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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
37,400 | evolving | 518 | 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](N(CC)C(=O)N1CCCOCC1)C)C(=O)|N1[C@@H](CCC1)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](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)N1[C@@H](CCC1)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)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCCOCC2)N1 | 0.615354 | 0.999999 | 0.903586 | 1 | 0.615354 | 27 | -3.47183 | 1 | 0.771301 |
37,401 | evolving | 518 | 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](Cc1c[nH]cn1)C(=O)|N(C)[C@@H](CNC(=O)N[C@H]1[C@@H](C)CSC1)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](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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CNC(=O)N[C@H]1[C@@H](C)CSC1)C2(=O) | C[C@H]1CSC[C@H]1NC(=O)NC[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N(C)[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]([C@@H](NC(=O)N2CCN(C)CC2)C(F)(F)F)C(=O)N1C | O=C1CNC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)NC2CCSC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.582418 | 0.999999 | 0.979163 | 1 | 0.582418 | 27 | -4.17203 | 1 | 0.760489 |
37,402 | evolving | 518 | 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[C@@H](N(Cc1nn(CC)nc1)C)C)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](CC(=O)N)C(=O)N[C@@H](C[C@@H](N(Cc1nn(CC)nc1)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](CCSC)C2(=O) | CCn1ncc(CN(C)[C@@H](C)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](CCSC)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)n1 | 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(CCNCc2cn[nH]n2)N1 | 0.460757 | 0.999999 | 0.850675 | 1 | 0.460757 | 27 | -3.25563 | 1 | 0.660739 |
37,403 | evolving | 518 | 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)NC[C@H]1OCCN(C)C1)C(=O)|N[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(=O)NC[C@H]1OCCN(C)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@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](CC(N)=O)NC(=O)[C@H](C(=O)NC[C@@H]3CN(C)CCO3)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(C(=O)NCC2CNCCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.581143 | 0.999999 | 0.99998 | 1 | 0.581143 | 27 | -7.20853 | 1 | 0.762325 |
37,404 | evolving | 518 | 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)(O)[C@]1(CN)CC[C@H](C)CC1)C(=O)|N(C)[C@@H](CCCNC(=N)N)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](C[C@@](C)(O)[C@]1(CN)CC[C@H](C)CC1)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](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](CCCNC(=N)N)N(C)C(=O)[C@H](C[C@@](C)(O)[C@]3(CN)CC[C@H](C)CC3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CCC2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.484363 | 0.999999 | 0.723047 | 1 | 0.484363 | 27 | -2.91676 | 1 | 0.659346 |
37,405 | evolving | 518 | 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)[C@@H]1CCC(=O)NC1)(C)C)C(=O)|N(C)[C@@H]([C@@H](C)O)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(N(C)C(=O)[C@@H]1CCC(=O)NC1)(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](CCCNC(=N)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](CCCNC(=N)N)C(=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)[C@@H]2CCC(=O)NC2)C(=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)CNC2=O)CN1 | 0.531749 | 0.999999 | 0.996839 | 1 | 0.531749 | 27 | -4.99886 | 1 | 0.728826 |
37,406 | evolving | 518 | 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)C1(N)CCOCC1)C1CC1)C(=O)|N(C)[C@@H](CC(=O)N)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](NC(=O)C1(N)CCOCC1)C1CC1)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](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](CC(N)=O)N(C)C(=O)[C@H]([C@@H](NC(=O)C3(N)CCOCC3)C3CC3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(N)=O)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(C(NC(=O)C2CCOCC2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.684865 | 0.999999 | 0.999823 | 1 | 0.684865 | 27 | -6.25263 | 1 | 0.827541 |
37,407 | evolving | 518 | 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](C)O)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@H](CC)NC(=O)c1nonc1N)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@@H](C)O)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]([C@H](CC)NC(=O)c1nonc1N)C2(=O) | CC[C@H](NC(=O)c1nonc1N)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=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)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)c2cnon2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.689124 | 0.999999 | 0.999563 | 1 | 0.689124 | 27 | -5.85923 | 1 | 0.830075 |
37,408 | evolving | 518 | 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](Cc1c[nH]cn1)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)NC(=O)N1CC(=O)NC(=O)[C@@H]1C)C(=O)N(C)[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]([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)[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]([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=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(Cc3c[nH]cn3)NC2=O)CC(=O)N1 | 0.631789 | 0.999999 | 0.998314 | 1 | 0.631789 | 27 | -5.27233 | 1 | 0.794628 |
37,409 | evolving | 518 | 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(CC)[C@@H](C)CN1CCCNCC1)C(=O)|N[C@H](Cc1c[nH]cn1)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(CC)[C@@H](C)CN1CCCNCC1)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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CCN(C(=O)[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]([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)[C@@H](C)CN1CCCNCC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(C(=O)NCCN2CCCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.54736 | 0.999999 | 0.997075 | 1 | 0.54736 | 27 | -5.03263 | 1 | 0.739477 |
37,410 | evolving | 518 | 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](N(CC)C(=O)N1CCSC[C@H]1C)C)C(=O)|N(C)[C@H](CS)C(=O)|N(C)[C@@H](C(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H]([C@@H](N(CC)C(=O)N1CCSC[C@H]1C)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](C(C)C)C2(=O) | CCN(C(=O)N1CCSC[C@H]1C)[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)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)NC(=O)[C@@H](CS)N(C)C1=O | 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 | 0.71027 | 0.999999 | 0.101433 | 1 | 0.71027 | 27 | -1.55263 | 1 | 0.57554 |
37,411 | evolving | 518 | 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](CC(=O)N)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)CN1CCCNC1=O)C)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](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](N(CC)C(=O)CN1CCCNC1=O)C)C2(=O) | CCN(C(=O)CN1CCCNC1=O)[C@@H](C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](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)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)CN2CCCNC2=O)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.591052 | 0.999999 | 0.990461 | 1 | 0.591052 | 27 | -4.51633 | 1 | 0.767572 |
37,412 | evolving | 518 | 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](CN(c1nc(nc(C)n1)N)C)C(=O)|N[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](CCCNC(=N)N)C(=O)N[C@H](CN(c1nc(nc(C)n1)N)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@@H]([C@@H](C)O)C2(=O) | Cc1nc(N)nc(N(C)C[C@H]2NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC(=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)n1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNc2ncncn2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.71698 | 0.999999 | 0.999595 | 1 | 0.71698 | 27 | -5.89224 | 1 | 0.84669 |
