Unnamed: 0 int64 0 107k | Period stringclasses 2
values | Step float64 0 999 | Mask Position float64 -1 8 ⌀ | Input_CHUCKLES stringlengths 124 274 ⌀ | Monomers stringlengths 7 164 ⌀ | CHUCKLES stringlengths 152 317 | SMILES stringlengths 145 309 | Scaffold stringlengths 90 206 | predictive_model float64 0.16 0.96 | maximum_ring_size float64 0.01 1 | lipophilicity float64 0.01 1 | custom_alerts float64 1 1 | raw_predictive_model float64 0.16 0.96 | raw_maximum_ring_size float64 15 31 | raw_lipophilicity float64 -11.21 -0.28 | raw_custom_alerts float64 1 1 | total_score float64 0.4 0.98 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
39,300 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(C)C)C(=O)|N(C)[C@@H]([C@@H](NC(=O)C1(N)CCOCC1)C1CC1)C(=O)|N(C)[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](NC(=O)C1(N)CCOCC1)C1CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CS)C2(=O) | CC(C)[C@H]1C(=O)N(C)[C@@H]([C@@H](NC(=O)C2(N)CCOCC2)C2CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(NC(=O)C2CCOCC2)C2CC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.697107 | 0.999999 | 0.790008 | 1 | 0.697107 | 27 | -3.07543 | 1 | 0.802765 |
39,301 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C2(=O) | C[C@@H]([C@H]1C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)N1CCN(CC(C)(C)O)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(CN2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.643577 | 0.999999 | 0.998956 | 1 | 0.643577 | 27 | -5.48076 | 1 | 0.802093 |
39,302 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](C(C)C)C(=O)|N(C)[C@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@H](CCC(=O)N)C2(=O) | CC(C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)N1C | O=C1CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.716934 | 0.999999 | 0.982815 | 1 | 0.716934 | 27 | -4.25733 | 1 | 0.844277 |
39,303 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)|N(C)[C@H](CCCCN)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)N(C)[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)N(C)C(=O)[C@H](C(C)(C)NS(=O)(=O)C[C@@H]3CCCO3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CNS(=O)(=O)CC2CCCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.712347 | 0.999999 | 0.979651 | 1 | 0.712347 | 27 | -4.18253 | 1 | 0.84112 |
39,304 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(C)C)[C@@H]1CC(C)(C)OC1(C)C)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(C)C)[C@@H]1CC(C)(C)OC1(C)C)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | CC(C)N(C[C@H]1C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)[C@@H]1CC(C)(C)OC1(C)C | O=C1CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(CNC2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.670762 | 0.999999 | 0.311982 | 1 | 0.670762 | 27 | -2.15653 | 1 | 0.674485 |
39,305 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CS(=O)(=O)N1CCC(NC(=O)CC)CC1)C(=O)|N[C@@H](CCCCN)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)N1CCS[C@@H](C)C1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CS(=O)(=O)N1CCC(NC(=O)CC)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N1CCS[C@@H](C)C1)C2(=O) | CCC(=O)NC1CCN(S(=O)(=O)C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N3CCS[C@@H](C)C3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)CC1 | O=C1CNC(=O)C(CS(=O)(=O)N2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCSCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.660794 | 0.999999 | 0.772627 | 1 | 0.660794 | 27 | -3.03123 | 1 | 0.778684 |
39,306 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CS)C(=O)|N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)|N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CS)C(=O)N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C2(=O) | C[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CS)C(=O)N(C)[C@@H]([C@@H](O)CN2C(=O)CN(C)C2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C)N1CCN(CC(C)(C)O)CC1 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2C(=O)CNC2=O)N1 | 0.73903 | 0.999999 | 0.997507 | 1 | 0.73903 | 27 | -5.10223 | 1 | 0.859311 |
39,307 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N1CCN(C[C@@H](C(=O)NC)C1)C)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N1CCN(C[C@@H](C(=O)NC)C1)C)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CS)C2(=O) | CNC(=O)[C@@H]1CN(C)CCN(C(=O)C[C@H]2C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(CC(=O)N2CCCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.693364 | 0.999999 | 0.999402 | 1 | 0.693364 | 27 | -5.72273 | 1 | 0.832601 |
39,308 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H]([C@H](N(C)CCN1CCCC1)C(F)(F)F)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@H](N(C)CCN1CCCC1)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](N(C)CCN3CCCC3)C(F)(F)F)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNCCN2CCCC2)N1 | 0.668064 | 0.999999 | 0.984712 | 1 | 0.668064 | 27 | -4.30896 | 1 | 0.815256 |
39,309 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@H]([C@@H](CN1C(=O)CN(C)C1=O)O)C(=O)|N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N(C)[C@H]([C@@H](CN1C(=O)CN(C)C1=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](O)CN2C(=O)CN(C)C2=O)N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2C(=O)CNC2=O)N1 | 0.667314 | 0.999999 | 0.999954 | 1 | 0.667314 | 27 | -6.83793 | 1 | 0.816886 |
39,310 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@H]1N(CCC)CCCC1)C)C(=O)|N(C)[C@H](CO)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@H]1N(CCC)CCCC1)C)C(=O)N(C)[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1C(=O)N(C)[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCCCN2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.731133 | 0.999999 | 0.986273 | 1 | 0.731133 | 27 | -4.35643 | 1 | 0.853096 |
39,311 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)N1CCN(CC)[C@@H](C1)C)C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)N1CCN(CC)[C@@H](C1)C)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN1CCN(C(=O)N(C)C[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C[C@H]1C | O=C1CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.75351 | 0.999999 | 0.994145 | 1 | 0.75351 | 27 | -4.72993 | 1 | 0.8672 |
39,312 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN(C(=O)N[C@]1(C)CCOC1)[C@@H](C)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)NC2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.798118 | 0.999999 | 0.98082 | 1 | 0.798118 | 27 | -4.20873 | 1 | 0.890495 |
