id large_string | sequence large_string | smiles large_string | selfies large_string | source large_string | is_natural bool | label large list | fold int64 | aaindex1 large list |
|---|---|---|---|---|---|---|---|---|
TPD9883 | FKAFKAFKAFKAFKAFKAFKAFKA | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(... | [C][C@H1][Branch3][Ring1][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@... | TPDB | true | [
"unknown"
] | 2 | [
4.456666666666666,
1.2599999999999996,
1.0666666666666664,
1.2466666666666664,
1.01,
1.0533333333333335,
0.9899999999999999,
0.7633333333333333,
0.8233333333333334,
1.0266666666666666,
1.0633333333333337,
1.116666666666667,
1.4033333333333333,
1.3333333333333333,
1.2533333333333336,
1.... |
TPD9884 | FKAFKAFKAFKAFKAFKAFKAFKAFKA | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(... | [C][C@H1][Branch3][Ring1][#Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][... | TPDB | true | [
"unknown"
] | 4 | [
4.456666666666665,
1.2599999999999996,
1.0666666666666664,
1.2466666666666666,
1.01,
1.0533333333333335,
0.9899999999999999,
0.7633333333333333,
0.8233333333333335,
1.0266666666666666,
1.0633333333333337,
1.116666666666667,
1.4033333333333333,
1.3333333333333333,
1.2533333333333336,
1.... |
TPD9885 | FKAFKAFKAFKAFKAFKAFKAFKAFKAFKA | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(... | [C][C@H1][Branch3][Ring1][=Branch2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O... | TPDB | true | [
"unknown"
] | 4 | [
4.456666666666665,
1.2599999999999996,
1.0666666666666664,
1.2466666666666666,
1.0100000000000002,
1.0533333333333335,
0.9899999999999999,
0.7633333333333333,
0.8233333333333336,
1.0266666666666666,
1.0633333333333337,
1.116666666666667,
1.4033333333333333,
1.3333333333333333,
1.25333333... |
TPD9888 | FKAGGFIKKLWRSLLA | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Br... | TPDB | true | [
"unknown"
] | 4 | [
4.3175,
1.185,
1.2825,
1.3543749999999999,
1.0074999999999998,
1.0137500000000002,
1.0056250000000002,
0.8831249999999999,
0.8649999999999999,
0.9400000000000001,
0.9118749999999999,
1.125,
1.181875,
1.15375,
1.0675,
1.1024999999999998,
1.2793750000000004,
1.2443749999999998,
1.2... |
TPD9899 | FKAVELLA | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1]... | TPDB | true | [
"unknown"
] | 2 | [
4.2875000000000005,
1.1549999999999998,
1.5037500000000001,
1.5662500000000001,
1.0225,
0.95625,
0.95875,
0.8425,
0.79125,
1.115,
1.14625,
1.3324999999999998,
1.375,
1.4100000000000004,
1.32375,
1.2874999999999999,
1.4662500000000003,
1.4199999999999997,
1.46625,
1.185,
0.817... |
TPD9907 | FKCKKWQWKMKKLG | CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O | [C][S][C][C][C@H1][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][... | TPDB | true | [
"unknown"
] | 3 | [
4.421428571428572,
1.290714285714286,
0.9185714285714287,
0.9528571428571427,
0.972142857142857,
0.9828571428571432,
0.9692857142857144,
0.7935714285714287,
0.8607142857142858,
0.982857142857143,
0.9128571428571429,
1.0778571428571428,
1.2207142857142854,
1.0507142857142857,
0.9621428571... |
TPD9926 | FKCRRWQWRMKK | CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O | [C][S][C][C][C@H1][Branch2][O][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Bra... | TPDB | true | [
"antibreastcancer",
"anticoloncancer",
"antiskincancer"
] | 2 | [
4.485,
1.235,
0.7966666666666669,
0.8908333333333335,
0.9866666666666667,
0.9958333333333336,
0.9058333333333336,
0.8066666666666666,
0.8366666666666666,
1.0233333333333334,
0.9725,
1.2116666666666667,
1.3099999999999998,
1.199166666666667,
1.09,
1.2808333333333333,
1.299166666666667... |
TPD9930 | FKCRRWQWRMKKLG | CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O | [C][S][C][C][C@H1][Branch2][O][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Bra... | TPDB | true | [
"unknown"
] | 1 | [
4.425714285714286,
1.172857142857143,
0.9485714285714287,
1.0171428571428571,
0.9978571428571428,
1.0000000000000002,
0.9350000000000002,
0.845,
0.8435714285714285,
0.9764285714285715,
0.9450000000000001,
1.187142857142857,
1.2464285714285714,
1.155714285714286,
1.0457142857142858,
1.2... |
TPD9931 | FKCRRWQWRMKKLGA | CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)O | [C][S][C][C][C@H1][Branch2][O][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Bra... | TPDB | true | [
"unknown"
] | 1 | [
4.4206666666666665,
1.1353333333333333,
0.9640000000000002,
1.0533333333333335,
0.9939999999999999,
0.9986666666666669,
0.9426666666666669,
0.8386666666666667,
