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 |
|---|---|---|---|---|---|---|---|---|
TPD0028 | AAAARRRR | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 1 | [
4.364999999999999,
0.605,
0.6900000000000001,
1.0050000000000001,
1.0450000000000002,
1.0599999999999998,
0.9300000000000002,
0.8250000000000001,
0.715,
1.075,
1.17,
1.38,
1.4700000000000002,
1.7650000000000001,
1.5050000000000001,
1.45,
1.485,
1.36,
1.7650000000000001,
1.31999... |
TPD0050 | AAARIRHEGVFLLIGNSCFSLPRNGPQLLLLAW | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][=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][Branch1][C][C][C][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][Branch2... | TPDB | true | [
"unknown"
] | 1 | [
4.328181818181818,
1.0266666666666668,
1.3642424242424238,
1.3793939393939396,
0.9966666666666665,
0.9872727272727272,
0.9836363636363639,
0.9742424242424245,
0.8790909090909091,
0.9733333333333335,
0.9684848484848488,
1.1012121212121209,
1.0724242424242427,
1.092121212121212,
1.04181818... |
TPD0083 | AAEWLDAFFVRHVDR | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=Branch2][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][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][... | TPDB | true | [
"unknown"
] | 4 | [
4.422666666666667,
1.0593333333333335,
0.9693333333333334,
1.115333333333333,
1.056,
1.0033333333333334,
1.0166666666666666,
0.9440000000000002,
0.8966666666666666,
1.082,
1.2126666666666666,
1.2526666666666666,
1.2320000000000002,
1.2360000000000002,
1.2326666666666666,
1.213333333333... |
TPD0147 | AAKAWLKLWAKAA | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)N)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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][S][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.378461538461538,
1.19,
1.1738461538461538,
1.3715384615384614,
0.9576923076923075,
0.9584615384615385,
1.0192307692307696,
0.7584615384615384,
0.7692307692307693,
1.0799999999999998,
1.1353846153846154,
1.3415384615384613,
1.3869230769230767,
1.4476923076923076,
1.2538461538461536,
1... |
TPD0157 | AAKKWAKAKKWAKAKKWAKAA | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c... | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branc... | TPDB | true | [
"unknown"
] | 3 | [
4.404285714285714,
1.1328571428571426,
0.6414285714285713,
0.8871428571428572,
0.9742857142857143,
1.002857142857143,
1.0171428571428573,
0.7014285714285714,
0.7814285714285715,
1.1142857142857145,
1.095714285714286,
1.2042857142857142,
1.3657142857142859,
1.4,
1.22,
1.3571428571428568... |
TPD0169 | AAKVVILKKATEYVES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1]... | TPDB | true | [
"unknown"
] | 1 | [
4.258125,
0.9943750000000001,
0.87875,
1.000625,
1.003125,
0.9643750000000002,
0.9362499999999998,
0.819375,
0.8418749999999999,
1.1181249999999998,
1.0437500000000002,
1.1424999999999998,
1.220625,
1.240625,
1.2131250000000002,
1.179375,
1.1968750000000001,
1.2775000000000003,
1... |
TPD0232 | AAPEPVARR | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][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@H1][Branc... | TPDB | true | [
"unknown"
] | 3 | [
4.325555555555557,
0.9688888888888889,
0.7388888888888889,
0.941111111111111,
1.087777777777778,
1.0833333333333335,
0.9555555555555557,
0.9322222222222223,
0.8199999999999998,
1.3111111111111111,
1.1911111111111108,
1.1211111111111112,
1.1122222222222222,
1.3000000000000003,
1.245555555... |
TPD0267 | AARIILRARFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][P][C][=Branch1][C][=O][N][C@@H1][Branch... | TPDB | true | [
"unknown"
] | 3 | [
4.300000000000001,
1.1109090909090908,
1.1299999999999997,
1.3436363636363635,
1.0518181818181818,
1.0163636363636364,
0.9272727272727272,
0.8490909090909092,
0.7599999999999999,
1.032727272727273,
1.0145454545454544,
1.3263636363636362,
1.4454545454545455,
1.5390909090909093,
1.40181818... |
TPD0269 | AARIILRFRFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C@@H1][... | TPDB | true | [
"unknown"
] | 0 | [
4.328181818181819,
1.239090909090909,
1.2009090909090907,
1.386363636363636,
1.0627272727272727,
1.029090909090909,
0.9181818181818181,
0.860909090909091,
0.7863636363636364,
1.0145454545454546,
0.9790909090909089,
1.2963636363636362,
1.4309090909090911,
1.462727272727273,
1.367272727272... |
TPD0271 | AARIILRIRFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][C][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch1][... | TPDB | true | [
"unknown"
] | 1 | [
4.263636363636364,
1.2572727272727273,
1.154545454545454,
1.3536363636363633,
1.0636363636363637,
1.007272727272727,
0.9181818181818181,
0.8536363636363636,
0.77,
1.0290909090909093,
0.9463636363636362,
1.3036363636363635,
1.4381818181818184,
1.4745454545454548,
1.3772727272727274,
1.2... |
TPD0273 | AARIILRNRFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][=Branch1][C][=Branch1][C][=O][N][C@@H1][... | TPDB | true | [
"unknown"
] | 3 | [
4.336363636363637,
1.0609090909090908,
1.0436363636363633,
1.226363636363636,
1.038181818181818,
1.0227272727272727,
0.9145454545454546,
0.8936363636363638,
0.8154545454545455,
0.9981818181818184,
0.9490909090909089,
1.2463636363636363,
1.3590909090909091,
1.441818181818182,
1.3163636363... |
TPD0275 | AARIILRRRFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][=Branch2][C][=Branch1][C][=O][N][C@@H1][... | TPDB | true | [
"unknown"
] | 4 | [
4.302727272727274,
1.1099999999999999,
1.0409090909090906,
1.2427272727272725,
1.070909090909091,
1.030909090909091,
0.9054545454545455,
0.8627272727272729,
0.7681818181818181,
1.0281818181818183,
0.9745454545454545,
1.3172727272727272,
1.4309090909090911,
1.532727272727273,
1.3990909090... |
TPD0277 | AARIILRWFRR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][=C][C][=Branch1][C][=O][N][C@@H1][Branch... | TPDB | true | [
"unknown"
] | 4 | [
4.331818181818182,
1.2963636363636364,
1.0927272727272723,
1.2999999999999998,
1.049090909090909,
1.0090909090909093,
0.9281818181818182,
0.8427272727272727,
0.7845454545454547,
1.0472727272727276,