39,313 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](c1c(CCC)n(nn1)C[C@@H](O)C1CC1)C(=O)|N(C)[C@@H](C(C)(C)N1CCCNC(=O)C1)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](c1c(CCC)n(nn1)C[C@@H](O)C1CC1)C(=O)N(C)[C@@H](C(C)(C)N1CCCNC(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | CCCc1c([C@@H]2C(=O)N(C)[C@@H](C(C)(C)N3CCCNC(=O)C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)nnn1C[C@@H](O)C1CC1 | O=C1CN(CC2NC(=O)C(c3cn(CCC4CC4)nn3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCCN1 | 0.68381 | 0.999999 | 0.95052 | 1 | 0.68381 | 27 | -3.78353 | 1 | 0.819963 |
39,314 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)|N(C)[C@@H](C(C)(C)NC(=O)N1CCNC(=O)C1)C(=O)|N[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)N(C)[C@@H](C(C)(C)NC(=O)N1CCNC(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(=O)N)C2(=O) | C[C@H](NC(=O)N1CC(=O)NC(=O)[C@@H]1C)[C@H]1C(=O)N(C)[C@@H](C(C)(C)NC(=O)N2CCNC(=O)C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CN(C(=O)NCC2NC(=O)C(CNC(=O)N3CC(=O)NC(=O)C3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.469213 | 0.999999 | 0.999978 | 1 | 0.469213 | 27 | -7.16573 | 1 | 0.684988 |
39,315 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.683681 | 0.999999 | 0.999622 | 1 | 0.683681 | 27 | -5.92263 | 1 | 0.826798 |
39,316 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CCSC)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCCOCC1)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCSC)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCCOCC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN(C(=O)N1CCCOCC1)[C@@H](C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCSC)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCCOCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.783212 | 0.999999 | 0.429851 | 1 | 0.783212 | 27 | -2.37733 | 1 | 0.768822 |
39,317 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H]([C@@H](NC(=O)c1cn(CC(C)C)nn1)C)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](NC(=O)c1cn(CC(C)C)nn1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CC(C)Cn1cc(C(=O)N[C@@H](C)[C@@H]2NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)nn1 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2c[nH]nn2)N1 | 0.787733 | 0.999999 | 0.999187 | 1 | 0.787733 | 27 | -5.58933 | 1 | 0.887422 |
39,318 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](CC)NC(=O)N1CCOC(C)(C)C1)C(=O)|N(C)[C@@H]([C@H](C(C)(C)C)N1CC(O)CC(N)(C)C1)C(=O)|N(C)[C@@H](CCCCN)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N1CCOC(C)(C)C1)C(=O)N(C)[C@@H]([C@H](C(C)(C)C)N1CC(O)CC(N)(C)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCCN)C2(=O) | CC[C@H](NC(=O)N1CCOC(C)(C)C1)[C@H]1C(=O)N(C)[C@@H]([C@@H](N2CC(O)CC(C)(N)C2)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN2CCCCC2)NC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.738589 | 0.999999 | 0.302524 | 1 | 0.738589 | 27 | -2.13723 | 1 | 0.704144 |
39,319 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CN(C(=O)N1[C@@H](C)COCC1)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H](CN(C(=O)N1[C@@H](C)COCC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N(C)[C@@H](CN(C)C(=O)N2CCOC[C@@H]2C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.638997 | 0.999999 | 0.965338 | 1 | 0.638997 | 27 | -3.94483 | 1 | 0.794686 |
39,320 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](Cc1c[nH]cn1)C(=O)|N(C)[C@@H]([C@@](N(C)C)(C)C1CCCCC1)C(=O)|N(C)[C@@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]([C@@](N(C)C)(C)C1CCCCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@](C)(C3CCCCC3)N(C)C)N(C)C(=O)[C@@H](Cc3c[nH]cn3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC2CCCCC2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.415368 | 0.999999 | 0.212855 | 1 | 0.415368 | 27 | -1.93203 | 1 | 0.498001 |
39,321 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](N(CC)C(=O)[C@@H]1CCC(=O)NC1)C)C(=O)|N(C)[C@@H]([C@H](C)NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)[C@@H]1CCC(=O)NC1)C)C(=O)N(C)[C@@H]([C@H](C)NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H](C)[C@H]1C(=O)N(C)[C@@H]([C@H](C)NS(=O)(=O)C2CCS(=O)(=O)CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CCC(C(=O)NCC2NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNS(=O)(=O)C3CCS(=O)(=O)CC3)NC2=O)CN1 | 0.718311 | 0.999999 | 0.99709 | 1 | 0.718311 | 27 | -5.03483 | 1 | 0.84712 |
39,322 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@@H]1COCCN1)C1CC1)C(=O)|N(C)[C@@H](CCNC[C@@]1(CC(C)C)CCNC1)C(=O)|N(C)[C@@H](CCCCN)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@@H]1COCCN1)C1CC1)C(=O)N(C)[C@@H](CCNC[C@@]1(CC(C)C)CCNC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCCN)C2(=O) | CC(C)C[C@]1(CNCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CN(C(=O)[C@@H]3COCCN3)C3CC3)C(=O)N2C)CCNC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNCC2CCNC2)NC(=O)C(CN(C(=O)C2COCCN2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.78733 | 0.999999 | 0.738122 | 1 | 0.78733 | 27 | -2.95003 | 1 | 0.843528 |
39,323 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CN1C(=O)[C@@H](C(C)C)NC(=O)C1)C(=O)|N[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN1C(=O)[C@@H](C(C)C)NC(=O)C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | CC(C)[C@H]1NC(=O)CN(C[C@@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C1=O | O=C1CNC(=O)C(CN2CC(=O)NCC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.601427 | 0.999999 | 0.997971 | 1 | 0.601427 | 27 | -5.19183 | 1 | 0.775255 |
39,324 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](S(=O)(=O)Cc1n(CC)ncn1)C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](S(=O)(=O)Cc1n(CC)ncn1)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C2(=O) | CCn1ncnc1CS(=O)(=O)[C@@H](C)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CS(=O)(=O)Cc2ncn[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.572352 | 0.999999 | 0.999297 | 1 | 0.572352 | 27 | -5.65256 | 1 | 0.756451 |
39,325 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](NC(=O)c1c(C)n(nc1)CC(C)C)C)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|N[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NC(=O)c1c(C)n(nc1)CC(C)C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CO)C2(=O) | Cc1c(C(=O)N[C@@H](C)[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)cnn1CC(C)C | O=C1CNC(=O)C(CNC(=O)c2cn[nH]c2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.633245 | 0.999999 | 0.987448 | 1 | 0.633245 | 27 | -4.39581 | 1 | 0.794093 |
