0 B8R1.7 FC(F)[C@@H]1CCCN1 P13393 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 FC(F)[C@@H]1CCCN1 P14708 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=C(O)C1CSSC1 D82957 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 C#C[C@@H]1CCCN1 86321 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.1 C#C[C@@H]1CCCN1 C90741 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,0,0,0|1,0,1]=3 7 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.19 CC(C)(O)[C@@H]1CCCN1 C76614 [0,1,0,0,0,0|1,0,1]=3 10 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 S11070 [0,1,0,0,0,0|1,0,1]=3 12 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.41 C[C@H](O)[C@@H]1CCCN1C P20727 [0,1,0,0,0,0|1,0,1]=3 18 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,1,0,0,0,0|0,0,0]=1 19 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,1,0,0,0,0|0,0,0]=1 25 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,1,0,0,0,0|0,0,0]=1 26 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,1,0,0,0,0|0,0,0]=1 27 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,1,0,0,0,0|0,0,0]=1 28 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.163 N[C@@]1(C(=O)O)CCOC1 C12093 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.4 CC(=O)OCCCO Y14698 [0,0,1,0,0,0|3,0,0]=4 31 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,0,1,0,0,0|1,0,0]=2 32 B9R2.2 C1CN[C@H](C2CC2)C1 Y14781 [0,0,0,1,0,0|2,0,1]=4 33 B9R2.2 C1CN[C@H](C2CC2)C1 Y14782 [0,0,0,1,0,0|2,0,1]=4 34 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,1,0,0|2,0,0]=3 35 B9R2.39 OC1CC2CNC1C2 P15968 [0,0,0,1,0,0|1,0,1]=3 36 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [0,0,0,1,0,0|1,0,1]=3 37 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,0,0,0,1,0|2,0,1]=4 39 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,0,0,0,1,0|2,0,1]=4 40 B7R1.18 C[C@H](O)C1COC1 AT20599 [0,0,0,0,1,0|2,0,1]=4 41 B7R1.18 C[C@H](O)C1COC1 AT20601 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [0,0,0,0,1,0|1,0,0]=2 43 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [0,0,0,0,1,0|1,0,0]=2 44 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 79803 [0,0,0,0,0,1|1,0,1]=3 45 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,0,0,0,0,1|1,0,0]=2 46 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,0,0,0,0,1|1,0,0]=2 47 B6R0.3 C=C[C@H](N)C(=O)O F31036 [1,0,1,0,0,0|0,0,2]=4 48 B6R0.3 C[C@@H](CN)C(=O)O 31999 [1,0,1,0,0,0|1,0,0]=3 49 B6R0.3 N[C@H](CS)S(=O)O D72263 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.9 C\C=C(\C=O)CC AC9866 [1,0,1,0,0,0|1,0,1]=4 51 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,1,1,0,0,0|1,0,0]=3 52 B8R0.7 NCCOCCC(=O)O C72750 [0,1,1,0,0,0|0,0,0]=2 53 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,1,1,0,0,0|1,0,0]=3 54 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,1,1,0,0,0|1,0,1]=4 55 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,1,1,0,0,0|1,0,1]=4 56 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,1,1,0,0,0|1,0,1]=4 57 B8R0.28 NC(=O)CNCC(=O)O A10558 [0,1,1,0,0,0|1,0,1]=4 58 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,1,1,0,0,0|1,0,0]=3 59 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19556 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.36 CCC(F)(CC)C(=O)O F16821 [0,1,1,0,0,0|1,0,0]=3 63 B8R1.1 CC1CCC(CO)C1 72724 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [1,1,0,0,0,0|0,0,1]=3 65 B8R1.1 FC[C@@H]1C[C@H](F)CN1 73101 [1,1,0,0,0,0|1,0,1]=4 66 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [1,1,0,0,0,0|0,0,1]=3 67 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [1,1,0,0,0,0|0,0,1]=3 68 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.11 CC1CCCC1CO 72730 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [1,1,0,0,0,0|0,0,1]=3 72 B8R1.23 CC(=O)C1CC(O)C1 P17906 [0,1,0,0,1,0|1,0,0]=3 73 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [0,1,0,0,1,0|0,0,0]=2 74 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [0,1,0,0,1,0|0,0,0]=2 75 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [0,1,0,0,1,0|0,0,0]=2 76 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [0,1,0,0,1,0|0,0,0]=2 77 B8R1.31 CC1CCC1C(=O)O D96793 [0,1,0,0,1,0|0,0,0]=2 78 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,1,0,0,1,0|0,0,0]=2 79 B8R1.31 O=C(O)C1CCC1F P19066 [0,1,0,0,1,0|0,0,0]=2 80 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,1,0,0,1,0|1,0,0]=3 81 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [0,1,0,0,1,0|1,0,1]=4 82 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [0,1,0,0,1,0|1,0,1]=4 83 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [0,1,0,0,1,0|1,0,1]=4 84 B8R1.38 O=C(CCl)C1CCC1 P19145 [0,1,0,0,1,0|1,0,0]=3 85 B8R1.55 CC(C)(O)[C@@H]1CCN1 P17617 [0,1,0,0,1,0|1,0,1]=4 86 B8R1.55 CC(C)(O)[C@@H]1CCN1 P18874 [0,1,0,0,1,0|1,0,1]=4 87 B8R1.78 O=C(O)C1(F)CCC1 85747 [0,1,0,0,1,0|0,0,0]=2 88 B8R1.78 O=C(O)C1(F)CNC1 38639 [0,1,0,0,1,0|1,0,0]=3 89 B8R1.78 O=C(O)C1(O)COC1 P17225 [0,1,0,0,1,0|1,0,0]=3 90 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.13 NC(=O)[C@@H]1CC[C@@H](N)CO1 D97069 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [0,1,0,0,0,1|1,0,0]=3 95 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,1,0,0,0,1|0,0,0]=2 97 