0.9881818181818179,
1.349090909090909,
1.4045454545454545,
1.4372727272727275,
1.325454545... |
TPD0279 | AARIILRYRFR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][N][C][=Branch1][C][=O][N][C@@H1][Branch1... | TPDB | true | [
"unknown"
] | 0 | [
4.322727272727273,
1.2263636363636363,
1.058181818181818,
1.2636363636363634,
1.0609090909090908,
1.029090909090909,
0.9172727272727272,
0.8536363636363636,
0.7736363636363636,
1.022727272727273,
0.9545454545454544,
1.2554545454545454,
1.3890909090909092,
1.4581818181818185,
1.3581818181... |
TPD0316 | AAVALLPAVLLALLAPMPFSTGKRIMLGE | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][C][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][S][S][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1... | TPDB | true | [
"unknown"
] | 2 | [
4.275172413793103,
1.1006896551724137,
1.5875862068965523,
1.6496551724137927,
1.0010344827586204,
0.9982758620689656,
0.9893103448275864,
0.9555172413793103,
0.8658620689655174,
1.0303448275862068,
1.017241379310345,
1.169655172413793,
1.1800000000000002,
1.2137931034482756,
1.114827586... |
TPD0318 | AAVALLPAVLLALLAPQLGKKKHRRRPSKKKRHW | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)... | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][=C][N][C][=Branch1][C][=O][C@H1][Branch1][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C@H... | TPDB | true | [
"unknown"
] | 2 | [
4.323235294117647,
1.0632352941176468,
1.142941176470589,
1.197941176470588,
1.0126470588235292,
1.0047058823529411,
0.9847058823529413,
0.8911764705882352,
0.8297058823529413,
1.037647058823529,
1.0085294117647061,
1.1114705882352938,
1.1638235294117651,
1.208235294117647,
1.135,
1.17... |
TPD0335 | AAVPIVNLKDELLFPSWEALFSGSE | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][C... | TPDB | true | [
"antiangiogenesis"
] | 0 | [
4.3476,
1.068,
1.214,
1.2524000000000002,
1.0148000000000001,
1.0044000000000002,
0.9992000000000002,
1.0004,
0.9456000000000002,
1.1384,
1.0748000000000002,
1.1107999999999998,
1.0420000000000003,
1.0912000000000004,
1.0812000000000002,
1.0555999999999999,
1.1272000000000002,
1.06... |
TPD0342 | AAWKWAWAKKWAKAKKWAKAA | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCC... | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C... | TPDB | true | [
"antibreastcancer",
"anticoloncancer",
"antiskincancer"
] | 2 | [
4.436666666666666,
1.2757142857142851,
0.709047619047619,
0.9757142857142856,
0.9628571428571429,
0.9876190476190478,
1.0257142857142858,
0.7033333333333334,
0.790952380952381,
1.1314285714285717,
1.1242857142857146,
1.2861904761904763,
1.3495238095238098,
1.3466666666666665,
1.180000000... |
TPD0377 | ACFLTRLGTYVC | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][Ring1][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][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]... | TPDB | true | [
"unknown"
] | 1 | [
4.354166666666667,
0.9833333333333334,
1.4349999999999998,
1.3849999999999998,
0.9258333333333333,
0.8749999999999999,
0.9008333333333333,
0.8875000000000001,
0.8333333333333334,
0.7575,
0.8433333333333334,
0.9825,
1.0008333333333332,
0.9975000000000002,
0.9183333333333333,
0.930833333... |
TPD0390 | ACGILHDNCVYVPAQNPCCRGLQCRYGKCLVQV | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N]... | TPDB | true | [
"unknown"
] | 2 | [
4.362727272727272,
0.9436363636363638,
1.102121212121212,
1.0245454545454546,
0.9409090909090909,
0.9087878787878788,
0.8972727272727276,
0.9136363636363638,
0.808787878787879,
0.8445454545454546,
0.8848484848484848,
0.9087878787878787,
0.9387878787878788,
0.8833333333333333,
0.877272727... |
TPD0429 | ACSAG | C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)O | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] | TPDB | true | [
"unknown"
] | 3 | [
4.364,
0.48200000000000004,
1.142,
1.1560000000000001,
0.8699999999999999,
0.9280000000000002,
0.984,
0.9,
0.788,
0.764,
0.9279999999999999,
0.9100000000000001,
0.9,
1.028,
0.852,
0.8640000000000001,
1.012,
0.744,
1.022,
0.916,
1.072,
0.8640000000000001,
0.834,
0.758,
... |
TPD0489 | ADDKNPLEEFRETNYEVFLEIAKNGLKATSNPKRVVIVGAGMAGLSAAY | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 3 | [
4.33673469387755,
0.873061224489796,
0.9199999999999999,
1.0279591836734694,
1.0287755102040814,
1.0240816326530608,
0.9985714285714281,
0.9757142857142854,
0.9381632653061226,
1.0751020408163265,
1.043265306122449,
1.0589795918367346,
1.0738775510204077,
1.130408163265306,
1.08653061224... |
TPD0509 | ADGAPRPGAPLA | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N... | TPDB | true | [
"unknown"
] | 3 | [
4.3308333333333335,
0.9183333333333333,
0.955,
1.1066666666666667,
1.0791666666666664,
1.1116666666666668,
1.0858333333333334,
1.075,
0.9274999999999998,
1.1283333333333334,
1.0983333333333334,
0.92,
0.8658333333333333,
1.0325000000000004,
0.9824999999999999,
0.9075000000000001,
0.95... |
TPD0632 | AEDEPAAAHL | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][... | TPDB | true | [
"unknown"
] | 1 | [
4.3980000000000015,
0.7930000000000001,
0.9289999999999999,
1.0820000000000003,
1.1049999999999998,
1.0170000000000001,
1.125,
1.022,
0.8879999999999999,
1.3479999999999999,
1.455,
1.2349999999999999,
1.177,
1.3640000000000003,
1.317,
1.256,
1.2550000000000001,
1.15,
1.4720000000... |
TPD0644 | AEEEIMKKI | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)O | [C][C][C@H1][Branch1][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O]... | TPDB | true | [
"unknown"
] | 4 | [
4.262222222222222,
1.1044444444444446,
0.7999999999999999,
0.9833333333333335,
1.1388888888888888,
1.0111111111111113,
1.0233333333333334,
0.8877777777777779,
0.8566666666666667,
1.4644444444444444,
1.2866666666666668,
1.3566666666666667,
1.4644444444444444,
1.4766666666666668,
1.4044444... |
TPD0654 | AEGEFGHWCDQHWLQYWYEGDPAK | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(... | [C][C][Branch1][C][C][C][C@H1][Branch2][=N][=Branch2][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][... | TPDB | true | [
"antibreastcancer"
] | 0 | [
4.440833333333333,
