0 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 O=C1CC[C@H](C(F)F)C1 W19610 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18079 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 O=C1N[C@H](C(F)F)CO1 P18843 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1CSSC1 D82957 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 W11287 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 W11289 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13554 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13555 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,0,1,0,0,0|0,0,2]=3 31 B8R0.9 CC(=O)NNC(=O)CBr C12845 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.28 NC(=O)CNCC(=O)O A10558 [0,0,1,0,0,0|1,0,0]=2 33 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,1,0,0|2,0,1]=4 34 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,0,0,1,0,0|2,0,1]=4 35 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P16397 [0,0,0,1,0,0|1,0,1]=3 36 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 P20232 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,0,0,0,1,0|1,0,1]=3 38 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,0,0,0,1,0|1,0,1]=3 39 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,0,0,0,1,0|2,0,1]=4 40 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.31 CC1CCC1C(=O)O D96793 [0,0,0,0,1,0|1,0,1]=3 42 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,0,0,0,1,0|1,0,1]=3 43 B8R1.31 O=C(O)C1CCC1F P19066 [0,0,0,0,1,0|1,0,1]=3 44 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,0,0,0,0,1|1,0,2]=4 47 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,0,0,0,0,1|2,0,1]=4 50 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,0,0,0,0,1|2,0,1]=4 51 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,0,0,0,0,1|2,0,1]=4 52 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,0,0,0,0,1|1,0,2]=4 54 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [1,0,1,0,0,0|1,0,1]=4 55 B7R1.1 OC[C@@H]1C=CCC1 74782 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,1,0,0,0,0|0,0,1]=3 60 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,1,0,0,0,0|0,0,1]=3 62 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,1,0,0,0,0|0,0,1]=3 65 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,1,0,0,0,0|0,0,1]=3 66 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [1,1,0,0,0,0|0,0,1]=3 67 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [1,1,0,0,0,0|0,0,1]=3 68 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,1,0,0,0,0|0,0,1]=3 69 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.163 N[C@@]1(C(=O)O)CCOC1 C12093 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.164 O=C(O)C1CS(=O)(=O)C1 20475 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,1,0,0,1,0|1,0,1]=4 73 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,0,1,0|1,0,1]=4 74 B9R1.166 O=C(O)[C@H]1CCC1(F)F P10782 [0,1,0,0,1,0|1,0,1]=4 75 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [0,1,0,0,0,1|1,0,1]=4 76 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [0,1,0,0,0,1|1,0,1]=4 77 B11R1.166 C[C@H]1CC(=O)CC[C@@H]1C(=O)O P18309 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.80 CN1C[C@@H](CC(=O)O)CC1=O AC7342 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.23 COC(=O)[C@@H]1COCC(=O)C1 P17472 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.489 CC1(C)CC(=O)N[C@@H]1C(=O)O P20918 [0,2,0,0,0,0|0,0,0]=2 81 B9R1.69 N[C@H]1CCC(=O)NC1=O F12719 [0,0,1,1,0,0|1,0,0]=3 82 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,0,1,1,0,0|2,0,0]=4 83 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18994 [0,0,0,1,0,1|1,0,1]=4 84 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18995 [0,0,0,1,0,1|1,0,1]=4 85 B11R2.66 O=C1C[C@H]2COC(=O)N2C1 81532 [0,0,0,1,0,1|2,0,0]=4 86 B7R1.10 O=C1C[C@H](CI)N1 W18669 [1,0,0,0,1,0|1,0,1]=4 87 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [1,0,0,0,1,0|0,0,1]=3 88 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [1,0,0,0,1,0|0,0,1]=3 89 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,0,1,0|1,0,0]=3 90 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,0,1,0|1,0,0]=3 91 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [0,0,0,0,2,0|1,0,1]=4 92 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [0,0,0,0,2,0|1,0,1]=4 93 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [0,0,0,0,2,0|1,0,1]=4 94 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [0,0,0,0,2,0|1,0,1]=4 95 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [0,0,0,0,2,0|1,0,1]=4 96 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,0,1,0,0,1|1,0,1]=4 97 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,0,1,0,0,1|1,0,1]=4 98 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [1,0,0,0,0,1|1,0,1]=4 99 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [1,0,0,0,0,1|0,0,1]=3