37,413 | evolving | 518 | 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](CN1C(=O)CN(C)C1=O)O)C(=O)|N[C@@H](CCCCN)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](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](CCCCN)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)CN3C(=O)CN(C)C3=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](CCCCN)NC2=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(CCN2C(=O)CNC2=O)N1 | 0.695709 | 0.999999 | 0.999705 | 1 | 0.695709 | 27 | -6.02993 | 1 | 0.834051 |
37,414 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N[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](CC(=O)N)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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N(C)[C@H](CC(=O)N)C2(=O) | C[C@@H](O)[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](CC(N)=O)N(C)C(=O)[C@@H](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)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)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.534914 | 0.999999 | 0.999734 | 1 | 0.534914 | 27 | -6.07473 | 1 | 0.731345 |
37,415 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@@H]([C@H](CN1C(=O)C(C)(C)S1(=O)=O)O)C(=O)|N(C)[C@@H](CCCCN)C(=O)|N(C)[C@@H](C(C)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CN1C(=O)C(C)(C)S1(=O)=O)O)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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N(C)[C@@H](C(C)C)C2(=O) | CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](O)CN2C(=O)C(C)(C)S2(=O)=O)C(=O)N(C)[C@@H](CCCCN)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](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)C(=O)N1C | O=C1CNC(=O)C(CCN2C(=O)CS2(=O)=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.562362 | 0.999999 | 0.948769 | 1 | 0.562362 | 27 | -3.76763 | 1 | 0.743364 |
37,416 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@H](CNC(=O)N1CCN(CCC)C(=O)C1)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](CNC(=O)N1CCN(CCC)C(=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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N(C)[C@@H](CC(=O)N)C2(=O) | CCCN1CCN(C(=O)NC[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](CC(C)(C)NS(=O)(=O)C[C@@H]3CCCNC3)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)CC1=O | O=C1CNC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.432996 | 0.999999 | 0.999553 | 1 | 0.432996 | 27 | -5.84953 | 1 | 0.657975 |
37,417 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@@H]([C@H](CC)N(C)CCN1CCNCC1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@@H](C(C)C)C2(=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)[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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N[C@@H](C(C)C)C2(=O) | CC[C@@H]([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](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)N(C)CCN1CCNCC1 | O=C1CNC(=O)C(CNCCN2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.541337 | 0.999999 | 0.918846 | 1 | 0.541337 | 27 | -3.55393 | 1 | 0.72545 |
37,418 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@@H](C)C(=O)|NCC(=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](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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N[C@H](CS)C2(=O) | 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](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)C(=O)N[C@H](CS)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(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.372344 | 0.999999 | 0.967038 | 1 | 0.372344 | 27 | -3.96743 | 1 | 0.606801 |
37,419 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@H](C(C)(C)CN1CCN(C)C(C)(C)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)N)C(=O)N(C)[C@H](C(C)(C)CN1CCN(C)C(C)(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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N(C)[C@@H](CS)C2(=O) | CN1C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)N(C)C(=O)[C@@H](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]1C(C)(C)CN1CCN(C)C(C)(C)C1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2CCNCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)N1 | 0.548392 | 0.999999 | 0.762564 | 1 | 0.548392 | 27 | -3.00673 | 1 | 0.707824 |
37,420 | evolving | 518 | 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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)|? | N[C@@H](CS)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N[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)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](CC(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C(=O)N[C@@H]([C@@H](C)O)C2(=O) | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CC(C)(C)NS(=O)(=O)C[C@@H]2CCCNC2)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](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCCNC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.452424 | 0.999999 | 0.995625 | 1 | 0.452424 | 27 | -4.85713 | 1 | 0.672133 |
37,421 | evolving | 518 | 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](N(C)C)[C@@H]1CCCOC1)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](CC(=O)N)C(=O)N(C)[C@@H]([C@@H](N(C)C)[C@@H]1CCCOC1)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) | 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]([C@@H]3CCCOC3)N(C)C)N(C)C(=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)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC2CCCOC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.547815 | 0.999999 | 0.998412 | 1 | 0.547815 | 27 | -5.29853 | 1 | 0.739949 |
37,422 | evolving | 518 | 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](N(CC)C(=O)N1CCCOCC1)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)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](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C)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 | 0.649278 | 0.999999 | 0.84243 | 1 | 0.649278 | 27 | -3.22806 | 1 | 0.783077 |
37,423 | evolving | 518 | 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](CO)C(=O)|N(C)[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](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)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]([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]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](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)N1C | O=C1CNC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=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)CN1 | 0.731119 | 0.999999 | 0.999436 | 1 | 0.731119 | 27 | -5.74863 | 1 | 0.854974 |
37,424 | evolving | 518 | 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@@H](C)Cc1ccc(O)cc1)C)C(=O)|N(C)[C@@H](CN([C@H]1CC(=O)N(CC)C1=O)C(C)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](CN([C@@H](C)Cc1ccc(O)cc1)C)C(=O)N(C)[C@@H](CN([C@H]1CC(=O)N(CC)C1=O)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](CCCNC(=N)N)C2(=O) | CCN1C(=O)C[C@H](N(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]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CN(C)[C@@H](C)Cc3ccc(O)cc3)C(=O)N2C)C(C)C)C1=O | O=C1CC(NCC2NC(=O)C(CNCCc3ccccc3)NC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCNCC3)NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC2=O)C(=O)N1 | 0.736328 | 0.999999 | 0.598988 | 1 | 0.736328 | 27 | -2.67426 | 1 | 0.787841 |