39,326 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](C)NC(=O)N1CC(=O)NC(=O)[C@H]1C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](C)NC(=O)N1CC(=O)NC(=O)[C@H]1C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C2(=O) | C[C@@H]1C(=O)NC(=O)CN1C(=O)N[C@H](C)[C@@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CC(=O)NC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.649754 | 0.999999 | 0.999952 | 1 | 0.649754 | 27 | -6.82246 | 1 | 0.806066 |
39,327 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H]([C@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](O)CN3CCN(C)C(=O)C3(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)C(F)(F)F)CC1 | O=C1CN(CCC2NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.798918 | 0.999999 | 0.999249 | 1 | 0.798918 | 27 | -5.62389 | 1 | 0.89371 |
39,328 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(C)C)C(=O)[C@@H]1COC[C@H]1N)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(C)C)C(=O)[C@@H]1COC[C@H]1N)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCSC)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CN(C(=O)[C@@H]2COC[C@H]2N)C(C)C)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.722205 | 0.999999 | 0.981501 | 1 | 0.722205 | 27 | -4.22473 | 1 | 0.847185 |
39,329 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1=O)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1=O)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1=O)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CC(=O)NC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.718244 | 0.999999 | 0.999935 | 1 | 0.718244 | 27 | -6.68663 | 1 | 0.847483 |
39,330 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)Nc1c(OC)cccc1C)C)C(=O)|N(C)[C@@H](CS)C(=O)|N(C)[C@@H](CO)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)Nc1c(OC)cccc1C)C)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CO)C2(=O) | COc1cccc(C)c1NC(=O)N(C)C[C@H]1C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)Nc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.704442 | 0.999999 | 0.591582 | 1 | 0.704442 | 27 | -2.66091 | 1 | 0.768998 |
39,331 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)N1[C@H](CC)CC[C@@H]1C)CC)C(=O)|N(C)[C@@H](CCC(=O)N)C(=O)|N[C@@H]([C@H](CN(C)C1CCC(C)(C)CC1)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)N1[C@H](CC)CC[C@@H]1C)CC)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CN(C)C1CCC(C)(C)CC1)O)C2(=O) | CC[C@@H]1CC[C@H](C)N1C(=O)N(CC)C[C@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H]([C@@H](O)CN(C)C2CCC(C)(C)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCNC2CCCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.634484 | 0.999999 | 0.045111 | 1 | 0.634484 | 27 | -1.17433 | 1 | 0.475252 |
39,332 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)N1[C@@H](C)COCC1)C)C(=O)|N(C)[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)N1CCN(C)CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)N1[C@@H](C)COCC1)C)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)N1CCN(C)CC1)C2(=O) | CC[C@H](NC(=O)N1CCN(C)CC1)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CN(C)C(=O)N2CCOC[C@@H]2C)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.85546 | 0.999999 | 0.984133 | 1 | 0.85546 | 27 | -4.29256 | 1 | 0.922448 |
39,333 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C(C)(C)C)N1CCCCCC1=O)C(=O)|N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C(C)(C)C)N1CCCCCC1=O)C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | C[C@H](NC(=O)[C@@H]1CCC(=O)N1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](N2CCCCCC2=O)C(C)(C)C)C(=O)N1C | O=C1CCC(C(=O)NCC2NC(=O)C(CN3CCCCCC3=O)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)N1 | 0.756319 | 0.999999 | 0.833682 | 1 | 0.756319 | 27 | -3.20006 | 1 | 0.843696 |
39,334 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](c1nnn(C)n1)CN)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](c1nnn(C)n1)CN)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@H](CN)c3nnn(C)n3)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2nn[nH]n2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.700234 | 0.999999 | 0.999963 | 1 | 0.700234 | 27 | -6.93023 | 1 | 0.836795 |
39,335 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@@H](CC(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)|N(C)[C@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@H](CCC(=O)N)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)(C)NS(=O)(=O)C[C@@H]2CCCO2)N(C)C(=O)[C@H](CC(C)(C)NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCC(N)=O)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)CC2CCCO2)NC(=O)C(CCNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.582544 | 0.999999 | 0.997783 | 1 | 0.582544 | 27 | -5.15333 | 1 | 0.762964 |
39,336 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@@H]1CN(C)C[C@H](C)C1)C)C(=O)|N(C)[C@@H](CS(=O)(=O)N(C)[C@@H]1CCN(C)C1=O)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@@H]1CN(C)C[C@H](C)C1)C)C(=O)N(C)[C@@H](CS(=O)(=O)N(C)[C@@H]1CCN(C)C1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H]1C[C@H](C(=O)N(C)C[C@H]2C(=O)N(C)[C@@H](CS(=O)(=O)N(C)[C@@H]3CCN(C)C3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)CN(C)C1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CS(=O)(=O)NC2CCNC2=O)NC(=O)C(CNC(=O)C2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.489725 | 0.999999 | 0.999295 | 1 | 0.489725 | 27 | -5.65173 | 1 | 0.699721 |
39,337 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@@H]([C@@H](NS(=O)(=O)C1CCCCC1)C1CC1)C(=O)|N(C)[C@H]([C@H](C)O)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NS(=O)(=O)C1CCCCC1)C1CC1)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | C[C@H](O)[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](NS(=O)(=O)C2CCCCC2)C2CC2)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(C(NS(=O)(=O)C2CCCCC2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.458868 | 0.999999 | 0.983827 | 1 | 0.458868 | 27 | -4.28413 | 1 | 0.675559 |
39,338 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@H](CN(C(=O)[C@H]1COCCN1)C1CC1)C(=O)|N(C)[C@@H](CN(C(=O)[C@@H]1COCCN1)C1CC1)C(=O)|N(C)[C@@H](CC(C)(C)N1C(=O)CSCC1=O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN(C(=O)[C@H]1COCCN1)C1CC1)C(=O)N(C)[C@@H](CN(C(=O)[C@@H]1COCCN1)C1CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(C)(C)N1C(=O)CSCC1=O)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN(C(=O)[C@@H]2COCCN2)C2CC2)N(C)C(=O)[C@@H](CN(C(=O)[C@H]2COCCN2)C2CC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)(C)N2C(=O)CSCC2=O)N(C)C1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN(C(=O)C2COCCN2)C2CC2)NC(=O)C(CN(C(=O)C2COCCN2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCN2C(=O)CSCC2=O)NC(=O)CN1 | 0.363327 | 0.999999 | 0.998562 | 1 | 0.363327 | 27 | -5.34153 | 1 | 0.602621 |
