0 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SPC-k184 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)N1CC[C@H](N)C1 SPC-u453 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CN1CC[C@@H](C(=O)O)C1 SPC-v096 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 SPC-k848 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 NC1CCC(C(=O)O)C1 SPC-h180 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SPC-q476 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SPC-t661 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j914 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j915 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 SPC-s047 [0,0,0,0,0,0|0,1,0]=1 12 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SPC-k019 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 SPC-s048 [0,0,0,0,0,0|0,1,0]=1 14 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 SPC-n707 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SPC-g127 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 SPC-k011 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-m778 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-t597 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 SPC-p725 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,0,0,0|0,0,2]=2 25 B9R1.35 O=C1C[C@H](C(=O)O)CN1 SPC-j969 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.1 N#C[C@@H]1C[C@H](F)CN1 SPC-t613 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SPC-h148 [1,0,0,0,0,0|0,0,1]=2 28 B8R1.1 OC[C@@H]1C[C@H](O)CN1 SPC-t928 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.1 OC[C@H]1C[C@H](O)CN1 SPC-r289 [1,0,0,0,0,0|0,0,1]=2 30 B8R1.7 CC(C)[C@@H]1CCCN1 SPC-k578 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 CC(C)[C@H]1CCCN1 SPC-k579 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 FC(F)[C@@H]1CCCN1 SPC-n710 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.14 COC(=O)C1CCC(Br)C1 SPC-q794 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.14 COC(=O)C1CCC(O)C1 SPC-v019 [0,1,0,0,0,0|1,0,0]=2 51 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 SPC-q782 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SPC-n417 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 SPC-q067 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-g812 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 SPC-h676 [0,1,0,0,0,0|1,0,2]=4 56 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 SPC-q175 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 SPC-k674 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SPC-g385 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.31 CC(=O)N1CC[C@H](CO)C1 SPC-s753 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.31 CC(=O)N1CC[C@H](CO)C1 SPC-u524 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F SPC-v663 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n722 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n723 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C SPC-n725 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C SPC-u232 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.359 CC(=O)[C@H]1CCC(F)(F)C1 SPC-k490 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 SPC-t478 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 SPC-h435 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 SPC-m199 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 SPC-n703 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 SPC-h569 [0,1,0,0,0,0|2,0,0]=3 72 B10R2.348 NC(=O)C12CCC(C1)C2 SPC-a820 [0,0,0,1,0,0|3,0,0]=4 73 B10R2.348 O=C(O)C12CCC(C1)C2 SPC-a823 [0,0,0,1,0,0|2,0,0]=3 74 B10R2.355 O=C(O)C1NCC2CC21 SPC-n039 [0,0,0,1,0,0|1,0,0]=2 75 B10R2.357 O=C(O)C1CC2CC2C1 SPC-k476 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,0,0,0,1,0|1,0,1]=3 77 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,0,0,0,1,0|1,0,0]=2 78 B8R1.23 CC(=O)N1CC(N)C1 SPC-h425 [0,0,0,0,1,0|3,0,0]=4 79 B8R1.23 CC(=O)N1CC(O)C1 SPC-h857 [0,0,0,0,1,0|2,0,0]=3 80 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,0,0,0,1,0|1,0,0]=2 81 B8R1.23 CN(C)C1CC(O)C1 SPC-p276 [0,0,0,0,1,0|3,0,0]=4 82 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,0,0,0,1,0|2,0,0]=3 