37,425 | evolving | 518 | 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(CC)Cc1ccc(F)c(F)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(=O)N(CC)Cc1ccc(F)c(F)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) | CCN(Cc1ccc(F)c(F)c1)C(=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]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(C(=O)NCc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.618011 | 0.999999 | 0.905376 | 1 | 0.618011 | 27 | -3.48083 | 1 | 0.77322 |
37,426 | evolving | 518 | 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](C(=O)N1[C@H](C)COCC1)N)C(=O)|N[C@@H](CC(=O)N)C(=O)|N[C@@H](CCSC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](C[C@H](C(=O)N1[C@H](C)COCC1)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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H](CCSC)C2(=O) | CSCC[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](CC(N)=O)NC(=O)[C@H](C[C@@H](N)C(=O)N2CCOC[C@H]2C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(CCC(=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 | 0.775394 | 0.999999 | 0.997792 | 1 | 0.775394 | 27 | -5.15513 | 1 | 0.88024 |
37,427 | evolving | 518 | 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)N[C@H]1CCCN(C)C1)C(=O)|N(C)[C@@H](C)C(=O)|N[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)NC(=O)N[C@H]1CCCN(C)C1)C(=O)N(C)[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@@H]([C@@H](C)O)C2(=O) | C[C@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H]1C(=O)N(C)[C@@H](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@@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)NC2CCCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.592754 | 0.999999 | 0.98145 | 1 | 0.592754 | 27 | -4.22353 | 1 | 0.767506 |
37,428 | evolving | 518 | 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(=O)N(CC)C[C@H]1CCCN(C)C1)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)C(=O)N(C)[C@@H](C(=O)N(CC)C[C@H]1CCCN(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](CC(=O)N)C2(=O) | CCN(C[C@H]1CCCN(C)C1)C(=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)[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CS)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(=O)NCC2CCCNC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.729612 | 0.999999 | 0.973698 | 1 | 0.729612 | 27 | -4.06843 | 1 | 0.850387 |
37,429 | evolving | 518 | 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](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@@H](N(CC)C(=O)N[C@]1(C)CCOC1)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](CCCNC(=N)N)C2(=O) | CCN(C(=O)N[C@]1(C)CCOC1)[C@@H](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](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)NC2CCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.798508 | 0.999999 | 0.980847 | 1 | 0.798508 | 27 | -4.20936 | 1 | 0.890717 |
37,430 | evolving | 518 | 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](CO)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)c1c(C)n(nc1)CC(C)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@@H](CC(C)C)C2(=O) | Cc1c(C(=O)N[C@H](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@@H](CC(C)C)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 | 0.682892 | 0.999999 | 0.436058 | 1 | 0.682892 | 27 | -2.38831 | 1 | 0.719615 |
37,431 | evolving | 518 | 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](CCCNC(=N)N)C(=O)|N(C)[C@@H](CN(C)C(=O)N1CCOC[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](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](CN(C)C(=O)N1CCOC[C@@H]1C(=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](CCCNC(=N)N)N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CN(C)C(=O)N3CCOC[C@@H]3C(N)=O)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.76297 | 0.999999 | 0.999935 | 1 | 0.76297 | 27 | -6.68736 | 1 | 0.873472 |
37,432 | evolving | 518 | 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](CS)C(=O)|N(C)[C@@H]([C@@H](n1nc(C)c(c1)Br)C)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](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]([C@@H](n1nc(C)c(c1)Br)C)C2(=O) | Cc1nn([C@@H](C)[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](Cc3c[nH]cn3)C(=O)N(C)[C@@H](CS)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)N2C)cc1Br | O=C1CNC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cn2cccn2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.587816 | 0.999999 | 0.121224 | 1 | 0.587816 | 27 | -1.63971 | 1 | 0.539368 |
37,433 | evolving | 518 | 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)N1CCNCC1)C)C(=O)|N(C)[C@@H](CCCCN)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](N(CC)C(=O)N1CCNCC1)C)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@@H](CC(=O)N)C2(=O) | CCN(C(=O)N1CCNCC1)[C@@H](C)[C@H]1C(=O)N(C)[C@@H](CCCCN)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)N2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.690163 | 0.999999 | 0.993225 | 1 | 0.690163 | 27 | -4.66613 | 1 | 0.82982 |
37,434 | evolving | 518 | 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(S(=O)(=O)C)CCN1CCCCC1)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](CN(S(=O)(=O)C)CCN1CCCCC1)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](CN(CCN2CCCCC2)S(C)(=O)=O)C(=O)N1C | O=C1CNC(=O)C(CNCCN2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.698861 | 0.999999 | 0.99875 | 1 | 0.698861 | 27 | -5.40243 | 1 | 0.835804 |
37,435 | evolving | 518 | 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@@H](CCSC)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@@H](CCSC)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@@H](CCSC)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 | 0.759365 | 0.999999 | 0.826727 | 1 | 0.759365 | 27 | -3.17863 | 1 | 0.844213 |
37,436 | evolving | 518 | 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)c1n[nH]c(C(C)(C)C)n1)C(=O)|N(C)[C@@H]([C@@H](C)O)C(=O)|N(C)[C@@H]([C@H](CC)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)C(=O)c1n[nH]c(C(C)(C)C)n1)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@H](CC)C)C2(=O) | CC[C@H](C)[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)c2n[nH]c(C(C)(C)C)n2)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(CNC(=O)c2nc[nH]n2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.693394 | 0.999999 | 0.470808 | 1 | 0.693394 | 27 | -2.44923 | 1 | 0.734453 |
37,437 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H](CN(C(=O)[C@@]1(CC)CCCN1)C1CC1)C(=O)|N(C)[C@H](C(C)(C)N1CCN(CCO)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](CN(C(=O)[C@@]1(CC)CCCN1)C1CC1)C(=O)N(C)[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](CC(=O)N)C(=O)N(C)[C@@H](C)C2(=O) | CC[C@]1(C(=O)N(C[C@H]2C(=O)N(C)[C@H](C(C)(C)N3CCN(CCO)CC3)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](CC(N)=O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N2C)C2CC2)CCCN1 | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN2CCNCC2)NC(=O)C(CN(C(=O)C2CCCN2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.482018 | 0.999999 | 0.977847 | 1 | 0.482018 | 27 | -4.14483 | 1 | 0.691688 |
37,438 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCCOCC1)C)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](N(CC)C(=O)N1CCCOCC1)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](CC(=O)N)C(=O)N(C)[C@H](CC(=O)N)C2(=O) | CCN(C(=O)N1CCCOCC1)[C@@H](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](CC(N)=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)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)N2CCCOCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.485079 | 0.999999 | 0.998295 | 1 | 0.485079 | 27 | -5.26753 | 1 | 0.696278 |