1.0170833333333331,
0.7212500000000001,
0.8020833333333334,
1.0766666666666667,
1.01625,
1.0908333333333335,
0.9966666666666666,
0.9400000000000001,
1.1591666666666667,
1.2112500000000002,
1.0862499999999997,
0.9954166666666667,
0.9433333333333334,
1.0041666666666667,
... |
TPD0656 | AEGEFIHNRYNRFFYWYGDPAK | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][S][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O... | TPDB | true | [
"antibreastcancer"
] | 4 | [
4.459090909090909,
1.1072727272727272,
0.675909090909091,
0.8399999999999999,
1.0804545454545458,
1.0840909090909092,
1.0363636363636364,
0.975,
0.9404545454545457,
1.0977272727272729,
1.0513636363636365,
0.9899999999999999,
1.0377272727272728,
1.0340909090909092,
1.0536363636363637,
1... |
TPD0658 | AEGEFMYWGDSHWLQYWYEGDPAK | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc... | [C][S][C][C][C@H1][Branch2][Branch1][S][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch... | TPDB | true | [
"antibreastcancer"
] | 3 | [
4.439583333333333,
1.0766666666666664,
0.7675000000000001,
0.9029166666666667,
1.0733333333333335,
1.0554166666666667,
1.0904166666666668,
1.01,
0.9733333333333336,
1.1716666666666669,
1.1712500000000001,
1.0999999999999996,
1.02,
0.995,
1.0183333333333333,
1.114583333333333,
1.09208... |
TPD0660 | AEGEFWGDSHWLQYWYEGDPAK | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1... | [C][C][Branch1][C][C][C][C@H1][Branch2][O][#Branch2][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C]... | TPDB | true | [
"antibreastcancer"
] | 2 | [
4.428636363636364,
1.0354545454545452,
0.6981818181818182,
0.8195454545454545,
1.0836363636363637,
1.0495454545454546,
1.1018181818181818,
1.019090909090909,
0.9800000000000001,
1.1922727272727274,
1.1945454545454548,
1.0940909090909088,
0.9736363636363637,
0.9695454545454545,
1.01181818... |
TPD0670 | AEIQGNINHV | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branc... | TPDB | true | [
"unknown"
] | 2 | [
4.296,
0.764,
0.7250000000000001,
0.8229999999999998,
1.024,
0.9909999999999999,
1.0059999999999998,
0.969,
0.9259999999999999,
1.041,
1.039,
1.038,
1.09,
0.9730000000000002,
1.051,
1.017,
0.9490000000000001,
1.087,
0.9920000000000002,
1.0520000000000003,
1.1620000000000001,
... |
TPD0679 | AELDKLTSV | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C... | TPDB | true | [
"unknown"
] | 4 | [
4.322222222222223,
0.7966666666666667,
1.1944444444444444,
1.2000000000000002,
0.9922222222222223,
0.9355555555555554,
1.0055555555555555,
1.017777777777778,
0.9933333333333333,
1.0711111111111111,
1.1144444444444443,
1.1544444444444446,
1.0844444444444443,
1.198888888888889,
1.151111111... |
TPD0695 | AEMLERVIKNY | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Ring2][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.328181818181818,
1.0445454545454547,
0.9736363636363637,
1.1154545454545455,
1.0518181818181818,
1.0090909090909093,
0.9472727272727274,
0.9054545454545455,
0.860909090909091,
1.1909090909090911,
1.0936363636363637,
1.2454545454545456,
1.3236363636363635,
1.3527272727272728,
1.26636363... |
TPD0697 | AENLFRAF | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.45125,
0.99,
1.25625,
1.3824999999999998,
1.0375,
1.02875,
0.9737500000000001,
0.93875,
0.8787499999999999,
1.11375,
1.1725,
1.2699999999999998,
1.32125,
1.3975,
1.30125,
1.2162499999999998,
1.3825,
1.27375,
1.37125,
1.27375,
0.9625,
0.9962499999999999,
1.04500000000000... |
TPD0708 | AEQDMRELTY | CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | [C][S][C][C][C@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C... | TPDB | true | [
"unknown"
] | 0 | [
4.408,
0.725,
0.95,
1.06,
1.0779999999999998,
0.9990000000000002,
1.026,
1.061,
0.994,
1.27,
1.338,
1.3089999999999997,
1.2730000000000001,
1.358,
1.315,
1.3550000000000002,
1.242,
1.2529999999999997,
1.367,
1.192,
0.8610000000000001,
1.046,
1.0510000000000002,
0.9056,
... |
TPD0728 | AETPIQNVI | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][N][C][=B... | TPDB | true | [
"unknown"
] | 1 | [
4.2666666666666675,
0.9888888888888889,
0.8688888888888889,
0.9688888888888888,
1.018888888888889,
0.9677777777777778,
0.948888888888889,
0.9788888888888889,
0.9666666666666666,
1.1944444444444446,
1.0633333333333335,
1.0566666666666666,
1.08,
1.0077777777777779,
1.1077777777777778,
1.... |
TPD0734 | AEVPTGVII | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=B... | TPDB | true | [
"unknown"
] | 0 | [
4.133333333333334,
1.136666666666667,
0.9377777777777777,
1.0777777777777777,
1.0577777777777777,
0.9866666666666668,
0.9600000000000001,
0.9122222222222223,
0.8911111111111111,
1.1144444444444443,
0.9611111111111111,
1.0255555555555556,
1.0266666666666666,
0.9444444444444444,
1.03444444... |
TPD0735 | AEWAWGPCTPSSKDC | C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.4673333333333325,
0.9906666666666669,
0.8460000000000002,
0.8620000000000001,
0.9546666666666663,
0.9626666666666668,
1.0133333333333334,
0.9993333333333333,
0.9633333333333333,
1.0693333333333332,
1.024,
0.9006666666666665,
0.7773333333333332,
0.8393333333333335,
0.8033333333333332,
... |
TPD0798 | AFGMALKLLKKVL | CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][S][C][C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][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][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C]... | TPDB | true | [
"anticervicalcancer",
"anticoloncancer"
] | 0 | [
4.273846153846154,
1.183076923076923,
1.666153846153846,
1.6953846153846153,
0.9838461538461538,
0.9769230769230771,
0.9746153846153844,
0.8569230769230768,
0.8161538461538461,
0.9161538461538462,
0.9438461538461538,
1.2215384615384617,
1.3399999999999999,
1.3023076923076924,
1.153076923... |
TPD0833 | AFLYRLTRQIRPWWRWLYKW | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][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][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C]... | TPDB | true | [
"unknown"
] | 4 | [
4.4255,
1.4674999999999998,
1.0659999999999998,
1.1929999999999996,
1.0130000000000001,
0.9925,