83 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,0,0,0,1,0|1,0,0]=2 84 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,0,0,0,1,0|1,0,0]=2 85 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,0,0,0,1,0|1,0,0]=2 86 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,0,0,0,1,0|1,0,0]=2 87 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,0,0,0,1,0|1,0,0]=2 88 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,0,0,0,1,0|1,0,0]=2 89 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,0,0,0,1,0|1,0,0]=2 90 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,0,0,0,1,0|0,0,0]=1 91 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,0,0,0,1,0|1,0,0]=2 92 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,0,0,0,1,0|0,0,0]=1 93 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,0,0,0,1,0|1,0,0]=2 94 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,0,0,0,1,0|1,0,0]=2 95 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,0,0,0,1,0|0,0,0]=1 96 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,0,0,0,1,0|0,0,2]=3 97 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,0,0,0,1,0|0,0,2]=3 98 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,0,0,0,1,0|1,0,2]=4 99 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,0,0,0,1,0|0,0,2]=3 100 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,0,1,0|3,0,0]=4 101 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,0,1,0|3,0,0]=4 102 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,0,0,1,0|3,0,0]=4 103 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,0,0,1,0|3,0,0]=4 104 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,0,1,0|1,0,0]=2 105 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,0,1,0|2,0,0]=3 107 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.13 CC(=O)N1CCC(O)CC1 SPC-h835 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SPC-m733 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SPC-g845 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.13 O=C(O)C1CCC(F)CC1 SPC-m707 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.13 O=C(O)C1CCC(O)CC1 SPC-t748 [0,0,0,0,0,1|1,0,0]=2 113 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 SPC-m080 [0,0,0,0,0,1|0,0,0]=1 114 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 SPC-q778 [0,0,0,0,0,1|2,0,0]=3 115 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SPC-j863 [0,0,0,0,0,1|1,0,0]=2 116 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 SPC-q777 [0,0,0,0,0,1|2,0,0]=3 117 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 SPC-t808 [0,0,0,0,0,1|1,0,0]=2 118 B10R1.13 O=C1CCC(C(=O)O)CC1 SPC-g716 [0,0,0,0,0,1|1,0,2]=4 119 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 SPC-v713 [0,0,0,0,0,1|0,0,2]=3 120 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 SPC-h266 [0,0,0,0,0,1|1,0,2]=4 121 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 SPC-m806 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-g864 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-m811 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SPC-g914 [0,0,0,0,0,1|2,0,0]=3 125 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 SPC-t571 [0,0,0,0,0,1|1,0,0]=2 126 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 SPC-v191 [0,0,0,0,0,1|1,0,0]=2 127 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 SPC-j634 [0,0,0,0,0,1|1,0,2]=4 128 B7R1.1 C#C[C@@H]1CCCN1 SPC-p226 [2,0,0,0,0,0|1,0,1]=4 129 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [2,0,0,0,0,0|1,0,1]=4 130 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [2,0,0,0,0,0|1,0,1]=4 131 B7R1.1 N#C[C@@H]1CCCN1 SPC-j755 [2,0,0,0,0,0|1,0,1]=4 132 B7R1.1 N#C[C@@H]1CCCN1 SPC-j756 [2,0,0,0,0,0|1,0,1]=4 133 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [2,0,0,0,0,0|1,0,1]=4 134 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [2,0,0,0,0,0|0,0,1]=3 135 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [2,0,0,0,0,0|0,0,1]=3 136 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [2,0,0,0,0,0|1,0,1]=4 137 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [2,0,0,0,0,0|0,0,1]=3 138 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [2,0,0,0,0,0|1,0,1]=4 139 