37,439 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N[C@@H]([C@@H](NS(=O)(=O)C1CCCCC1)C1CC1)C(=O)|N(C)[C@@H](CO)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](NS(=O)(=O)C1CCCCC1)C1CC1)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](CC(=O)N)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]([C@@H](NS(=O)(=O)C2CCCCC2)C2CC2)C(=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](CC(N)=O)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 | 0.406785 | 0.999999 | 0.996953 | 1 | 0.406785 | 27 | -5.01483 | 1 | 0.637473 |
37,440 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@@H](CNC(=O)N1CCCN(CCC)C(=O)C1)C(=O)|N[C@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)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](CNC(=O)N1CCCN(CCC)C(=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](CC(=O)N)C(=O)N[C@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCNC1)C2(=O) | CCCN1CCCN(C(=O)NC[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](CC(N)=O)C(=O)N[C@H](C(C)(C)NS(=O)(=O)C[C@@H]3CCCNC3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CC(N)=O)C(=O)N2C)CC1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCCNC(=O)C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNS(=O)(=O)CC2CCCNC2)NC(=O)CN1 | 0.622557 | 0.999999 | 0.999797 | 1 | 0.622557 | 27 | -6.19173 | 1 | 0.788996 |
37,441 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H]([C@H](C)NC(=O)[C@H]1CCCCS1)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N(C)[C@H]([C@@H](CC)N(C)C1CCOCC1)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]1CCCCS1)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](CC(=O)N)C(=O)N(C)[C@H]([C@@H](CC)N(C)C1CCOCC1)C2(=O) | CC[C@H]([C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@H](C)NC(=O)[C@H]2CCCCS2)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](CC(N)=O)C(=O)N1C)N(C)C1CCOCC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)C2CCCCS2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC2CCOCC2)NC(=O)CN1 | 0.540274 | 0.999999 | 0.913051 | 1 | 0.540274 | 27 | -3.52123 | 1 | 0.723974 |
37,442 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H](C[C@@]1(CC[C@@H](CC)C1)NC(=O)CS(=O)(=O)C)C(=O)|N(C)[C@@H]([C@H](c1n(CCC)cnc1)C(C)(C)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[C@@]1(CC[C@@H](CC)C1)NC(=O)CS(=O)(=O)C)C(=O)N(C)[C@@H]([C@H](c1n(CCC)cnc1)C(C)(C)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](CC(=O)N)C(=O)N(C)[C@@H](CCC(=O)N)C2(=O) | CCCn1cncc1[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](CC(N)=O)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@]2(NC(=O)CS(C)(=O)=O)CC[C@@H](CC)C2)C(=O)N1C)C(C)(C)N | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2cnc[nH]2)NC(=O)C(CC2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.496987 | 0.999999 | 0.828337 | 1 | 0.496987 | 27 | -3.18353 | 1 | 0.683188 |
37,443 | evolving | 518 | 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](CC(=O)N)C(=O)|? | N(C)[C@@H](CS(=O)(=O)N[C@@]1([C@H](C)CCCC1)CN)C(=O)|N[C@H]([C@@H](C(C)(C)C)N1CCCNC1=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](CS(=O)(=O)N[C@@]1([C@H](C)CCCC1)CN)C(=O)N[C@H]([C@@H](C(C)(C)C)N1CCCNC1=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](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C2(=O) | C[C@@H]1CCCC[C@]1(CN)NS(=O)(=O)C[C@H]1C(=O)N[C@H]([C@H](N2CCCNC2=O)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](CC(N)=O)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)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CN2CCCNC2=O)NC(=O)C(CS(=O)(=O)NC2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.37965 | 0.999999 | 0.998135 | 1 | 0.37965 | 27 | -5.22843 | 1 | 0.615965 |
37,444 | evolving | 518 | 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](NS(=O)(=O)C1CCCCC1)C1CC1)C(=O)|N(C)[C@@H](C)C(=O)|N(C)[C@H]([C@@H](CC)NC(=O)c1cc(C)n[nH]1)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)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)c1cc(C)n[nH]1)C2(=O) | CC[C@@H](NC(=O)c1cc(C)n[nH]1)[C@@H]1C(=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)N(C)[C@@H](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)N1C | O=C1CNC(=O)C(C(NS(=O)(=O)C2CCCCC2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)c2ccn[nH]2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.720312 | 0.999999 | 0.157959 | 1 | 0.720312 | 27 | -1.77321 | 1 | 0.624 |
37,445 | evolving | 518 | 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)N1CCC[C@H]1C(=O)N)C(=O)|N(C)[C@@H](C(C)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]([C@H](CC)NC(=O)N1CCC[C@H]1C(=O)N)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](CC(=O)N)C2(=O) | CC[C@H](NC(=O)N1CCC[C@H]1C(N)=O)[C@H]1C(=O)N(C)[C@@H](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](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)N2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.664167 | 0.999999 | 0.975199 | 1 | 0.664167 | 27 | -4.09463 | 1 | 0.811561 |
37,446 | evolving | 518 | 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)C(=O)|N(C)[C@@H]([C@H](SC1CCOCC1)C(F)(F)F)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)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](SC1CCOCC1)C(F)(F)F)C2(=O) | 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](SC2CCOCC2)C(F)(F)F)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N1C | O=C1CNC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CSC2CCOCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.515078 | 0.999999 | 0.051541 | 1 | 0.515078 | 27 | -1.23513 | 1 | 0.437819 |
37,447 | evolving | 518 | 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](CN(C(=O)c1c(C)noc1C)CC1CC1)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]([C@@H](C)O)C(=O)N(C)[C@@H](CN(C(=O)c1c(C)noc1C)CC1CC1)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]([C@@H](C)O)C(=O)N(C)[C@@H](CN(CC2CC2)C(=O)c2c(C)noc2C)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(CN(CC2CC2)C(=O)c2cnoc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.665448 | 0.999999 | 0.15783 | 1 | 0.665448 | 27 | -1.77279 | 1 | 0.599683 |
37,448 | evolving | 518 | 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](NC(=O)c1c(C)n(nc1)CC(C)C)C)C(=O)|N(C)[C@@H](C(C)C)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](NC(=O)c1c(C)n(nc1)CC(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](C(C)C)C2(=O) | Cc1c(C(=O)N[C@@H](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]([C@@H](NC(=O)N3CCN(C)CC3)C(F)(F)F)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](CC(N)=O)C(=O)N2C)cnn1CC(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)c2cn[nH]c2)N1 | 0.776185 | 0.999999 | 0.530535 | 1 | 0.776185 | 27 | -2.55311 | 1 | 0.792686 |
37,449 | evolving | 518 | 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)|? | N1[C@@H](CCC1)C(=O)|N(C)[C@@H]([C@@H](NS(=O)(=O)C1CCCC(F)(F)F)C1)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)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@@H](NS(=O)(=O)C1CCCC(F)(F)F)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](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]3CC(CCCC(F)(F)F)S(=O)(=O)N3)N(C)C(=O)[C@@H]3CCCN3C(=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(Cc2ccccc2)NC(=O)CNC(=O)C(C2CCS(=O)(=O)N2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.678094 | 0.999999 | 0.843518 | 1 | 0.678094 | 27 | -3.23163 | 1 | 0.800437 |
37,450 | evolving | 518 | 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)c1=O)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](Cn1nnn(C)c1=O)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](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)NS(=O)(=O)C[C@@H]3CCCO3)N(C)C(=O)[C@H](Cn3nnn(C)c3=O)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(CNS(=O)(=O)CC2CCCO2)NC(=O)C(Cn2nn[nH]c2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.691105 | 0.999999 | 0.999629 | 1 | 0.691105 | 27 | -5.93103 | 1 | 0.831276 |
