P][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][C][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch2][=N][C][=Ring2][Ring1][P][C][Branch1][C][C][C] | Cc1sc(CNc2nc(NCC(C)OC(C)(C)C)nc(N[C@@H](C(=O)N[Dy])C3CCCC3)n2)nc1C(C)C | [
2,
1274,
1337,
2635,
2490,
1650,
1371,
1518,
1302,
1547,
1316,
1355,
2639,
2057,
420,
1332,
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][Branch1][C][N][C][=N][C][Branch1][S][N][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=N][N][Ring2][Ring2][Ring2][C] | Cc1cc(Nc2nc(NCCc3nccn3C(F)F)nc(NC(Cc3ccccc3)C(=O)N[Dy])n2)nn1C | [
2,
1349,
1481,
1685,
2317,
1350,
1363,
1279,
2208,
1287,
1379,
1385,
1996,
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][O][C][C][C][C][Branch2][Branch1][P][C][C][N][C][=N][C][Branch1][#C][N][C][C][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][C][Branch2][Ring2][C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][N] | COC1CCC(CCNc2nc(NCC3CN4CCN3CC4)nc(N[C@H](CC(=O)N[Dy])Cc3c(F)c(F)c(F)c(F)c3F)n2)CC1 | [
2,
1643,
1274,
2091,
1274,
1958,
1285,
1917,
2058,
1276,
1304,
1633,
441,
1407,
1319,
1301,
2343,
1301,
2969,
432,
1490,
1274,
1300,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][=N][C][Branch2][Ring1][=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][Ring2][Ring2] | CCOC(=O)c1c(C)csc1Nc1nc(Nc2nc(-c3ccccc3C)cs2)nc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)N[Dy])n1 | [
2,
1508,
1274,
1425,
1961,
426,
1354,
2355,
1275,
433,
1410,
1734,
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 |
[N][#C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][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][=N][C][=C][Ring2][Ring2][Ring2][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1ccc(Nc2nc(Nc3cc(Cl)c([N+](=O)[O-])cn3)nc(Nc3cccc(F)c3C(=O)N[Dy])n2)cc1C(F)(F)F | [
2,
424,
438,
1286,
1516,
1354,
1614,
2353,
1361,
1939,
1339,
425,
2162,
1437,
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][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][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][O][C][=Ring2][Ring2][Ring1][C] | Cc1nc(CNc2nc(Nc3cnc(Br)cn3)nc(Nc3cc(C(=O)N[Dy])ccc3C(=O)O)n2)oc1C | [
2,
1274,
1315,
2321,
1374,
2997,
1408,
1317,
1584,
1499,
429,
1480,
1294,
450,
2146,
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][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N] | COC(=O)c1cc(F)c(F)cc1Nc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2c(C)cc(Cl)cc2C(=O)N[Dy])n1 | [
2,
1621,
1981,
1340,
2214,
1946,
424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1
] | 8 |
[O][=C][Branch2][Branch1][=C][C][C@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=N][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][N][Dy] | O=C(C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1nc(Nc2ccnc(Cl)n2)nc(Nc2cccc3cnccc23)n1)N[Dy] | [
2,
2668,
1306,
1305,
441,
423,
2030,
1448,
1568,
1940,
3020,
1862,
1537,
1346,
1308,
1375,
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][Branch1][Ring2][C][C][=C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][=N][C][Branch1][=N][N][C][C][=N][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Dy] | C=CCC(CC=C)(Nc1nc(NCc2ccc(-c3nnn[nH]3)cc2)nc(NCc2ncc(C)o2)n1)C(=O)N[Dy] | [
2,
1602,
1500,
1947,
2971,
1409,
1612,
2603,
1504,
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][C][N][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][O][N][C@@H1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][C][=C][C][Ring2][Ring2][Branch1][=N][Ring2][Ring2][Branch2] | CCn1cc2cc(Nc3nc(Nc4ccc(F)nc4)nc(N[C@@H](Cc4ccc(C(C)=O)cc4)C(=O)N[Dy])n3)ccc2n1 | [
2,
1274,
1303,
1516,
2316,
2344,
2369,
421,
1293,
2082,
1865,
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][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=N][C][Branch1][#Branch2][N][C][C@@H1][C][C][C][O][Ring1][Branch1][=N][C][Branch1][=N][N][C][=C][N][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | O=C(N[Dy])c1cc(F)c(F)cc1Nc1nc(NC[C@@H]2CCCO2)nc(Nc2cnc(Br)cn2)n1 | [
2,
2668,
1311,
424,
435,
1293,
1981,
1445,
1498,
1845,
1316,
1409,
2997,
2127,
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 |