39,339 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N[C@@H](CN(C(=O)[C@H]1[C@@H](C)OCC1)C(C)C)C(=O)|N(C)[C@@H](CS(=O)(=O)N1[C@H](C)CC(F)(F)CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CN(C(=O)[C@H]1[C@@H](C)OCC1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CS(=O)(=O)N1[C@H](C)CC(F)(F)CC1)C2(=O) | CC(C)N(C[C@@H]1NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS(=O)(=O)N2CCC(F)(F)C[C@H]2C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(=O)[C@@H]1CCO[C@@H]1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CS(=O)(=O)N2CCCCC2)NC(=O)CN1 | 0.458618 | 0.999999 | 0.963892 | 1 | 0.458618 | 27 | -3.92643 | 1 | 0.673076 |
39,340 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@H]([C@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)|N(C)[C@@H](C[C@H](Cc1n(CCC)ccc1)N)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@H](N(CC)C(=O)N[C@]1(C)CCOC1)C)C(=O)N(C)[C@@H](C[C@H](Cc1n(CCC)ccc1)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CCCn1cccc1C[C@H](N)C[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H]([C@@H](C)N(CC)C(=O)N[C@]2(C)CCOC2)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCCc2ccc[nH]2)NC(=O)C(CNC(=O)NC2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.576659 | 0.999999 | 0.726844 | 1 | 0.576659 | 27 | -2.92503 | 1 | 0.720056 |
39,341 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O)|? | N(C)[C@@H](c1c(N(CC)CC(=O)NC)cccc1Cl)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCCOCC1)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](c1c(N(CC)CC(=O)NC)cccc1Cl)C(=O)N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCCOCC1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CCN(CC(=O)NC)c1cccc(Cl)c1[C@H]1C(=O)N(C)[C@@H]([C@H](C)N(CC)C(=O)N2CCCOCC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCCOCC2)NC(=O)C(c2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.294441 | 0.999999 | 0.257082 | 1 | 0.294441 | 27 | -2.03913 | 1 | 0.432691 |
39,342 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)C[C@H]1CCNC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)C[C@H]1CCNC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H](NC(=O)C[C@H]1CCNC1)[C@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)CC2CCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.645285 | 0.999999 | 0.978539 | 1 | 0.645285 | 27 | -4.15893 | 1 | 0.800397 |
39,343 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(=O)N([C@@H](C)C1CC1)C)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@H]1CCCO1)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N([C@@H](C)C1CC1)C)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@H]1CCCO1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | C[C@@H](C1CC1)N(C)C(=O)[C@H]1C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)C[C@H]2CCCO2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)CC2CCCO2)NC(=O)C(C(=O)NCC2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.743578 | 0.999999 | 0.972872 | 1 | 0.743578 | 27 | -4.05463 | 1 | 0.858366 |
39,344 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)|N(C)[C@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@H](CN)C1CCC(F)(F)CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)N(C)[C@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CN)C1CCC(F)(F)CC1)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCNC(=N)N)N(C)C(=O)[C@H]([C@@H](O)CN3C(=O)CN(C)C3=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@H](CN)C3CCC(F)(F)CC3)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CCN2C(=O)CNC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC2CCCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.59613 | 0.999999 | 0.989814 | 1 | 0.59613 | 27 | -4.48756 | 1 | 0.770778 |
39,345 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(=O)N1CCN(C)C(=O)C1(C)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N1CCN(C)C(=O)C1(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(=O)N)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(=O)N2CCN(C)C(=O)C2(C)C)C(=O)N1C | O=C1CNC(=O)C(C(=O)N2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.591215 | 0.999999 | 0.999731 | 1 | 0.591215 | 27 | -6.07073 | 1 | 0.768871 |
39,346 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H]([C@H](C)N)c1ncc(Br)cc1Br)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H]([C@H](C)N)c1ncc(Br)cc1Br)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCC(=O)N)C2(=O) | C[C@H](N)[C@@H](c1ncc(Br)cc1Br)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(Cc2ccccn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.649741 | 0.999999 | 0.701956 | 1 | 0.649741 | 27 | -2.87203 | 1 | 0.759898 |
39,347 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)CC(=O)|N(C)[C@@H](CN(C)C(=O)N[C@]1(C(F)(F)F)CCNC1)C(=O)|N[C@@H](C(=O)N(C(C)C)C(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)CC(=O)N(C)[C@@H](CN(C)C(=O)N[C@]1(C(F)(F)F)CCNC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](C(=O)N(C(C)C)C(C)C)C2(=O) | CC(C)N(C(=O)[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CN(C)C(=O)N[C@]2(C(F)(F)F)CCNC2)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(C)C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)NC2CCNC2)N1 | 0.653713 | 0.999999 | 0.831586 | 1 | 0.653713 | 27 | -3.19353 | 1 | 0.784052 |
39,348 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C[C@@]1(C[C@H](CC)OCC1)CN(C)C)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C[C@@]1(C[C@H](CC)OCC1)CN(C)C)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CC[C@H]1C[C@](C[C@H]2C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)(CN(C)C)CCO1 | O=C1CNC(=O)C(CC2CCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.765046 | 0.999999 | 0.936554 | 1 | 0.765046 | 27 | -3.66913 | 1 | 0.865165 |
39,349 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)|N[C@@H](C(C)(C)N1CCN(CCO)CC1)C(=O)|N(C)[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)N[C@@H](C(C)(C)N1CCN(CCO)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCSC)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CN(C)C(=O)N2CCNC(=O)C2(C)C)C(=O)N[C@@H](C(C)(C)N2CCN(CCO)CC2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CN(C(=O)NCC2NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CN3CCNCC3)NC2=O)CCN1 | 0.633373 | 0.999999 | 0.969506 | 1 | 0.633373 | 27 | -4.00233 | 1 | 0.79175 |
39,350 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](Cn1nnn(C(C)C)c1=O)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](Cn1nnn(C(C)C)c1=O)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCSC)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](Cn2nnn(C(C)C)c2=O)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cn2nn[nH]c2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.764347 | 0.999999 | 0.96135 | 1 | 0.764347 | 27 | -3.89573 | 1 | 0.868545 |