37,451 | evolving | 518 | 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(C)C)C(=O)N[C@H]1CCOC1)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(C)C)C(=O)N[C@H]1CCOC1)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) | CC(C)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](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](Cc2c[nH]cn2)C(=O)N1C)C(=O)N[C@H]1CCOC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)NC2CCOC2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.715382 | 0.999999 | 0.910682 | 1 | 0.715382 | 27 | -3.50843 | 1 | 0.832716 |
37,452 | evolving | 518 | 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)C)[C@@H]1CCCOC1)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H](C(C)(C)CN(Cc1cnn(C)c1)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)C)[C@@H]1CCCOC1)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](C(C)(C)CN(Cc1cnn(C)c1)C)C2(=O) | CC(=O)N[C@@H]([C@@H]1CCCOC1)[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](C(C)(C)CN(C)Cc2cnn(C)c2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C | O=C1CNC(=O)C(CC2CCCOC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CCNCc2cn[nH]c2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.575218 | 0.999999 | 0.848616 | 1 | 0.575218 | 27 | -3.24863 | 1 | 0.737963 |
37,453 | evolving | 518 | 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](Cc1c[nH]cn1)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](C(C)(C)NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N(C)[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]([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](Cc3c[nH]cn3)N(C)C(=O)[C@H](C(C)(C)NS(=O)(=O)[C@@H]3CCS(=O)(=O)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=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CNS(=O)(=O)C2CCS(=O)(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.583289 | 0.999999 | 0.99838 | 1 | 0.583289 | 27 | -5.28973 | 1 | 0.763527 |
37,454 | evolving | 518 | 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)C(=O)Nn1cccc1)C(=O)|N(C)[C@@H](CC(C)(C)NS(=O)(=O)C[C@@H]1CCN(C)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[C@@H](N)C(=O)Nn1cccc1)C(=O)N(C)[C@@H](CC(C)(C)NS(=O)(=O)C[C@@H]1CCN(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@@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](CC(C)(C)NS(=O)(=O)C[C@@H]3CCN(C)C3)N(C)C(=O)[C@H](C[C@@H](N)C(=O)Nn3cccc3)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNS(=O)(=O)CC2CCNC2)NC(=O)C(CCC(=O)Nn2cccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.611694 | 0.999999 | 0.995169 | 1 | 0.611694 | 27 | -4.81386 | 1 | 0.781478 |
37,455 | evolving | 518 | 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](C)C(=O)|NCC2(=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(=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)NCC2(=O) | CCN(C(=O)N[C@]1(C)CCOC1)[C@@H](C)[C@H]1C(=O)N(C)[C@H](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)NCC(=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 | 0.632942 | 0.999999 | 0.819077 | 1 | 0.632942 | 27 | -3.15583 | 1 | 0.769548 |
37,456 | evolving | 518 | 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](CN1C(=O)CC(CC)(C)C1=O)O)C(=O)|N(C)[C@@H](CCCNC(=N)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@@H]([C@H](CN1C(=O)CC(CC)(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)[C@@H](CCC(=O)N)C2(=O) | CCC1(C)CC(=O)N(C[C@H](O)[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(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)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)C1=O | O=C1CNC(=O)C(CCN2C(=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 | 0.521531 | 0.999999 | 0.998561 | 1 | 0.521531 | 27 | -5.34126 | 1 | 0.721997 |
37,457 | evolving | 518 | 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(=O)N(CC)Cc1ccc(F)c(F)c1)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](CC(=O)N)C(=O)N(C)[C@@H](C(=O)N(CC)Cc1ccc(F)c(F)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)C2(=O) | CCN(Cc1ccc(F)c(F)c1)C(=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)[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(N)=O)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(=O)NCc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.645375 | 0.999999 | 0.687157 | 1 | 0.645375 | 27 | -2.84173 | 1 | 0.754655 |
37,458 | evolving | 518 | 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](CS)C(=O)|N(C)[C@@H](C[C@H](CC)N(C)C)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](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](C[C@H](CC)N(C)C)C2(=O) | CC[C@@H](C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](C)O)C(=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)N1C)N(C)C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.733053 | 0.999999 | 0.769293 | 1 | 0.733053 | 27 | -3.02303 | 1 | 0.819564 |
37,459 | evolving | 518 | 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](CN(C(=O)c1cn(CC(C)C)c(=O)cc1)C)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](CCCNC(=N)N)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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[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]([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)N(C)[C@@H](CCCNC(=N)N)C(=O)N2C)ccc1=O | 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)c2ccc(=O)[nH]c2)N1 | 0.583907 | 0.999999 | 0.991379 | 1 | 0.583907 | 27 | -4.56066 | 1 | 0.763036 |
37,460 | evolving | 518 | 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(CC)C(=O)N[C@@H]1CCN(C)C1)C(=O)|N(C)[C@@H]([C@@H](C)O)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](CN(CC)C(=O)N[C@@H]1CCN(C)C1)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](CS)C2(=O) | CCN(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)[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1C)C(=O)N[C@@H]1CCN(C)C1 | O=C1CNC(=O)C(CNC(=O)NC2CCNC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.72772 | 0.999999 | 0.970537 | 1 | 0.72772 | 27 | -4.01773 | 1 | 0.848824 |
37,461 | evolving | 518 | 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)|N1[C@@H](CCC1)C(=O)|N(C)[C@@H](CS(=O)(=O)N1[C@@H](C(=O)NC)CNCC1)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)CC(=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)N1[C@@H](C(=O)NC)CNCC1)C2(=O) | CNC(=O)[C@H]1CNCCN1S(=O)(=O)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N2CCC[C@H]2C(=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)C2CCCN2C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CS(=O)(=O)N2CCNCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)N1 | 0.456484 | 0.999999 | 0.999619 | 1 | 0.456484 | 27 | -5.91893 | 1 | 0.675593 |
37,462 | evolving | 518 | 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)C(=O)N1CCNC(=O)C1(C)C)C(=O)|N(C)[C@@H](Cc1c[nH]cn1)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@@H](CN(C)C(=O)N1CCNC(=O)C1(C)C)C(=O)N(C)[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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N(C)[C@H](CO)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](Cc3c[nH]cn3)N(C)C(=O)[C@H](CN(C)C(=O)N3CCNC(=O)C3(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CO)N(C)C2=O)C(F)(F)F)CC1 | 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(Cc3c[nH]cn3)NC2=O)CCN1 | 0.436379 | 0.999999 | 0.997943 | 1 | 0.436379 | 27 | -5.18583 | 1 | 0.660363 |
37,463 | evolving | 518 | 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@](O)(CN)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)[C@@H](CC(=O)N)C(=O)N[C@@H]([C@](O)(CN)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@](O)(CN)C(F)(F)F)NC(=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)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.755134 | 0.999999 | 0.999875 | 1 | 0.755134 | 27 | -6.40323 | 1 | 0.868966 |