0.9555,
0.8790000000000001,
0.8819999999999999,
1.0815,
0.984,
1.238,
1.1845,
1.1389999999999998,
1.1065,
1.2554999999999998,
1.2850000000000001,
1.217,
1.1945,
1.0559999999999996,
... |
TPD0844 | AFPVTSIFHTF | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branc... | TPDB | true | [
"unknown"
] | 4 | [
4.409090909090909,
1.1745454545454546,
1.21,
1.2854545454545452,
0.9863636363636364,
1.002727272727273,
0.9972727272727272,
0.9563636363636365,
1.0018181818181817,
0.9518181818181819,
0.9599999999999999,
0.9063636363636364,
1.002727272727273,
0.8418181818181817,
0.9645454545454545,
0.8... |
TPD0922 | AGCINGLCG | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Bra... | TPDB | true | [
"unknown"
] | 2 | [
4.27,
0.7522222222222223,
1.2600000000000002,
1.1944444444444444,
0.9433333333333334,
0.9200000000000002,
0.9833333333333333,
0.9488888888888888,
0.8000000000000002,
0.6544444444444444,
0.7333333333333335,
0.8222222222222221,
0.8077777777777777,
0.7944444444444445,
0.6699999999999999,
... |
TPD0930 | AGCRVESC | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][Ring2][N][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][Ring1][C][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1]... | TPDB | true | [
"unknown"
] | 0 | [
4.3425,
0.6575,
0.97625,
0.9087500000000002,
0.9337500000000001,
0.8900000000000001,
0.87625,
0.8737499999999999,
0.7512500000000001,
0.88625,
0.9362499999999998,
0.9762500000000001,
0.9312499999999999,
1.0200000000000002,
0.91,
0.8875,
0.9125,
0.8412499999999999,
0.9525,
0.876... |
TPD0938 | AGDLLAIETDKATI | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][C][N][C][=Branch1][C][=O][C@@H1][Branch2][O][Ring2][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@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Br... | TPDB | true | [
"unknown"
] | 3 | [
4.295000000000001,
0.8600000000000002,
1.0957142857142856,
1.212857142857143,
1.0428571428571427,
0.9535714285714288,
1.082142857142857,
1.0335714285714288,
0.9921428571428571,
1.0607142857142857,
1.1364285714285716,
1.147857142857143,
1.1292857142857142,
1.215,
1.162857142857143,
1.13... |
TPD0975 | AGGKRIVKRIKKFLRGAGGKRIVKRIKKFLRG | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch1][#C][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][C][C][N][... | TPDB | true | [
"unknown"
] | 2 | [
4.22,
1.0331249999999998,
0.7912499999999998,
0.9256249999999997,
1.06875,
1.05875,
0.9731249999999999,
0.84875,
0.8268750000000002,
0.9275000000000001,
0.8300000000000001,
1.03125,
1.17375,
1.145625,
1.0762500000000002,
1.0343749999999996,
1.1049999999999998,
1.251875,
1.1868749... |
TPD10000 | FKKFRKF | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][=C][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][=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][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.491428571428571,
1.4442857142857142,
0.8942857142857142,
0.9985714285714286,
1.06,
1.0971428571428572,
0.9385714285714286,
0.7885714285714285,
0.8799999999999999,
0.9985714285714286,
0.9071428571428571,
1.012857142857143,
1.3385714285714287,
1.1900000000000002,
1.172857142857143,
1.0... |
TPD10014 | FKKLKKLFSKLWNWK | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][#Branch1][C][C][Branch1][C... | TPDB | true | [
"unknown"
] | 3 | [
4.442666666666667,
1.3959999999999997,
1.114,
1.1326666666666665,
0.9633333333333332,
0.9913333333333335,
0.9726666666666668,
0.8366666666666666,
0.9159999999999998,
0.9900000000000001,
0.8726666666666668,
1.0799999999999998,
1.1813333333333333,
1.102,
1.0173333333333334,
1.15533333333... |
TPD10016 | FKKLKKLFSKLWNWKGGCRGDKGPDC | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(... | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][#Branch1][C][C][Branch1][C... | TPDB | true | [
"unknown"
] | 2 | [
4.404615384615385,
1.076153846153846,
0.9065384615384614,
0.9065384615384617,
1.0042307692307693,
1.0115384615384617,
1.0169230769230773,
0.9523076923076924,
0.933846153846154,
0.9096153846153849,
0.8730769230769232,
0.9069230769230765,
0.9342307692307693,
0.9165384615384615,
0.849615384... |
TPD10018 | FKKLKKLFSKLWNWKRGD | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC... | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][#Branch1][C][C][Branch1][C... | TPDB | true | [
"unknown"
] | 0 | [
4.430555555555555,
1.226111111111111,
0.9694444444444444,
1.011111111111111,
0.9983333333333333,
1.0172222222222222,
1.002777777777778,
0.9061111111111111,
0.9477777777777775,
0.9772222222222224,
0.9072222222222224,
1.055,
1.116111111111111,
1.0822222222222222,
1.005,
1.109444444444444... |
TPD10025 | FKLAFKLAKKAFL | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][O][S][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@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1]... | TPDB | true | [
"antibreastcancer",
"anticervicalcancer",
"anticoloncancer",
"antilungcancer",
"antiprostatecancer",
"antiskincancer"
] | 1 | [
4.383076923076923,
1.3138461538461537,
1.4884615384615385,
1.5507692307692307,
0.9976923076923077,
0.9953846153846155,
0.9815384615384617,
0.8123076923076924,
0.8169230769230768,
0.9876923076923076,
1.0076923076923079,
1.186923076923077,
1.383076923076923,
1.3576923076923078,
1.243076923... |
TPD10041 | FKLRAKIKVRLRAKIKL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][#Branch1][C][C][Branch1][C][C][C][N]... | TPDB | true | [
"unknown"
] | 1 | [
4.274117647058824,
1.2435294117647058,
1.1111764705882352,
1.2070588235294115,
1.025294117647059,
0.9900000000000001,
0.9252941176470588,
0.7994117647058825,
0.7870588235294117,
1.0029411764705882,
0.9023529411764707,
1.1829411764705882,
1.3652941176470588,
1.3735294117647057,
1.26235294... |
TPD10069 | FKRILQRIKDFLR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=C][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Bran... | TPDB | true | [
"unknown"
] | 2 | [
4.3500000000000005,
1.2384615384615385,
1.136153846153846,
1.1969230769230768,
1.0615384615384615,
1.0069230769230773,
0.95,
0.9384615384615386,
0.8961538461538462,
1.0276923076923077,