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,0,0,1|1,0,0]=3 98 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,0,0,1|1,0,0]=3 99 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,1,0,0,0,1|0,0,0]=2 100 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,1,0,0,0,1|0,0,0]=2 101 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,1,0,0,0,1|0,0,0]=2 102 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,1,0,0,0,1|0,0,0]=2 103 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,1,0,0,0,1|0,0,0]=2 104 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,1,0,0,0,1|0,0,0]=2 105 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 C10522 [0,1,0,0,0,1|0,0,0]=2 107 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 P17191 [0,1,0,0,0,1|0,0,0]=2 108 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D76456 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D79579 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,1,0,0,0,1|1,0,0]=3 111 B10R1.11 CCOC(=O)[C@@H]1CCON1 AT25326 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 P18209 [0,2,0,0,0,0|0,0,0]=2 117 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 E70292 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.149 COC(=O)[C@@H]1OCCC1=O P20904 [0,2,0,0,0,0|1,0,1]=4 120 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [0,2,0,0,0,0|0,0,1]=3 121 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O 93284 [0,2,0,0,0,0|0,0,0]=2 122 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15809 [0,2,0,0,0,0|0,0,0]=2 123 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,2,0,0,0,0|0,0,0]=2 124 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,2,0,0,0,0|0,0,0]=2 125 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 61319 [0,2,0,0,0,0|0,0,0]=2 126 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13554 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13555 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [0,2,0,0,0,0|0,0,0]=2 129 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D79611 [0,2,0,0,0,0|1,0,0]=3 130 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D79612 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D97083 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 D77246 [0,2,0,0,0,0|0,0,0]=2 133 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,0,1,1,0,0|1,0,1]=4 135 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,0,1,1,0,0|1,0,1]=4 136 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,0,1,1,0,0|1,0,1]=4 138 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,0,1,1,0,0|1,0,1]=4 139 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,0,1,1,0,0|1,0,0]=3 140 B8R1.43 O=C(O)C1CC1CF P19356 [0,0,1,1,0,0|1,0,0]=3 141 B8R1.48 NC[C@H]1CCS1(=O)=O P19377 [0,0,1,1,0,0|1,0,1]=4 142 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,0,1,1,0,0|1,0,1]=4 143 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,0,1,1,0,0|1,0,1]=4 144 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,1,1,0,0|1,0,1]=4 145 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,1,1,0,0|1,0,1]=4 146 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [1,0,0,1,0,0|1,0,1]=4 147 B8R2.55 C1CNC2(C1)CC2 38518 [1,0,0,1,0,0|1,0,1]=4 148 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,1,1,0|1,0,0]=3 149 B10R2.344 O=C(O)C12CCCC1C2 D96790 [0,0,0,1,0,1|1,0,0]=3 150 B10R2.344 O=C(O)C12CCNC1C2 91926 [0,0,0,1,0,1|1,0,0]=3 151 B10R2.344 O=C(O)C12CNCC1C2 38335 [0,0,0,1,0,1|0,0,0]=2 152 B10R2.351 O=C(O)C1C2CNCC21 60015 [0,0,0,1,0,1|1,0,0]=3 153 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P15778 [0,0,0,1,0,1|0,0,0]=2 154 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P15783 [0,0,0,1,0,1|0,0,0]=2 155 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P16397 [0,0,0,1,0,1|0,0,0]=2 156 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 P20232 [0,0,0,1,0,1|0,0,0]=2 157 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,1,0,1,0,0|1,0,0]=3 158 B10R2.178 O=C1NCC2CCC1C2 C73267 [0,1,0,1,0,0|2,0,0]=4 159 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10808 [0,1,0,1,0,0|1,0,0]=3 160 B10R2.348 O=C(O)C12CC(CO1)C2 AT20089 [0,1,0,1,0,0|1,0,0]=3 161 B6R1.6 C#CC1CCC1 P19139 [1,0,0,0,1,0|1,0,1]=4 162 B6R1.6 N#CC1CCN1 AT24531 [1,0,0,0,1,0|1,0,1]=4 163 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,0,0,1|1,0,1]=4 164 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,0,0,1|1,0,1]=4 165 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,0,0,1|1,0,1]=4 166 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,0,0,1|1,0,1]=4 167 B8R1.2 FC[C@H]1CNCCN1 AT11399 [1,0,0,0,0,1|1,0,1]=4 168 B8R1.2 N#C[C@@H]1CNCCN1 C10786 [1,0,0,0,0,1|1,0,1]=4 169 B8R1.2 NN[C@H]1CCCNC1 D79855 [1,0,0,0,0,1|2,0,0]=4 170 B8R1.2 NN[C@H]1CCCNC1 D79875 [1,0,0,0,0,1|2,0,0]=4 171 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,0,0,1|1,0,1]=4 172 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,0,0,1|1,0,1]=4 173 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,0,0,1|1,0,1]=4 174 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,0,0,1|1,0,1]=4 175 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [0,0,0,0,0,2|1,0,0]=3 176 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,0,0,2|0,0,0]=2 177 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,0,0,2|0,0,0]=2