37,464 | evolving | 518 | 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](CS)C(=O)|N(C)[C@@H](CN(C(C)C)C(=O)N1CCC[C@@H]1CO)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](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](CN(C(C)C)C(=O)N1CCC[C@@H]1CO)C2(=O) | CC(C)N(C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C)C(=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)N1C)C(=O)N1CCC[C@@H]1CO | O=C1CNC(=O)CNC(=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)CN1 | 0.632909 | 0.999999 | 0.679885 | 1 | 0.632909 | 27 | -2.82713 | 1 | 0.746007 |
37,465 | evolving | 518 | 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)NCC1(N(C)C)CCCCC1)C(=O)|N(C)[C@H]([C@H](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](C(=O)NCC1(N(C)C)CCCCC1)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](CCCNC(=N)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)[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(=O)NCC2(N(C)C)CCCCC2)C(=O)N1C | O=C1CNC(=O)C(C(=O)NCC2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.73462 | 0.999999 | 0.971915 | 1 | 0.73462 | 27 | -4.03916 | 1 | 0.85304 |
37,466 | evolving | 518 | 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@@H](C)Cc1cncn1C1CC1)C)C(=O)|N(C)[C@@H](CS)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@@H](C)Cc1cncn1C1CC1)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]([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](CN(C)[C@@H](C)Cc2cncn2C2CC2)C(=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)N1C | O=C1CNC(=O)C(CNCCc2cncn2C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.706031 | 0.999999 | 0.59048 | 1 | 0.706031 | 27 | -2.65893 | 1 | 0.769625 |
37,467 | evolving | 518 | 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](C)NC(=O)[C@H]1CCC(=O)N1)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](CC(=O)N)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]([C@@H](C)O)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]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(N)=O)C(=O)N1C | O=C1CCC(C(=O)NCC2NC(=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)N1 | 0.670877 | 0.999999 | 0.999701 | 1 | 0.670877 | 27 | -6.02443 | 1 | 0.81903 |
37,468 | evolving | 518 | 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]([C@H](CC)NC(=O)c1nonc1N)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](CN1C(=O)CN(C)C1=O)O)C(=O)N(C)[C@@H]([C@H](CC)NC(=O)c1nonc1N)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) | CC[C@H](NC(=O)c1nonc1N)[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)CN2C(=O)CN(C)C2=O)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2cnon2)NC(=O)C(CCN2C(=O)CNC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.778473 | 0.999999 | 0.999824 | 1 | 0.778473 | 27 | -6.25443 | 1 | 0.882285 |
37,469 | evolving | 518 | 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](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](CN1C(=O)CN(C)C1=O)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) | 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](O)CN3C(=O)CN(C)C3=O)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)N(C)C2=O)C(F)(F)F)CC1 | O=C1CNC(=O)C(CCN2C(=O)CNC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.705617 | 0.999999 | 0.999964 | 1 | 0.705617 | 27 | -6.94133 | 1 | 0.840005 |
37,470 | evolving | 518 | 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](CCC(=O)N)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H](CN(C(=O)N1[C@H](CC)CC[C@@H]1C)CC)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCC(=O)N)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](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)C2(=O) | CC[C@@H]1CC[C@H](C)N1C(=O)N(CC)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCC(N)=O)C(=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)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(CNC(=O)N2CCCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.607535 | 0.999999 | 0.824715 | 1 | 0.607535 | 27 | -3.17256 | 1 | 0.754808 |
37,471 | evolving | 518 | 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@@]1(C(C)(C)[C@@H](C(=O)NC)CC1)C)C(=O)|N[C@@H]([C@H](CC)C)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@@]1(C(C)(C)[C@@H](C(=O)NC)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]([C@@H](NC(=O)N1CCN(C)CC1)C(F)(F)F)C(=O)N[C@@H]([C@H](CC)C)C2(=O) | CC[C@H](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@@]2(C)CC[C@H](C(=O)NC)C2(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C2CCCC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.538074 | 0.999999 | 0.203829 | 1 | 0.538074 | 27 | -1.90826 | 1 | 0.562728 |
37,472 | evolving | 518 | 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](CC(=O)N)C(=O)|N(C)[C@@H](CO)C(=O)|N(C)[C@@H]([C@@H](N(CC)C(=O)N1CCOCC1)C)C2(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(=O)N)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]([C@@H](N(CC)C(=O)N1CCOCC1)C)C2(=O) | CCN(C(=O)N1CCOCC1)[C@@H](C)[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=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)N1C | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CNC(=O)N2CCOCC2)NC(=O)C(CNC(=O)N2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.569039 | 0.999999 | 0.998671 | 1 | 0.569039 | 27 | -5.37583 | 1 | 0.754179 |
37,473 | evolving | 518 | 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](CNC(=O)N1CCCN(CCC)C(=O)C1)C(=O)|N(C)[C@@H](CCCNC(=N)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@@H](CNC(=O)N1CCCN(CCC)C(=O)C1)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](CO)C2(=O) | CCCN1CCCN(C(=O)NC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)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)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)CC1=O | O=C1CNC(=O)C(CNC(=O)N2CCCNC(=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 | 0.566439 | 0.999999 | 0.998993 | 1 | 0.566439 | 27 | -5.49666 | 1 | 0.752495 |
37,474 | evolving | 518 | 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](NC(=O)C)[C@H]1CCCOC1)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](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](NC(=O)C)[C@H]1CCCOC1)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) | CC(=O)N[C@@H]([C@H]1CCCOC1)[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](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CC2CCCOC2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNCC2)N1 | 0.618306 | 0.999999 | 0.980066 | 1 | 0.618306 | 27 | -4.19166 | 1 | 0.78369 |
37,475 | evolving | 519 | 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(=O)[C@@H]1CCSC1)C(=O)|N1[C@H](CCC1)C(=O)|N[C@@H]([C@H](C)NC(=O)C[C@@H]1CCNC1)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(=O)[C@@H]1CCSC1)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)NC(=O)C[C@@H]1CCNC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CC(C)N(C[C@@H]1C(=O)N2CCC[C@@H]2C(=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)NC(=O)C[C@@H]2CCNC2)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)C(=O)[C@@H]1CCSC1 | O=C(CC1CCNC1)NCC1NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(CNC(=O)C2CCSC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC1=O | 0.371486 | 0.999999 | 0.772193 | 1 | 0.371486 | 27 | -3.03016 | 1 | 0.583793 |
37,476 | evolving | 519 | 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](c1ncnn1C1CCCC1)C(=O)|N1[C@H](CCC1)C(=O)|N[C@@H](C(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](c1ncnn1C1CCCC1)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(C)(C)NS(=O)(=O)C[C@@H]1CCCO1)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](C(C)(C)NS(=O)(=O)C[C@@H]2CCCO2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H]1c1ncnn1C1CCCC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(c2ncnn2C2CCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNS(=O)(=O)CC2CCCO2)N1 | 0.484501 | 0.999999 | 0.539213 | 1 | 0.484501 | 27 | -2.56826 | 1 | 0.627972 |