0.9838461538461539,
1.1969230769230768,
1.3223076923076924,
1.2753846153846153,
1.2630769230769232,
1... |
TPD10076 | FKRIVQKIKDFLR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][#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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=... | TPDB | true | [
"unknown"
] | 0 | [
4.331538461538461,
1.2646153846153847,
0.9599999999999999,
1.036153846153846,
1.0484615384615383,
1.0061538461538464,
0.9361538461538461,
0.886923076923077,
0.8930769230769229,
1.023846153846154,
0.956153846153846,
1.1284615384615384,
1.299230769230769,
1.186923076923077,
1.2153846153846... |
TPD10078 | FKRIVQLLKKLLR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)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](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][P][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][=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@H1][Branch... | TPDB | true | [
"unknown"
] | 2 | [
4.265384615384615,
1.256153846153846,
1.4392307692307693,
1.4169230769230767,
1.0123076923076921,
0.9561538461538464,
0.9046153846153848,
0.8584615384615385,
0.8199999999999998,
0.9792307692307692,
0.9138461538461539,
1.2346153846153844,
1.3461538461538458,
1.2992307692307692,
1.24230769... |
TPD10087 | FKRIVQRIKDFLRNLV | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=C][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][... | TPDB | true | [
"antiprostatecancer"
] | 2 | [
4.325,
1.175,
1.0724999999999998,
1.131875,
1.0243749999999998,
0.9925000000000003,
0.9062499999999999,
0.9125000000000001,
0.8918749999999999,
0.9750000000000001,
0.92875,
1.149375,
1.259375,
1.1831249999999998,
1.1912500000000001,
1.13625,
1.1812500000000001,
1.32625,
1.159375,... |
TPD10096 | FKRIVQRILDFLR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=C][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][... | TPDB | true | [
"unknown"
] | 4 | [
4.3184615384615395,
1.2515384615384615,
1.2146153846153847,
1.2730769230769232,
1.0515384615384615,
0.9923076923076924,
0.9230769230769232,
0.9323076923076924,
0.883076923076923,
1.0030769230769232,
0.9761538461538461,
1.2215384615384612,
1.3153846153846152,
1.2423076923076921,
1.2576923... |
TPD10099 | FKRLAKIKVLRLAKIKR | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=B... | TPDB | true | [
"antibreastcancer",
"anticervicalcancer",
"anticoloncancer",
"antilungcancer",
"antiprostatecancer",
"antiskincancer"
] | 3 | [
4.274117647058824,
1.2435294117647058,
1.1111764705882352,
1.2070588235294117,
1.0252941176470587,
0.9900000000000001,
0.9252941176470589,
0.7994117647058825,
0.7870588235294116,
1.0029411764705882,
0.9023529411764706,
1.1829411764705882,
1.3652941176470588,
1.3735294117647057,
1.2623529... |
TPD10172 | FLDPNARPLV | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][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@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C]... | TPDB | true | [
"unknown"
] | 1 | [
4.407000000000001,
1.2029999999999998,
1.268,
1.297,
1.029,
1.043,
0.9749999999999999,
1.075,
0.974,
1.069,
1.005,
0.9790000000000001,
0.95,
1.017,
1.02,
0.951,
1.038,
0.9659999999999999,
0.968,
0.9270000000000002,
0.8270000000000002,
0.999,
1.1949999999999998,
1.132999... |
TPD10189 | FLFKLIKHAIKGLIKAFK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=N][N][C][=Branch1][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.302222222222222,
1.3866666666666665,
1.2988888888888885,
1.3705555555555555,
1.0333333333333332,
0.9955555555555556,
1.0122222222222221,
0.8316666666666668,
0.8300000000000001,
0.9655555555555557,
0.9133333333333336,
1.087777777777778,
1.2983333333333333,
1.1744444444444444,
1.14555555... |
TPD10191 | FLFKLIPKAIKGLLKAFK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][=N][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@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][... | TPDB | true | [
"unknown"
] | 3 | [
4.303888888888888,
1.4227777777777775,
1.4227777777777775,
1.4666666666666666,
1.0283333333333333,
1.007777777777778,
0.9916666666666667,
0.863888888888889,
0.8466666666666666,
1,
0.9050000000000001,
1.0783333333333334,
1.2444444444444445,
1.1783333333333335,
1.1244444444444446,
1.0877... |
TPD10194 | FLFKLIPKVIKGLVKAIRK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#C][=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@@H1][Branch2][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branc... | TPDB | true | [
"unknown"
] | 1 | [
4.237894736842105,
1.416315789473684,
1.213157894736842,
1.2778947368421052,
1.0305263157894735,
1,
0.9415789473684208,
0.8300000000000002,
0.8263157894736842,
0.9889473684210526,
0.8410526315789475,
1.060526315789474,
1.2273684210526314,
1.1273684210526316,
1.111578947368421,
1.061052... |
TPD10213 | FLFSLIPHAISGLISAFK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.330000000000001,
1.2477777777777777,
1.4894444444444441,
1.5144444444444443,
0.9849999999999999,
1.0027777777777778,
1.0149999999999997,
0.958888888888889,
0.9138888888888889,
0.9533333333333336,
0.9027777777777778,
1.0155555555555555,
1.0911111111111111,
1.018888888888889,
1.035555555... |
TPD10215 | FLFSLIPNAISGLLSAFK | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.348888888888889,
1.1788888888888889,
1.5838888888888887,
1.583333333333333,
0.9583333333333331,
1.0005555555555556,
0.9866666666666666,
0.9861111111111112,
0.9394444444444444,
0.935,
0.8794444444444446,
1.0283333333333333,
1.0688888888888888,
1.0550000000000002,
1.0222222222222224,
0... |
TPD10224 | FLFSLIPSVIAGLVSAIRN | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][N][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 3 | [
4.28,
1.156842105263158,
1.424736842105263,
1.4626315789473683,
0.9594736842105261,
0.9889473684210528,
0.9410526315789471,
0.9505263157894737,
0.9052631578947368,
0.9284210526315789,
0.8478947368421053,
1.045263157894737,
1.0757894736842106,
1.04,
1.0368421052631576,
0.974210526315789... |