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [2,0,0,0,0,0|0,0,1]=3 140 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [2,0,0,0,0,0|0,0,1]=3 141 B7R1.2 NC1CCC(O)C1 SPC-k139 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [2,0,0,0,0,0|2,0,0]=4 143 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [2,0,0,0,0,0|1,0,1]=4 147 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [2,0,0,0,0,0|1,0,1]=4 148 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [2,0,0,0,0,0|1,0,1]=4 151 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [2,0,0,0,0,0|0,0,1]=3 152 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [2,0,0,0,0,0|0,1,1]=4 153 B7R1.2 OC1CCC(O)C1 SPC-n357 [2,0,0,0,0,0|1,0,0]=3 154 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [2,0,0,0,0,0|1,0,0]=3 155 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [2,0,0,0,0,0|1,0,0]=3 156 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,1,1,0,0,0|1,0,0]=3 157 B9R1.133 OC[C@@H]1CC(F)(F)CN1 SPC-m024 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.133 OC[C@H]1CC(F)(F)CN1 SPC-m258 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j204 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j205 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.11 COC(=O)[C@@H]1CCOC1 SPC-h930 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-g645 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j202 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j203 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-j338 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-q074 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.19 CC(C)(O)[C@@H]1CCCN1 SPC-m459 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.19 O=S(=O)(O)C1CCCC1 SPC-k318 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.41 CN1CCC[C@@H]1C(=O)O SPC-m779 [1,1,0,0,0,0|0,0,0]=2 170 B9R1.41 CN1CCC[C@H]1C(=O)O SPC-h222 [1,1,0,0,0,0|0,0,0]=2 171 B9R1.41 O=C(O)[C@@H]1CCNC1=O SPC-n002 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-h688 [1,1,0,0,0,0|0,0,0]=2 173 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-j849 [1,1,0,0,0,0|0,0,0]=2 174 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-k415 [1,1,0,0,0,0|0,0,0]=2 175 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-u455 [1,1,0,0,0,0|0,0,0]=2 176 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O SPC-k017 [1,1,0,0,0,0|0,0,0]=2 177 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O SPC-k959 [1,1,0,0,0,0|0,0,0]=2 178 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SPC-g584 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.163 C[C@]1(C(=O)O)CCCN1 SPC-g857 [1,1,0,0,0,0|0,0,0]=2 180 B9R1.163 C[C@]1(C(=O)O)CCOC1 SPC-m235 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.163 N[C@@]1(C(=O)O)CCNC1 SPC-t675 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.163 N[C@@]1(C(=O)O)CCOC1 SPC-m540 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.163 O=C(O)[C@]1(F)CCNC1 SPC-r282 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.82 C=C1CC(C(=O)OC)C1 SPC-h791 [0,1,0,0,1,0|1,0,1]=4 185 B9R1.82 COC(=O)C1CC(=O)C1 SPC-g763 [0,1,0,0,1,0|0,0,2]=4 186 B9R1.82 COC(=O)C1CC(Br)C1 SPC-h673 [0,1,0,0,1,0|1,0,0]=3 187 B9R1.82 COC(=O)C1CC(Cl)C1 SPC-h318 [0,1,0,0,1,0|1,0,0]=3 188 B9R1.82 COC(=O)C1CC(N)C1 SPC-k185 [0,1,0,0,1,0|1,0,0]=3 189 B9R1.82 COC(=O)C1CC(O)C1 SPC-h741 [0,1,0,0,1,0|0,0,0]=2 190 B9R1.82 COC(=O)N1CC(O)C1 SPC-q678 [0,1,0,0,1,0|1,0,0]=3 191 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SPC-h432 [0,1,0,0,1,0|0,0,0]=2 192 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 SPC-i358 [0,1,0,0,1,0|1,0,0]=3 193 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SPC-h525 [0,1,0,0,1,0|0,0,0]=2 194 B9R1.82 O=C(CCl)N1CC(O)C1 SPC-u464 [0,1,0,0,1,0|2,0,0]=4 195 B9R1.95 COC1CC(C(=O)O)C1 SPC-i683 [0,1,0,0,1,0|0,0,0]=2 196 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 SPC-i655 [0,1,0,0,1,0|0,0,0]=2 197 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 SPC-i033 [0,1,0,0,1,0|0,0,0]=2 198 B9R1.95 NCC1CC(C(=O)O)C1 SPC-m330 [0,1,0,0,1,0|1,0,0]=3 199 B9R1.152 C=C1CC(C)(C(=O)O)C1 SPC-m876 [0,1,0,0,1,0|1,0,1]=4 200 B9R1.152 CC1(C(=O)O)CC(=O)C1 SPC-i556 [0,1,0,0,1,0|0,0,2]=4 201 