37,477 | evolving | 519 | 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(CCC#N)CCC1(F)F)C(=O)|N[C@@H](CCC(=O)N)C(=O)|N[C@@H](CCN(C[C@H]1CC(C)(C)O1)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C[C@]1(CCC#N)CCC1(F)F)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](CCN(C[C@H]1CC(C)(C)O1)C)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN(CC[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](CCC(N)=O)NC(=O)[C@@H](C[C@]2(CCC#N)CCC2(F)F)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)N(C)C1=O)C[C@H]1CC(C)(C)O1 | O=C1CNC(=O)C(CC2CCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCNCC2CCO2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.491451 | 0.999999 | 0.155908 | 1 | 0.491451 | 27 | -1.76648 | 1 | 0.514302 |
37,478 | evolving | 519 | 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](CCC(=O)N1CCCN(CC)C[C@H]1C)C(=O)|N[C@@H](CO)C(=O)|N[C@H](CCN1CCN(CC)CC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CCC(=O)N1CCCN(CC)C[C@H]1C)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](CCN1CCN(CC)CC1)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCN1CCN(CC[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](CCC(=O)N3CCCN(CC)C[C@H]3C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)N(C)C2=O)CC1 | O=C1CNC(=O)C(CCC(=O)N2CCCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CCN2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.419009 | 0.999999 | 0.983967 | 1 | 0.419009 | 27 | -4.28796 | 1 | 0.645568 |
37,479 | evolving | 519 | 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(=O)N[C@H]1CCCSC1)C1CC1)C(=O)|N[C@@H](CO)C(=O)|N[C@H](C(C)(C)NC(=O)CC1CCNCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C(=O)N[C@H]1CCCSC1)C1CC1)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(C)(C)NC(=O)CC1CCNCC1)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](C(C)(C)NC(=O)CC2CCNCC2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CN(C(=O)N[C@H]1CCCSC1)C1CC1 | O=C1CNC(=O)C(CN(C(=O)NC2CCCSC2)C2CC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)CC2CCNCC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.514589 | 0.999999 | 0.938606 | 1 | 0.514589 | 27 | -3.68436 | 1 | 0.709813 |
37,480 | evolving | 519 | 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]([C@@H](N(CC)C(=O)N1CCCNCC1=O)C)C(=O)|N[C@@H](C(C)(C)CN1CCNC(=O)C1(C)C)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]([C@@H](N(CC)C(=O)N1CCCNCC1=O)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(C)(C)CN1CCNC(=O)C1(C)C)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CCN(C(=O)N1CCCNCC1=O)[C@@H](C)[C@@H]1NC(=O)[C@@H](CS)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(C)(C)CN2CCNC(=O)C2(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O | O=C1CN(CCC2NC(=O)CNC(=O)C(Cc3ccccc3)NC(=O)CNC(=O)C(CNC(=O)N3CCCNCC3=O)NC(=O)CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NC(=O)CNC2=O)CCN1 | 0.513283 | 0.999999 | 0.980963 | 1 | 0.513283 | 27 | -4.21206 | 1 | 0.714146 |
37,481 | evolving | 519 | 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)|N1[C@H](CCC1)C(=O)|N[C@@H]([C@@H](N(C)C)CCN)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)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](N(C)C)CCN)C(=O)N(C)[C@@H](CCCNC(=N)N)C2(=O) | CN(C)[C@@H](CCN)[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]2CCCN2C(=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)C1=O | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.493354 | 0.999999 | 0.998653 | 1 | 0.493354 | 27 | -5.37016 | 1 | 0.702234 |
37,482 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H](C(C)C)C(=O)|N[C@@H](C(=O)NCCn1ccnc1)C(=O)|N[C@H](CCCN)C(=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@@H](C(=O)NCCn1ccnc1)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](CCCN)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(=O)NCCn2ccnc2)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](CCCN)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C(=O)NCCn2ccnc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CN1 | 0.386496 | 0.999999 | 0.964052 | 1 | 0.386496 | 27 | -3.92843 | 1 | 0.617906 |
37,483 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N[C@H](CCC(=O)N)C(=O)|N(C)[C@@H](CS)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@H](CCC(=O)N)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](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCC(N)=O)C(=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](CCCNC(=N)N)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.225936 | 0.999999 | 0.995826 | 1 | 0.225936 | 27 | -4.87766 | 1 | 0.474996 |
37,484 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@H](C)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](CCCNC(=N)N)C(=O)N(C)[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](CS)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N(C)[C@H](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](CS)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.53006 | 0.999999 | 0.950252 | 1 | 0.53006 | 27 | -3.78106 | 1 | 0.721887 |
37,485 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@H](C[C@@H](C)N(C)C[C@@H]1CCCSC1)C(=O)|N[C@@H](CCCNC(=N)N)C(=O)|N(C)[C@@H](C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C[C@@H](C)N(C)C[C@@H]1CCCSC1)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)[C@@H](C)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](C[C@@H](C)N(C)C[C@@H]2CCCSC2)C(=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)N(C)[C@@H](C)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CCNCC2CCCSC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CN1 | 0.487085 | 0.999999 | 0.185433 | 1 | 0.487085 | 27 | -1.85726 | 1 | 0.527028 |
37,486 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H](CC(=O)N)C(=O)|N[C@H]([C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)C)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](CC(=O)N)C(=O)N[C@H]([C@@H](CC)NC(=O)[C@@H]1CCCN1C(=O)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)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)[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]([C@H](CC)N2CCN(CCN(C)C)CC2)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 | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)C2CCCN2)N1 | 0.417975 | 0.999999 | 0.972523 | 1 | 0.417975 | 27 | -4.04893 | 1 | 0.643515 |
37,487 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H](CCC(=O)N)C(=O)|N[C@H](CCCNC(=N)N)C(=O)|N(C)[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](CCC(=O)N)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)[C@@H](CC(=O)N)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CCC(N)=O)C(=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)N(C)[C@@H](CC(N)=O)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.498277 | 0.999999 | 0.999188 | 1 | 0.498277 | 27 | -5.58986 | 1 | 0.705791 |
37,488 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H]([C@@H](C)O)C(=O)|N[C@H](CO)C(=O)|N[C@@H]([C@@]1(ONC(=O)C)CCSC1)C(=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@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@@]1(ONC(=O)C)CCSC1)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N[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@@]2(ONC(C)=O)CCSC2)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)C(C2CCSC2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.359246 | 0.999999 | 0.996987 | 1 | 0.359246 | 27 | -5.01973 | 1 | 0.59907 |