TPD10230 | FLGAIAQALTSLLGKL | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][S][N][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][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][... | TPDB | true | [
"unknown"
] | 0 | [
4.251875,
0.944375,
1.6668749999999999,
1.665625,
0.9743749999999995,
0.9512500000000003,
1.0125000000000002,
0.958125,
0.8881249999999998,
0.9081250000000001,
0.9793750000000001,
1.18125,
1.1774999999999998,
1.18875,
1.1093750000000002,
1.131875,
1.2837500000000002,
1.213125,
1.... |
TPD10235 | FLGALFHALSHLL | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][O][=C][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C... | TPDB | true | [
"unknown"
] | 1 | [
4.353846153846154,
1.0961538461538458,
1.8853846153846152,
1.8338461538461535,
0.9938461538461536,
0.9607692307692309,
1.067692307692308,
0.966923076923077,
0.8538461538461537,
0.8630769230769231,
1.03,
1.1653846153846152,
1.1746153846153846,
1.1369230769230771,
1.0953846153846152,
1.1... |
TPD10237 | FLGALFKALSHLL | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][O][O][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C]... | TPDB | true | [
"antilungcancer"
] | 0 | [
4.3330769230769235,
1.1376923076923076,
1.866153846153846,
1.823076923076923,
0.9846153846153844,
0.9646153846153849,
1.0323076923076924,
0.9438461538461538,
0.8546153846153846,
0.8823076923076923,
0.9869230769230769,
1.1776923076923076,
1.2038461538461538,
1.1969230769230772,
1.11615384... |
TPD10247 | FLGALFKVASKLVPAAICSISKKC | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][O][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][... | TPDB | true | [
"unknown"
] | 2 | [
4.32,
1.1274999999999997,
1.3154166666666665,
1.3158333333333332,
0.9341666666666667,
0.9474999999999998,
0.9329166666666668,
0.8575,
0.8258333333333332,
0.9104166666666665,
0.8695833333333335,
0.9991666666666666,
1.0975,
1.0779166666666669,
1.0141666666666669,
0.9912500000000001,
1.... |
TPD10251 | FLGALFKVASKVLPSVKCAITKKC | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Br... | TPDB | true | [
"unknown"
] | 3 | [
4.314166666666667,
1.1124999999999998,
1.2479166666666666,
1.2391666666666665,
0.9383333333333335,
0.9412499999999998,
0.9187500000000002,
0.8416666666666667,
0.835,
0.8954166666666666,
0.8570833333333333,
0.9779166666666667,
1.0824999999999998,
1.0441666666666667,
0.9904166666666668,
... |
TPD10263 | FLGALIKGAIHGGRFIHGMIQNHH | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][N][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][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N... | TPDB | true | [
"unknown"
] | 3 | [
4.287916666666667,
0.9574999999999999,
1.0879166666666664,
1.18,
1.0612499999999998,
1.0366666666666668,
1.0954166666666667,
0.9550000000000002,
0.87875,
0.8770833333333332,
0.9570833333333334,
1.0029166666666667,
1.1129166666666668,
0.9404166666666668,
0.9741666666666665,
0.9816666666... |
TPD10278 | FLGALWHALSKLL | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][O][S][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][... | TPDB | true | [
"unknown"
] | 0 | [
4.336153846153847,
1.1861538461538461,
1.7746153846153847,
1.7499999999999998,
0.9730769230769227,
0.9476923076923078,
1.040769230769231,
0.9284615384615383,
0.8530769230769228,
0.91,
0.9946153846153847,
1.2223076923076923,
1.1815384615384614,
1.1753846153846155,
1.0807692307692307,
1.... |
TPD10280 | FLGALWKALSKLL | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][O][=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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1]... | TPDB | true | [
"unknown"
] | 1 | [
4.315384615384615,
1.2276923076923076,
1.7553846153846153,
1.7392307692307691,
0.9638461538461536,
0.9515384615384618,
1.0053846153846153,
0.9053846153846153,
0.8538461538461537,
0.9292307692307692,
0.9515384615384617,
1.2346153846153847,
1.2107692307692306,
1.2353846153846155,
1.1015384... |
TPD10286 | FLGALWNVAKRVF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][S][N][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][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C]... | TPDB | true | [
"unknown"
] | 1 | [
4.34,
1.1915384615384617,
1.2807692307692307,
1.3761538461538463,
0.9815384615384615,
0.9953846153846155,
0.9361538461538461,
0.8507692307692308,
0.8446153846153847,
0.9123076923076924,
0.9361538461538461,
1.1784615384615387,
1.206923076923077,
1.136923076923077,
1.0807692307692307,
1.... |
TPD10292 | FLGALWNVKKSVF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][S][N][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][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C]... | TPDB | true | [
"unknown"
] | 0 | [
4.35,
1.190769230769231,
1.2538461538461538,
1.2953846153846156,
0.9530769230769229,
0.9923076923076922,
0.9415384615384615,
0.8669230769230769,
0.8953846153846154,
0.8923076923076925,
0.8707692307692307,
1.0761538461538462,
1.1123076923076922,
1.0123076923076924,
0.9846153846153846,
1... |
TPD10310 | FLGFLHHLF | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 4 | [
4.413333333333333,
1.3266666666666667,
1.8533333333333333,
1.7866666666666664,
1.0566666666666666,
1.0033333333333332,
1.094444444444444,
0.9700000000000001,
0.8766666666666667,
0.8255555555555556,
1.011111111111111,
1.0822222222222222,
1.1555555555555557,
0.9477777777777777,
1.017777777... |
TPD10324 | FLGGLIKIVPAMICAVTKKC | CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#B... | TPDB | true | [
"unknown"
] | 3 | [
4.254,
1.2254999999999998,
1.3249999999999997,
1.3539999999999999,
0.9715000000000001,
0.9395,
0.938,
0.851,
0.8145,
0.8840000000000001,
0.8310000000000001,
1.001,
1.126,
1.017,
0.9620000000000001,
0.9650000000000001,
1.1019999999999999,
1.1425000000000003,
0.9759999999999998,
... |
TPD10386 | FLGMIPGLIGGLISAFK | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][... | TPDB | true | [
"antibreastcancer",
"antilungcancer",
"antiprostatecancer"
] | 0 | [
4.219411764705883,
1.206470588235294,
1.5035294117647056,
1.5635294117647058,
1.036470588235294,
1.045294117647059,
1.0405882352941176,
0.9829411764705883,