39,351 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](N(C)CCN1CCCC1)C(F)(F)F)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](N(C)CCN1CCCC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CS)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]([C@@H](N(C)CCN3CCCC3)C(F)(F)F)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CNCCN2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.767389 | 0.999999 | 0.863256 | 1 | 0.767389 | 27 | -3.30023 | 1 | 0.8548 |
39,352 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](CN(C)C[C@H]1C[C@@H](O)C1)O)C(=O)|N[C@@H](C)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](CN(C)C[C@H]1C[C@@H](O)C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | C[C@@H]1NC(=O)[C@@H]([C@H](O)CN(C)C[C@H]2C[C@@H](O)C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)C(CCNCC2CCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.710618 | 0.999999 | 0.997249 | 1 | 0.710618 | 27 | -5.05936 | 1 | 0.842595 |
39,353 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@H](C)NC(=O)[C@]1(C)CCCN(C)C1)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@]1(C)CCCN(C)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@H](NC(=O)[C@]1(C)CCCN(C)C1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CO)C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCCNC2)N1 | 0.697912 | 0.999999 | 0.989011 | 1 | 0.697912 | 27 | -4.45423 | 1 | 0.833874 |
39,354 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)[C@]1(C)CCCNC1)C(=O)|N(C)[C@@H]([C@H](C)NC(=O)c1cn(CCN)nn1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@]1(C)CCCNC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)c1cn(CCN)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | C[C@H](NC(=O)c1cn(CCN)nn1)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@]2(C)CCCNC2)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2c[nH]nn2)NC(=O)C(CNC(=O)C2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.689732 | 0.999999 | 0.999084 | 1 | 0.689732 | 27 | -5.53756 | 1 | 0.830374 |
39,355 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@H]1[C@H](NCC)COC1)C)C(=O)|N(C)[C@@H](CCSC)C(=O)|N[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)[C@H]1[C@H](NCC)COC1)C)C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(=O)N)C2(=O) | CCN[C@@H]1COC[C@H]1C(=O)N(C)C[C@H]1C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.683705 | 0.999999 | 0.993654 | 1 | 0.683705 | 27 | -4.69473 | 1 | 0.825988 |
39,356 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CO)C(=O)|N(C)[C@@H](C(=O)N1[C@H](C(=O)NCCC)COCC1)C(=O)|N[C@@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@@H](C(=O)N1[C@H](C(=O)NCCC)COCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CCC(=O)N)C2(=O) | CCCNC(=O)[C@@H]1COCCN1C(=O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CO)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(=O)N2CCOCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.653041 | 0.999999 | 0.999873 | 1 | 0.653041 | 27 | -6.39473 | 1 | 0.808092 |
39,357 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](CC(C)(C)C)N1CCCNC1=O)C(=O)|N[C@@H](CO)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CC(C)(C)C)N1CCCNC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](CC(C)(C)C)N3CCCNC3=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CN2CCCNC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.526668 | 0.999999 | 0.84239 | 1 | 0.526668 | 27 | -3.22793 | 1 | 0.705267 |
39,358 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](NC(=O)c1c(C)n(nc1)CC(C)C)C)C(=O)|N(C)[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NC(=O)c1c(C)n(nc1)CC(C)C)C)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | Cc1c(C(=O)N[C@@H](C)[C@H]2C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)cnn1CC(C)C | O=C1CNC(=O)C(CNC(=O)c2cn[nH]c2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.749147 | 0.999999 | 0.965416 | 1 | 0.749147 | 27 | -3.94584 | 1 | 0.86047 |
39,359 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CF)C(=O)|N(C)[C@@H](C1(CN(C)CCN(C)C)CCOCC1)C(=O)|N(C)[C@@H](CC(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CF)C(=O)N(C)[C@@H](C1(CN(C)CCN(C)C)CCOCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C2(=O) | CN(C)CCN(C)CC1([C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CC(C)(C)NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@H](CF)C(=O)N2C)CCOCC1 | O=C1CNC(=O)C(C2CCOCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.591317 | 0.999999 | 0.914466 | 1 | 0.591317 | 27 | -3.52903 | 1 | 0.757596 |
39,360 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CS(=O)(=O)N[C@@H]1C(C)(C)[C@H](N(C)C)CC1)C(=O)|N(C)[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CS(=O)(=O)N[C@@H]1C(C)(C)[C@H](N(C)C)CC1)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CS(=O)(=O)N[C@H]2CC[C@@H](N(C)C)C2(C)C)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CS(=O)(=O)NC2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.625807 | 0.999999 | 0.994033 | 1 | 0.625807 | 27 | -4.72163 | 1 | 0.790291 |
39,361 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CCN(C)C[C@@H]1CCCCO1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCN(C)C[C@@H]1CCCCO1)C2(=O) | C[C@@H](O)[C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CCN(C)C[C@@H]2CCCCO2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCNCC2CCCCO2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.830987 | 0.999999 | 0.963107 | 1 | 0.830987 | 27 | -3.91673 | 1 | 0.905891 |
39,362 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(N(C)C(=O)N1CCSC[C@@H]1C)(C)C)C(=O)|N(C)[C@H](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(N(C)C(=O)N1CCSC[C@@H]1C)(C)C)C(=O)N(C)[C@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)N(C)C(=O)N2CCSC[C@@H]2C)C(=O)N(C)[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)N2CCSCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.71741 | 0.999999 | 0.916427 | 1 | 0.71741 | 27 | -3.54003 | 1 | 0.83477 |
39,363 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)[S@](=O)[C@@H]1CC[C@@H](C)CC1)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)[S@](=O)[C@@H]1CC[C@@H](C)CC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | C[C@@H]([C@H]1C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)[S@](=O)[C@H]1CC[C@H](C)CC1 | O=C1CNC(=O)C(CS(=O)C2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.584336 | 0.999999 | 0.925976 | 1 | 0.584336 | 27 | -3.59723 | 1 | 0.754683 |