0.832,
0.9846666666666668,
0.9746666666666667,
1.2033333333333331,
1.2666666666666666,
1.198666666666667,
1.0773333333333333,
... |
TPD9934 | FKCRRWQWRMKKLGAPSITCVR | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][... | TPDB | true | [
"antiprostatecancer"
] | 1 | [
4.387727272727273,
1.1040909090909092,
0.9840909090909092,
1.035,
0.9713636363636364,
0.9731818181818184,
0.9163636363636365,
0.8718181818181816,
0.8563636363636363,
0.9613636363636364,
0.9081818181818182,
1.0786363636363634,
1.125,
1.0763636363636364,
1.000909090909091,
1.089999999999... |
TPD9935 | FKCRRWQWRMKKLGAPSITCVRRAF | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][... | TPDB | true | [
"antilungcancer"
] | 1 | [
4.3968,
1.1008000000000002,
0.9996,
1.0724,
0.9808,
0.9860000000000002,
0.9188000000000001,
0.8683999999999997,
0.8492000000000002,
0.9680000000000001,
0.9328,
1.1036,
1.1632,
1.1268000000000002,
1.0468000000000002,
1.1095999999999997,
1.1560000000000001,
1.1496000000000002,
1.12... |
TPD9958 | FKDLKKIANIINSIFKK | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Bran... | TPDB | true | [
"unknown"
] | 3 | [
4.364705882352942,
1.2611764705882353,
0.9358823529411765,
1.0276470588235294,
0.9941176470588234,
1.000588235294118,
0.9841176470588233,
0.9070588235294119,
0.946470588235294,
0.9864705882352943,
0.8547058823529412,
0.9752941176470588,
1.1864705882352942,
1.104705882352941,
1.0835294117... |
TPD9973 | FKGLAKLLKIGLKALAKVIQ | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.226000000000001,
1.1575,
1.3814999999999995,
1.417,
1.0059999999999998,
0.9695000000000003,
0.983,
0.8510000000000002,
0.818,
0.9545,
0.9300000000000003,
1.157,
1.2739999999999998,
1.2254999999999998,
1.1520000000000001,
1.1649999999999998,
1.32,
1.396,
1.3445,
1.170499999999... |
TPD9981 | FKIGGFAKKLWRSLLA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 1 | [
4.3175,
1.185,
1.2825,
1.3543749999999999,
1.0074999999999998,
1.0137500000000002,
1.0056250000000002,
0.8831249999999999,
0.8649999999999999,
0.9400000000000001,
0.9118749999999999,
1.125,
1.181875,
1.15375,
1.0675,
1.1024999999999998,
1.2793750000000004,
1.2443749999999998,
1.2... |
TPD9982 | FKIGGFIKKAWRSLLA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 0 | [
4.30375,
1.2281250000000001,
1.17125,
1.275625,
1.015,
1.0187500000000003,
1.0050000000000003,
0.8699999999999999,
0.864375,
0.95375,
0.8949999999999999,
1.10375,
1.18875,
1.1300000000000001,
1.066875,
1.0799999999999998,
1.2387500000000002,
1.24125,
1.1937500000000003,
1.09999... |
TPD9983 | FKIGGFIKKLWRSALA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 1 | [
4.30375,
1.2281250000000001,
1.17125,
1.275625,
1.015,
1.0187500000000003,
1.0050000000000003,
0.8699999999999999,
0.864375,
0.95375,
0.895,
1.10375,
1.18875,
1.1300000000000001,
1.066875,
1.0799999999999998,
1.2387500000000002,
1.24125,
1.19375,
1.0999999999999999,
1.1,
1.... |
TPD9984 | FKIGGFIKKLWRSKLA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 4 | [
4.304374999999999,
1.261875,
1.1012499999999998,
1.1875,
1.020625,
1.0237500000000002,
1.0000000000000002,
0.8643749999999999,
0.8749999999999999,
0.9525,
0.858125,
1.065625,
1.17125,
1.095,
1.040625,
1.0599999999999998,
1.2068750000000004,
1.2649999999999997,
1.17875,
1.11625,... |
TPD9985 | FKIGGFIKKLWRSKLAKKLRAKGRELLKDYANRVINGGPEEEAAVPAE | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 4 | [
4.305416666666664,
1.0002083333333334,
0.8770833333333331,
0.9870833333333332,
1.064166666666666,
1.0374999999999999,
1.0043749999999996,
0.926875,
0.8816666666666667,
1.1118749999999997,
1.0289583333333334,
1.0962500000000002,
1.1304166666666668,
1.1868749999999992,
1.125625,
1.099999... |
TPD9986 | FKIGGFIKKLWRSLAA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 1 | [
4.30375,
1.2281250000000001,
1.17125,
1.2756249999999998,
1.015,
1.0187500000000003,
1.0050000000000003,
0.8699999999999999,
0.8643749999999999,
0.95375,
0.895,
1.10375,
1.18875,
1.1300000000000001,
1.066875,
1.0799999999999998,
1.2387500000000002,
1.24125,
1.19375,
1.099999999... |
TPD9987 | FKIGGFIKKLWRSLLA | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][... | TPDB | true | [
"unknown"
] | 3 | [
4.2924999999999995,
1.2856250000000002,
1.299375,
1.3612499999999998,
1.0156249999999998,
1.0075000000000003,
0.9993750000000003,
0.8862499999999999,
0.8718749999999998,
0.9375,
0.865,
1.109375,
1.176875,
1.109375,
1.050625,
1.0743749999999999,
1.2431250000000003,
1.259999999999999... |
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