0.9064705882352941,
0.8976470588235295,
0.833529411764706,
1.013529411764706,
1.0688235294117645,
0.9635294117647059,
0.933529411764... |
TPD10395 | FLGPTIGKIAKFILKHIVGLGDAALV | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][... | TPDB | true | [
"unknown"
] | 2 | [
4.226538461538462,
1.165769230769231,
1.2476923076923077,
1.3249999999999997,
1.0392307692307692,
0.999615384615385,
1.0300000000000002,
0.9265384615384616,
0.8819230769230769,
0.925769230769231,
0.9088461538461539,
1.0280769230769229,
1.0992307692307692,
1.015,
1.0184615384615385,
0.9... |
TPD10418 | FLGTVLKLGKAIAKTVVPMLTNAMQPKQ | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(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@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch2][Branch2][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][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 | [
4.286785714285714,
0.977142857142857,
1.2635714285714283,
1.3149999999999997,
0.9760714285714285,
0.9857142857142858,
0.9632142857142858,
0.932857142857143,
0.930357142857143,
0.9682142857142854,
0.9557142857142862,
1.0639285714285713,
1.1442857142857144,
1.0610714285714284,
1.0296428571... |
TPD10442 | FLGWLFKVASK | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=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][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.3500000000000005,
1.281818181818182,
1.362727272727273,
1.4027272727272728,
0.9727272727272726,
0.9981818181818182,
0.9736363636363639,
0.8590909090909092,
0.8809090909090909,
0.92,
0.9045454545454547,
1.1181818181818182,
1.1527272727272726,
1.0563636363636364,
1.0172727272727273,
1.... |
TPD10445 | FLGWLFKWASKVL | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][N][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][O][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C... | TPDB | true | [
"unknown"
] | 0 | [
4.363076923076924,
1.4061538461538463,
1.4607692307692308,
1.4953846153846155,
0.9661538461538459,
0.9753846153846155,
0.9792307692307692,
0.856923076923077,
0.8784615384615383,
0.9400000000000001,
0.92,
1.1923076923076923,
1.1646153846153846,
1.0592307692307694,
1.0099999999999998,
1.... |
TPD10447 | FLHFLHHLF | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C... | TPDB | true | [
"unknown"
] | 2 | [
4.486666666666666,
1.3866666666666665,
1.8333333333333333,
1.7499999999999996,
1.0533333333333335,
0.9766666666666666,
1.1133333333333333,
0.9500000000000001,
0.86,
0.8566666666666667,
1.09,
1.0933333333333333,
1.2133333333333334,
0.9633333333333332,
1.0766666666666669,
1.0733333333333... |
TPD10457 | FLIGMTQGLICLITRKC | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][... | TPDB | true | [
"unknown"
] | 3 | [
4.270000000000001,
1.0929411764705883,
1.5347058823529411,
1.4952941176470587,
0.9658823529411764,
0.9000000000000004,
0.9470588235294116,
0.9311764705882353,
0.8717647058823527,
0.8294117647058823,
0.8400000000000001,
1.0658823529411763,
1.1364705882352941,
1.0211764705882354,
0.9641176... |
TPD10477 | FLKALWKVAKKVF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][#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@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branc... | TPDB | true | [
"unknown"
] | 3 | [
4.338461538461539,
1.4007692307692308,
1.2238461538461538,
1.307692307692308,
0.9792307692307692,
0.9753846153846154,
0.9307692307692308,
0.7507692307692309,
0.8061538461538462,
0.9830769230769232,
0.9461538461538462,
1.1800000000000002,
1.3184615384615381,
1.2092307692307693,
1.15230769... |
TPD10480 | FLKALWNVAKKVF | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | [C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][#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@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branc... | TPDB | true | [
"unknown"
] | 0 | [
4.368461538461539,
1.316923076923077,
1.2369230769230768,
1.316923076923077,
0.9607692307692308,
0.9746153846153848,
0.9261538461538461,
0.7953846153846155,
0.8400000000000001,
0.9553846153846154,
0.9361538461538461,
1.1592307692307693,
1.2669230769230768,
1.1700000000000002,
1.112307692... |
TPD10485 | FLKEKVPGI | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][=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]... | TPDB | true | [
"unknown"
] | 0 | [
4.23888888888889,
1.3199999999999998,
1.0222222222222221,
1.0755555555555556,
1.09,
1.0433333333333334,
0.9822222222222222,
0.9066666666666667,
0.8800000000000001,
1.1377777777777778,
0.9455555555555555,
0.9988888888888889,
1.0755555555555556,
1.0011111111111113,
1.0422222222222224,
0.... |
TPD10494 | FLKGIKGMLGKLL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 2 | [
4.2153846153846155,
1.169230769230769,
1.5884615384615386,
1.5915384615384613,
1.0338461538461536,
1.0192307692307694,
1.0323076923076924,
0.9338461538461539,
0.8723076923076923,
0.8546153846153846,
0.8253846153846156,
1.0907692307692307,
1.1807692307692306,
1.0961538461538465,
0.9823076... |
TPD10496 | FLKGIVGMLGKLE | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 2 | [
4.193076923076923,
1.1007692307692307,
1.426923076923077,
1.46,
1.059230769230769,
1.0230769230769234,
1.0169230769230768,
0.9346153846153846,
0.8707692307692306,
0.9423076923076923,
0.9069230769230772,
1.129230769230769,
1.172307692307692,
1.0830769230769233,
1.0153846153846153,
1.049... |
TPD10498 | FLKGIVGMLGKLL | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][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][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C... | TPDB | true | [
"unknown"
] | 0 | [
4.1838461538461535,
1.1823076923076923,
1.666923076923077,
1.6676923076923076,
1.0238461538461536,
1.004615384615385,
1.0053846153846153,
0.9276923076923077,
0.8592307692307691,
0.83,
0.8176923076923079,
1.1153846153846152,
1.1738461538461535,
1.0630769230769233,
0.9769230769230769,
1.... |
TPD10514 | FLKLLAGLLKNFA | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][=Branch2][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][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... | TPDB | true | [