39,364 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C[C@@H](N)Cc1cnc[nH]1)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C[C@@H](N)Cc1cnc[nH]1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@H](CS)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](C[C@@H](N)Cc3cnc[nH]3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CS)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CCCc2cnc[nH]2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.703551 | 0.999999 | 0.991666 | 1 | 0.703551 | 27 | -4.57553 | 1 | 0.83761 |
39,365 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H]([C@@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)|N(C)[C@@H](CCSC)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](CN1CCN(C)C(=O)C1(C)C)O)C(=O)N(C)[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | CSCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H]([C@H](O)CN2CCN(C)C(=O)C2(C)C)C(=O)N1C | O=C1CNC(=O)C(CCN2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.649332 | 0.999999 | 0.970458 | 1 | 0.649332 | 27 | -4.01653 | 1 | 0.801794 |
39,366 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CN(C(=O)c1c(C)noc1C)CC1CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CN(C(=O)c1c(C)noc1C)CC1CC1)C2(=O) | Cc1noc(C)c1C(=O)N(CC1CC1)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN(CC2CC2)C(=O)c2cnoc2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.550183 | 0.999999 | 0.79979 | 1 | 0.550183 | 27 | -3.10149 | 1 | 0.714633 |
39,367 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](Cc1c(N(C)C)nc(C(F)(F)F)nc1)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](Cc1c(N(C)C)nc(C(F)(F)F)nc1)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)(C)NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)N(C)C(=O)[C@H](Cc3cnc(C(F)(F)F)nc3N(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3c[nH]cn3)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(Cc2cncnc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.581757 | 0.999999 | 0.797583 | 1 | 0.581757 | 27 | -3.09553 | 1 | 0.734514 |
39,368 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)|N(C)[C@H]([C@H](C)O)C(=O)|N[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](C)C2(=O) | C[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@H](C)O)N(C)C(=O)[C@H]([C@H](C)NC(=O)Cn2[nH]c(=O)ccc2=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CNC(=O)Cn2[nH]c(=O)ccc2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.499955 | 0.999999 | 0.999646 | 1 | 0.499955 | 27 | -5.95053 | 1 | 0.707033 |
39,369 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H]([C@@H](NC(=O)N)c1ccc(Br)o1)C(=O)|N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@@H](NC(=O)N)c1ccc(Br)o1)C(=O)N(C)[C@@H]([C@H](C)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@H](NC(=O)N1CC(=O)NC(=O)[C@@H]1C)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](NC(N)=O)c2ccc(Br)o2)C(=O)N1C | O=C1CN(C(=O)NCC2NC(=O)C(Cc3ccco3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CC(=O)N1 | 0.561604 | 0.999999 | 0.995184 | 1 | 0.561604 | 27 | -4.81523 | 1 | 0.7488 |
39,370 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H]([C@@H]([C@H](C)N)c1ncc(Br)cc1Br)C(=O)|N(C)[C@@H]([C@@H](C)O)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H]([C@@H]([C@H](C)N)c1ncc(Br)cc1Br)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C2(=O) | C[C@H](N)[C@@H](c1ncc(Br)cc1Br)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2ccccn2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.623082 | 0.999999 | 0.360641 | 1 | 0.623082 | 27 | -2.25133 | 1 | 0.665965 |
39,371 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS(=O)(=O)N(C)[C@@H]1C[C@H](NC)C1(C)C)C(=O)|N(C)[C@@H](CCC(=O)N)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS(=O)(=O)N(C)[C@@H]1C[C@H](NC)C1(C)C)C(=O)N(C)[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN[C@H]1C[C@@H](N(C)S(=O)(=O)C[C@H]2C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C1(C)C | O=C1CNC(=O)C(CS(=O)(=O)NC2CCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.686405 | 0.999999 | 0.998324 | 1 | 0.686405 | 27 | -5.27493 | 1 | 0.828264 |
39,372 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N[C@@H](CN(C(=O)Cn1c(C)cnn1)C)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CN(C(=O)c1c(C)noc1C)CC1CC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CN(C(=O)Cn1c(C)cnn1)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CN(C(=O)c1c(C)noc1C)CC1CC1)C2(=O) | Cc1noc(C)c1C(=O)N(CC1CC1)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN(C)C(=O)Cn2nncc2C)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)Cn2ccnn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN(CC2CC2)C(=O)c2cnoc2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.478984 | 0.999999 | 0.984919 | 1 | 0.478984 | 27 | -4.31497 | 1 | 0.690336 |
39,373 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS)C(=O)|N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C(=O)|N(C)[C@@H](C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N(C)[C@@H]([C@H](C)N1CCN(CC(C)(C)O)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](C)C2(=O) | C[C@@H]([C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS)C(=O)N1C)N1CCN(CC(C)(C)O)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.642971 | 0.999999 | 0.873005 | 1 | 0.642971 | 27 | -3.33723 | 1 | 0.783908 |
39,374 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@H](CN(C(=O)[C@@H]1[C@H](C)OCC1)C(C)C)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H](CS)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN(C(=O)[C@@H]1[C@H](C)OCC1)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CS)C2(=O) | CC(C)N(C[C@@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)[C@H]1CCO[C@H]1C | O=C1CNC(=O)C(CNC(=O)C2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.612685 | 0.999999 | 0.895625 | 1 | 0.612685 | 27 | -3.43353 | 1 | 0.768492 |
39,375 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(=O)N([C@H]1CCCN(C)C1)C)C(=O)|N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(=O)N([C@H]1CCCN(C)C1)C)C(=O)N(C)[C@@H](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)(C)NS(=O)(=O)[C@@H]3CCS(=O)(=O)C3)N(C)C(=O)[C@H](C(=O)N(C)[C@H]3CCCN(C)C3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C(C(=O)NC2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.715755 | 0.999999 | 0.998631 | 1 | 0.715755 | 27 | -5.36296 | 1 | 0.845829 |
39,376 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C)C(=O)|N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H]([C@H](CN1C(=O)CN(C)C1=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | C[C@H]1C(=O)N(C)[C@@H]([C@@H](O)CN2C(=O)CN(C)C2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N(C)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2C(=O)CNC2=O)N1 | 0.690798 | 0.999999 | 0.999614 | 1 | 0.690798 | 27 | -5.91373 | 1 | 0.831089 |