37,489 | evolving | 519 | 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]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | N(C)[C@@H](CO)C(=O)|NCC(=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)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](CCCNC(=N)N)C(=O)N(C)[C@@H]([C@H](CC)N1CCN(CCN(C)C)CC1)C2(=O) | CC[C@@H]([C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CO)C(=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](CCCNC(=N)N)C(=O)N1C)N1CCN(CCN(C)C)CC1 | O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CN2CCNCC2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.272862 | 0.999999 | 0.998877 | 1 | 0.272862 | 27 | -5.44926 | 1 | 0.522265 |
37,490 | evolving | 519 | 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](C)C2(=O) | N(C)[C@H](CCN(C[C@@H]1CC(C)(C)O1)C)C(=O)|N[C@@H](CCC(=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](CCN(C[C@@H]1CC(C)(C)O1)C)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](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CCN(C)C[C@@H]2CC(C)(C)O2)C(=O)N[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](CCCNC(=N)N)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CCNCC2CCO2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.39158 | 0.999999 | 0.9578 | 1 | 0.39158 | 27 | -3.85596 | 1 | 0.621283 |
37,491 | evolving | 519 | 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](C)C2(=O) | N[C@@H](CC(C)C)C(=O)|N(C)[C@@H]([C@H](C(C)(C)C)NC(=O)c1nnn[nH]1)C(=O)|N1[C@H](CCC1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H]([C@H](C(C)(C)C)NC(=O)c1nnn[nH]1)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](C)C2(=O) | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)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)[C@H]([C@@H](NC(=O)c2nnn[nH]2)C(C)(C)C)N(C)C1=O | O=C1CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2nnn[nH]2)N1 | 0.4398 | 0.999999 | 0.422363 | 1 | 0.4398 | 27 | -2.36403 | 1 | 0.574436 |
37,492 | evolving | 519 | 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](C)C2(=O) | N(C)[C@H](C[C@H]1CCCN1C(=O)CCn1cccn1)C(=O)|N(C)[C@@H](C)C(=O)|N[C@@H](Cc1c[nH]cn1)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@H](C[C@H]1CCCN1C(=O)CCn1cccn1)C(=O)N(C)[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](Cc1c[nH]cn1)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](C[C@H]2CCCN2C(=O)CCn2cccn2)C(=O)N(C)[C@@H](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](Cc2c[nH]cn2)C(=O)N1C | O=C1CNC(=O)C(CC2CCCN2C(=O)CCn2cccn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.271779 | 0.999999 | 0.375096 | 1 | 0.271779 | 27 | -2.27833 | 1 | 0.442722 |
37,493 | evolving | 519 | 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](C)C2(=O) | N(C)[C@@H]([C@H](CN1CCN(C)CC1)O)C(=O)|N1[C@@H](CCC1)C(=O)|N[C@H](CN(C(=O)c1c(CC)nns1)C)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H]([C@H](CN1CCN(C)CC1)O)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](CN(C(=O)c1c(CC)nns1)C)C(=O)N(C)[C@@H](C)C2(=O) | CCc1nnsc1C(=O)N(C)C[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]2CCCN2C(=O)[C@H]([C@@H](O)CN2CCN(C)CC2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C1=O | O=C1CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(CCN2CCNCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2cnns2)N1 | 0.507192 | 0.999999 | 0.967483 | 1 | 0.507192 | 27 | -3.97353 | 1 | 0.708261 |
37,494 | evolving | 519 | 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](C)C2(=O) | N(C)[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)C(=O)|N[C@@H](CCCN)C(=O)|N[C@H](CN(C)C(=O)N[C@@H]1CC(=O)N(C)C1=O)C(=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]1CCNC(=O)C1)C(=O)N[C@@H](CCCN)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](CN(C)C(=O)N[C@@H]1CC(=O)N(C)C1=O)C(=O)N(C)[C@@H](C)C2(=O) | C[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)[C@@H]2CCNC(=O)C2)C(=O)N[C@@H](CCCN)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](CN(C)C(=O)N[C@@H]2CC(=O)N(C)C2=O)C(=O)N1C | O=C1CNC(=O)C(CNC(=O)C2CCNC(=O)C2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)NC2CC(=O)NC2=O)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.4214 | 0.999999 | 0.999777 | 1 | 0.4214 | 27 | -6.15193 | 1 | 0.649129 |
37,495 | evolving | 519 | 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](C)C2(=O) | N(C)[C@H](CCCNC(=N)N)C(=O)|N[C@@H](CNC(=O)N1CCN(C)C(=O)C1(C)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](CCCNC(=N)N)C(=O)N[C@@H](CNC(=O)N1CCN(C)C(=O)C1(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](CC(=O)N)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CCCNC(=N)N)C(=O)N[C@@H](CNC(=O)N2CCN(C)C(=O)C2(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](CC(N)=O)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)N2CCNC(=O)C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.462808 | 0.999999 | 0.999577 | 1 | 0.462808 | 27 | -5.87326 | 1 | 0.680252 |
37,496 | evolving | 519 | 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](C)C2(=O) | N(C)[C@@H](CN(C)[C@@H]1CC(=O)N(C)C1=O)C(=O)|N(C)[C@@H](CC(=O)N)C(=O)|N[C@H]([C@@H](CC)NC(=O)c1nonc1N)C(=O) | N2[C@@H](Cc1ccc(O)cc1)C(=O)N1[C@@H](CCC1)C(=O)N(C)[C@@H](CN(C)[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](CC)NC(=O)c1nonc1N)C(=O)N(C)[C@@H](C)C2(=O) | CC[C@@H](NC(=O)c1nonc1N)[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](CC(N)=O)N(C)C(=O)[C@H](CN(C)[C@@H]2CC(=O)N(C)C2=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C1=O | O=C1CNC(=O)C(CNC2CC(=O)NC2=O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(CNC(=O)c2cnon2)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.433007 | 0.999999 | 0.999798 | 1 | 0.433007 | 27 | -6.19363 | 1 | 0.65801 |
37,497 | evolving | 519 | 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](C)C2(=O) | N(C)[C@@H](Cn1c(nc(N)n1)Br)C(=O)|N1[C@H](CCC1)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](Cn1c(nc(N)n1)Br)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](CC(=O)N)C(=O)N(C)[C@@H](C)C2(=O) | C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](Cn2nc(N)nc2Br)C(=O)N2CCC[C@@H]2C(=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](CC(N)=O)C(=O)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(Cn2cncn2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.44666 | 0.999999 | 0.982769 | 1 | 0.44666 | 27 | -4.25613 | 1 | 0.666393 |
37,498 | evolving | 519 | 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](CC(C)C)C2(=O) | N(C)[C@@H]([C@H](NC(=O)C)C(=O)N1CCCCC1)C(=O)|N[C@@H](CS)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@H](NC(=O)C)C(=O)N1CCCCC1)C(=O)N[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](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C2(=O) | CC(=O)N[C@H](C(=O)N1CCCCC1)[C@H]1C(=O)N[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](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)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)CNC(=O)C(CC(=O)N2CCCCC2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.49019 | 0.999999 | 0.916008 | 1 | 0.49019 | 27 | -3.53766 | 1 | 0.689973 |
37,499 | evolving | 519 | 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](CC(C)C)C2(=O) | N[C@@H]([C@H](C)NC(=O)c1cnn(CCN)c1)C(=O)|N(C)CC(=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@@H]([C@H](C)NC(=O)c1cnn(CCN)c1)C(=O)N(C)CC(=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)C2(=O) | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@H](C)NC(=O)c2cnn(CCN)c2)C(=O)N(C)CC(=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)N1C | O=C1CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(CNC(=O)c2cn[nH]c2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)CN1 | 0.257359 | 0.999999 | 0.982997 | 1 | 0.257359 | 27 | -4.26203 | 1 | 0.505858 |
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