"antibreastcancer",
"antilungcancer",
"antiprostatecancer"
] | 3 | [
4.331538461538463,
1.18,
1.79,
1.7707692307692307,
0.9830769230769228,
0.9707692307692308,
0.9930769230769232,
0.923846153846154,
0.8576923076923078,
0.8946153846153847,
0.9423076923076924,
1.1853846153846155,
1.2453846153846153,
1.2615384615384617,
1.1307692307692307,
1.15384615384615... |
TPD10520 | FLKLLKKLAAKFLPTIICKISYKC | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)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](CC(C)... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][=C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][Branch2][#C][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][=C][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][O][N][C]... | TPDB | true | [
"antibreastcancer",
"antilungcancer",
"antiprostatecancer"
] | 3 | [
4.336250000000001,
1.355833333333333,
1.4116666666666664,
1.39,
0.9633333333333335,
0.9279166666666666,
0.9437500000000001,
0.8520833333333334,
0.8304166666666667,
0.9425,
0.8487500000000002,
1.0133333333333332,
1.1641666666666663,
1.1295833333333334,
1.0566666666666669,
1.054583333333... |
TPD10541 | FLKWLFKWAKK | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Ring2][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][... | TPDB | true | [
"anticoloncancer",
"antilungcancer",
"antiprostatecancer",
"antiskincancer"
] | 3 | [
4.440909090909091,
1.6009090909090906,
1.2127272727272729,
1.2945454545454547,
0.990909090909091,
0.9872727272727275,
0.9881818181818184,
0.7754545454545454,
0.8554545454545455,
1.038181818181818,
0.9645454545454547,
1.21,
1.3027272727272725,
1.18,
1.098181818181818,
1.248181818181818,... |
TPD10567 | FLPAALAGIGGILGKLF | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][O][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C... | TPDB | true | [
"unknown"
] | 2 | [
4.213529411764705,
1.165294117647059,
1.5329411764705883,
1.5994117647058825,
1.0476470588235292,
1.0300000000000002,
1.0499999999999998,
0.9529411764705884,
0.8547058823529412,
0.913529411764706,
0.9076470588235296,
1.067058823529412,
1.0935294117647059,
1.061764705882353,
1.00705882352... |
TPD10579 | FLPAIAGVAAKFLPKIFCAITKKC | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.3254166666666665,
1.2879166666666664,
1.2724999999999997,
1.33375,
0.9841666666666667,
0.9625,
0.9566666666666669,
0.8450000000000002,
0.8145833333333333,
0.9716666666666666,
0.9200000000000003,
1.0041666666666667,
1.14875,
1.095,
1.0479166666666668,
0.9912500000000001,
1.156249999... |
TPD10592 | FLPALAGIAGLLGKIF | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][... | TPDB | true | [
"unknown"
] | 0 | [
4.228750000000001,
1.23375,
1.5981249999999998,
1.660625,
1.0393749999999997,
1.0162500000000003,
1.036875,
0.9412500000000001,
0.8468749999999998,
0.93625,
0.9237500000000002,
1.0987500000000001,
1.13875,
1.1081250000000002,
1.0512499999999998,
1.006875,
1.2275000000000003,
1.1556... |
TPD10657 | FLPFLKSILGKIL | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C@@H1][Branch2][Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=B... | TPDB | true | [
"unknown"
] | 1 | [
4.271538461538462,
1.4592307692307693,
1.698461538461538,
1.6623076923076923,
1.013076923076923,
0.9923076923076926,
0.9884615384615386,
0.9530769230769233,
0.8976923076923078,
0.9592307692307694,
0.8307692307692308,
1.0461538461538462,
1.1184615384615384,
1.0461538461538462,
1.032307692... |
TPD10719 | FLPIIAGAAAKVVQKIFCAISKKC | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][Branch2][=N][=Branch2][N][C][=Branch1][C][=O][C@H1][Branc... | TPDB | true | [
"unknown"
] | 2 | [
4.29,
1.2062499999999996,
1.1654166666666665,
1.2295833333333333,
0.9650000000000002,
0.9474999999999999,
0.9320833333333334,
0.8162500000000001,
0.7925,
0.9616666666666668,
0.9141666666666667,
1.0391666666666666,
1.1941666666666666,
1.1058333333333334,
1.0804166666666668,
1.03,
1.15... |
TPD10730 | FLPIIAGVAAKVLPKIFCAISKKC | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H]... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][=N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][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][Branch2][=N][#Branch2][N][C][=Branch1][C][=O][C@H1][Bran... | TPDB | true | [
"unknown"
] | 1 | [
4.285416666666667,
1.325833333333333,
1.2524999999999997,
1.2970833333333331,
0.9754166666666668,
0.9570833333333333,
0.9358333333333335,
0.8375,
0.8004166666666666,
0.9658333333333332,
0.8666666666666668,
0.9895833333333334,
1.1279166666666667,
1.0579166666666668,
1.0291666666666668,
... |
TPD10764 | FLPILASLAAKFGPKLFCLVTKKC | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS... | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@@H1][Branch1][#Branch1][C][C]... | TPDB | true | [
"unknown"
] | 3 | [
4.3425,
1.2454166666666666,
1.4975000000000003,
1.464583333333333,
0.9641666666666667,
0.9500000000000002,
0.9500000000000002,
0.8920833333333333,
0.8445833333333335,
0.9304166666666668,
0.8933333333333335,
1.0020833333333334,
1.0854166666666665,
1.0658333333333332,
1.0020833333333337,
... |
TPD10791 | FLPIVAKLLSGLL | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@H1][Branch2][Branch2][Ring2][... | TPDB | true | [
"unknown"
] | 1 | [
4.233076923076923,
1.3107692307692307,
1.8538461538461537,
1.7992307692307692,
0.9846153846153844,
0.9607692307692309,
0.97,
0.9530769230769232,
0.863076923076923,
0.9330769230769231,
0.8738461538461538,
1.1223076923076922,
1.1153846153846152,
1.1069230769230771,
1.0569230769230769,
1.... |
TPD10808 | FLPIVGKLLSGLSGLL | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@H1][Branch2][=Branch2][#C][C]... | TPDB | true | [
"unknown"
] | 0 | [
4.2056249999999995,
1.1343750000000001,
1.7562499999999999,
1.675625,
0.9912499999999997,
0.9893750000000002,
1,
1.008125,
0.909375,
0.8612500000000002,
0.8043750000000001,
1.025625,
0.9681249999999997,
0.9606250000000002,
0.92125,
0.9274999999999999,
1.1118750000000002,
1.055,
1... |
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