39,377 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CS(=O)(=O)N[C@H]1CN(C)C(=O)C1)C(=O)|N(C)[C@@H](C(C)(C)CN(Cc1ccco1)C1CC1)C(=O)|N[C@H](CCC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS(=O)(=O)N[C@H]1CN(C)C(=O)C1)C(=O)N(C)[C@@H](C(C)(C)CN(Cc1ccco1)C1CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@H](CCC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)(C)CN(Cc3ccco3)C3CC3)N(C)C(=O)[C@H](CS(=O)(=O)N[C@@H]3CC(=O)N(C)C3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CCC(N)=O)NC2=O)C(F)(F)F)CC1 | O=C1CC(NS(=O)(=O)CC2NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CCN(Cc3ccco3)C3CC3)NC2=O)CN1 | 0.373816 | 0.999999 | 0.941508 | 1 | 0.373816 | 27 | -3.70673 | 1 | 0.605294 |
39,378 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](C(F)(F)c1cnco1)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(F)(F)c1cnco1)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)[C@H](C(F)(F)c3cnco3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2cnco2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.664053 | 0.999999 | 0.971229 | 1 | 0.664053 | 27 | -4.02836 | 1 | 0.810939 |
39,379 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H]([C@@H](NC(=O)N1C[C@@H](C)OC(C1)(C)C)C)C(=O)|N(C)[C@@H](CS)C(=O)|N[C@@H](CC(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NC(=O)N1C[C@@H](C)OC(C1)(C)C)C)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C2(=O) | CC(C)C[C@@H]1NC(=O)[C@@H]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N(C)C(=O)[C@H]([C@H](C)NC(=O)N2C[C@@H](C)OC(C)(C)C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.517041 | 0.999999 | 0.177086 | 1 | 0.517041 | 27 | -1.83283 | 1 | 0.53884 |
39,380 | evolving | 534 | 7 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)|? | N(C)[C@@H](CCCNC(=N)N)C(=O)|N[C@H](C[C@H](N)CN1CCOCC1)C(=O)|N(C)[C@@H](CC(=O)N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@H](C[C@H](N)CN1CCOCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CN1CCN(C(=O)N[C@H]([C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@@H](C[C@H](N)CN3CCOCC3)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCCN2CCOCC2)N1 | 0.708167 | 0.999999 | 0.999809 | 1 | 0.708167 | 27 | -6.21786 | 1 | 0.8415 |
39,381 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@H](C1CN(C(=O)N(C)CC(C)(C)C)C1)C(=O)|N[C@@H](c1nnn(C(C)C)n1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C1CN(C(=O)N(C)CC(C)(C)C)C1)C(=O)N[C@@H](c1nnn(C(C)C)n1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CO)C2(=O) | CC(C)n1nnc([C@@H]2NC(=O)[C@@H](C3CN(C(=O)N(C)CC(C)(C)C)C3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)n1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(c2nn[nH]n2)NC(=O)C(C2CNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.339626 | 0.999999 | 0.973711 | 1 | 0.339626 | 27 | -4.06866 | 1 | 0.580192 |
39,382 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](Cc1c[nH]cn1)C(=O)|N[C@H]([C@H](C)CC(=O)N1CCN(C)CC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]([C@H](C)CC(=O)N1CCN(C)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@H](CC(=O)N1CCN(C)CC1)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCC(=O)N2CCNCC2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.600068 | 0.999999 | 0.995156 | 1 | 0.600068 | 27 | -4.81273 | 1 | 0.774014 |
39,383 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|NCC(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H](CO)C2(=O) | CN(C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)[C@@H]1CCC(=O)N1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)C2CCC(=O)N2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.480878 | 0.999999 | 0.999932 | 1 | 0.480878 | 27 | -6.67006 | 1 | 0.693446 |
39,384 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](CO)C(=O)|N(C)[C@H](CN(C(=O)c1cn(CC(C)C)c(=O)cc1)C)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N(C)[C@H](CN(C(=O)c1cn(CC(C)C)c(=O)cc1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CO)C2(=O) | CC(C)Cn1cc(C(=O)N(C)C[C@@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CO)C(=O)N2C)ccc1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2ccc(=O)[nH]c2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.445697 | 0.999999 | 0.997574 | 1 | 0.445697 | 27 | -5.11406 | 1 | 0.667335 |
39,385 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@H](Cn1nnnn1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H]([C@H](CC)NC(=O)[C@@H]1CCCNC1=O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](Cn1nnnn1)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)NC(=O)[C@@H]1CCCNC1=O)C(=O)N(C)[C@@H](CO)C2(=O) | CC[C@H](NC(=O)[C@@H]1CCCNC1=O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](Cn2nnnn2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C1=O | O=C1CNC(=O)C(Cn2nnnn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCCNC2=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.359489 | 0.999999 | 0.999973 | 1 | 0.359489 | 27 | -7.07603 | 1 | 0.599572 |
39,386 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H]([C@H](N(C)CCN1CCC1)C(F)(F)F)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@H](CCSC)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](N(C)CCN1CCC1)C(F)(F)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCSC)C(=O)N(C)[C@@H](CO)C2(=O) | CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@H](N(C)CCN2CCC2)C(F)(F)F)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNCCN2CCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.51997 | 0.999999 | 0.942792 | 1 | 0.51997 | 27 | -3.71696 | 1 | 0.714044 |
39,387 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@H](CO)C(=O)|N(C)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)C(=O)|N[C@@H]([C@H](CC)NC(=O)C[C@@H]1CNCCN1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CNC(=O)N1CCNC(=O)[C@H]1c1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)NC(=O)C[C@@H]1CNCCN1)C(=O)N(C)[C@@H](CO)C2(=O) | CC[C@H](NC(=O)C[C@@H]1CNCCN1)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CNC(=O)N2CCNC(=O)[C@H]2c2cccs2)N(C)C(=O)[C@@H](CO)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)N(C)C1=O | O=C(CC1CNCCN1)NCC1NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNC(=O)C2c2cccs2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.459109 | 0.999999 | 0.99979 | 1 | 0.459109 | 27 | -6.17673 | 1 | 0.677552 |
39,388 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CO)C2(=O) | N(C)[C@@H](C(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)|N[C@@H](CC(=O)N)C(=O)|N(C)[C@H]([C@H](C)O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C(C)(C)NC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@H]([C@H](C)O)C(=O)N(C)[C@@H](CO)C2(=O) | C[C@H](O)[C@@H]1C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)(C)NC(=O)[C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.431712 | 0.999999 | 0.999866 | 1 | 0.431712 | 27 | -6.37383 | 1 | 0.657033 |
39,389 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@@H](CS)C(=O)|N[C@H](CCCN1CCN(C)CC1)C(=O)|N[C@@H](CO)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CS)C(=O)N[C@H](CCCN1CCN(C)CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN1CCN(CCC[C@H]2NC(=O)[C@H](CS)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC2=O)CC1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCCN2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.528611 | 0.999999 | 0.997383 | 1 | 0.528611 | 27 | -5.08106 | 1 | 0.726739 |
39,390 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](CC(=O)N)C(=O)|NCC(=O)|N1[C@@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN1C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]1CC(N)=O | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.280242 | 0.999999 | 0.996974 | 1 | 0.280242 | 27 | -5.01776 | 1 | 0.529111 |
39,391 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N1[C@H](CCC1)C(=O)|N(C)[C@@H](CO)C(=O)|N[C@@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N1[C@H](CCC1)C(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCCn1nc(C(=O)NC[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)[C@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)ccc1=O | O=C1CNC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2ccc(=O)[nH]n2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.359914 | 0.999999 | 0.997691 | 1 | 0.359914 | 27 | -5.13556 | 1 | 0.599698 |
39,392 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@@H](CC(=O)N)C(=O)|N[C@H]([C@H](NC(=O)c1n(CC)nc(C)c1)C)C(=O)|N[C@@H](CC(=O)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@H]([C@H](NC(=O)c1n(CC)nc(C)c1)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCn1nc(C)cc1C(=O)N[C@H](C)[C@H]1NC(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2ccn[nH]2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.637989 | 0.999999 | 0.999634 | 1 | 0.637989 | 27 | -5.93664 | 1 | 0.798694 |
39,393 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](C[C@@]1(CCCN(C(=O)C)C1)C#N)C(=O)|N[C@@H](CC(=O)N)C(=O)|N[C@@H](CCCNC(=N)N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C[C@@]1(CCCN(C(=O)C)C1)C#N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC(=O)N1CCC[C@@](C#N)(C[C@@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CC2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.434998 | 0.999999 | 0.998589 | 1 | 0.434998 | 27 | -5.34971 | 1 | 0.659389 |
39,394 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](C(N(C)C(=O)Cn1cnnn1)(C)C)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)|N[C@@H]([C@H](CC)NC(=O)CN1CCCNCC1=O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C(N(C)C(=O)Cn1cnnn1)(C)C)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)C1(CN)CCOCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@H](CC)NC(=O)CN1CCCNCC1=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC[C@H](NC(=O)CN1CCCNCC1=O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](CC)NC(=O)C2(CN)CCOCC2)N(C)C(=O)[C@@H](C(C)(C)N(C)C(=O)Cn2cnnn2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C1=O | O=C(CN1CCCNCC1=O)NCC1NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCOCC2)NC(=O)C(CNC(=O)Cn2cnnn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.430637 | 0.999999 | 0.999874 | 1 | 0.430637 | 27 | -6.39786 | 1 | 0.656215 |
39,395 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H]([C@@H](CC)N(C)CCN1CCNCC1)C(=O)|N[C@@H](Cc1c[nH]cn1)C(=O)|N[C@@H](CS)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H]([C@@H](CC)N(C)CCN1CCNCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC[C@H]([C@@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)N(C)CCN1CCNCC1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNCCN2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.358003 | 0.999999 | 0.990531 | 1 | 0.358003 | 27 | -4.51956 | 1 | 0.597385 |
39,396 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@@H](CC(C)C)C(=O)|NCC(=O)|N[C@@H](CN(C(=O)N1CCNC(=O)C1)C1CC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CN(C(=O)N1CCNC(=O)C1)C1CC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC(C)C[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CN(C(=O)N2CCNC(=O)C2)C2CC2)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN(C(=O)N2CCNC(=O)C2)C2CC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.443838 | 0.999999 | 0.985656 | 1 | 0.443838 | 27 | -4.33706 | 1 | 0.664609 |
39,397 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](CN(C(C)(C)C)C(=O)N1CCNCC1)C(=O)|N[C@@H](C)C(=O)|N[C@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CN(C(C)(C)C)C(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CNC(=O)c1nn(CCC)c(=O)cc1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCCn1nc(C(=O)NC[C@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](CN(C(=O)N3CCNCC3)C(C)(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)ccc1=O | O=C1CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2ccc(=O)[nH]n2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.340055 | 0.999999 | 0.989835 | 1 | 0.340055 | 27 | -4.48846 | 1 | 0.58215 |
39,398 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](Cn1nnnn1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N[C@@H]([C@@H](C)O)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](Cn1nnnn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cn2nnnn2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(Cn2nnnn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.289682 | 0.999999 | 0.999984 | 1 | 0.289682 | 27 | -7.30499 | 1 | 0.53822 |
39,399 | evolving | 535 | 8 | N2[C@@H](Cc1ccc(O)cc1)C(=O)|N1[C@@H](CCC1)C(=O)|?|?|N[C@@H](CO)C(=O)|N[C@@H](Cc1ccc(O)cc1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|?|N(C)[C@@H](CCCNC(=N)N)C2(=O) | N(C)[C@H](CCCNC(=N)N)C(=O)|N[C@@H](CN(CC)[C@H]1CCS(=O)(=O)C1)C(=O)|N1[C@@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](CCCNC(=N)N)C(=O)N[C@@H](CN(CC)[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCN(C[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)[C@H]1CCS(=O)(=O)C1 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC2CCS(=O)(=O)C2)N1 | 0.465192 | 0.999999 | 0.994437 | 1 | 0.465192 | 27 | -4.75229 | 1 | 0.681416 |
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