B9R1.152 NC1(C(=O)O)CC(F)C1 SPC-q732 [0,1,0,0,1,0|1,0,0]=3 202 B9R1.152 NC1(C(=O)O)CC(O)C1 SPC-s756 [0,1,0,0,1,0|0,0,0]=2 203 B9R1.164 CC(=O)C1CC(F)(F)C1 SPC-i626 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,1,0,0,1,0|1,0,0]=3 205 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,1,0,0,1,0|0,0,0]=2 206 B9R1.164 O=C(O)C1CC(F)(F)C1 SPC-a128 [0,1,0,0,1,0|1,0,0]=3 207 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-q173 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-u663 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,1,0,0,1,0|1,0,0]=3 210 B9R1.96 N#CC1CCC1C(=O)O SPC-p215 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.3 CCC1CCC(C(=O)O)CC1 SPC-u328 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 SPC-t150 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 SPC-k560 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 SPC-m680 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 SPC-q473 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 SPC-q174 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 SPC-q518 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 SPC-v302 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 SPC-g639 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SPC-g600 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 SPC-k188 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.23 COC(=O)C1CNCC(C)C1 SPC-n448 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 SPC-u651 [0,1,0,0,0,1|0,0,2]=4 225 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 SPC-t643 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 SPC-v329 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 SPC-u846 [0,1,0,0,0,1|1,0,0]=3 228 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 SPC-v379 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 SPC-q176 [0,1,0,0,0,1|1,0,0]=3 230 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 SPC-k018 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 SPC-m210 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 SPC-m259 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.866 COC(=O)[C@H]1CCC(F)(F)C1 SPC-h511 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.50 CO[C@@H]1C[C@@H](C(=O)O)N(C)C1 SPC-k677 [0,2,0,0,0,0|0,0,0]=2 235 B11R1.50 CO[C@@H]1C[C@H](C(=O)O)N(C)C1 SPC-p964 [0,2,0,0,0,0|0,0,0]=2 236 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 SPC-k678 [0,2,0,0,0,0|0,0,0]=2 237 B11R1.50 CO[C@H]1C[C@H](C(=O)O)N(C)C1 SPC-p965 [0,2,0,0,0,0|0,0,0]=2 238 B11R1.488 CN1CC(C)(C)C[C@H]1C(=O)O SPC-q058 [0,2,0,0,0,0|1,0,0]=3 239 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-n720 [0,0,1,1,0,0|2,0,0]=4 240 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-q233 [0,0,1,1,0,0|2,0,0]=4 241 B9R1.6 O=C(O)[C@@H]1CNCCN1 SPC-g431 [0,0,1,1,0,0|1,0,0]=3 242 B9R1.6 O=C(O)[C@@H]1CNCCN1 SPC-t247 [0,0,1,1,0,0|1,0,0]=3 243 B9R1.6 O=C(O)[C@H]1CCCCO1 SPC-q612 [0,0,1,1,0,0|2,0,0]=4 244 B9R1.6 O=C(O)[C@H]1CCCNC1 SPC-r406 [0,0,1,1,0,0|2,0,0]=4 245 B9R1.6 O=C(O)[C@H]1CCCOC1 SPC-g817 [0,0,1,1,0,0|1,0,0]=3 246 B9R1.6 O=C(O)[C@H]1CCCSC1 SPC-j750 [0,0,1,1,0,0|1,1,0]=4 247 B9R1.6 O=C(O)[C@H]1CNCCN1 SPC-g459 [0,0,1,1,0,0|1,0,0]=3 248 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,0,1,1,0,0|2,0,0]=4 249 B9R1.119 CC[C@@]1(C(=O)O)CCO1 SPC-v336 [0,0,1,1,0,0|1,0,0]=3 250 B9R1.179 NCCC1(C(=O)O)CC1 SPC-k073 [0,0,1,1,0,0|2,0,0]=4 251 B9R1.179 NCCC1(C(=O)O)CC1 SPC-q540 [0,0,1,1,0,0|2,0,0]=4 252 B9R1.179 O=C(O)C1(CCCl)CC1 SPC-q812 [0,0,1,1,0,0|2,0,0]=4 253 B9R1.53 NC1CC(CC(=O)O)C1 SPC-i741 [0,0,1,1,0,0|2,0,0]=4 254 B9R2.39 OC1CC2CNC1C2 SPC-m956 [1,0,0,1,0,0|1,0,1]=4 255 B9R2.148 O=C(O)C1C2CCC21 SPC-w002 [1,0,0,1,0,0|1,0,0]=3 256 B9R2.145 CC(=O)C12CC(C1)C2 SPC-a956 [0,0,0,1,1,0|2,0,0]=4 257 B9R2.145 NC(=O)C12CC(C1)C2 SPC-a766 [0,0,0,1,1,0|2,0,0]=4 258 B9R2.145 O=C(O)C12CC(C1)C2 SPC-a121 [0,0,0,1,1,0|1,0,0]=3 259 B11R2.1839 O=C(O)C12CCC(CC1)C2 SPC-a486 [0,0,0,1,0,1|2,0,0]=4 260 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 SPC-q716 [0,0,0,1,0,1|2,0,0]=4 261 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 SPC-u992 [0,0,0,1,0,1|2,0,0]=4 262 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 SPC-q715 [0,0,0,1,0,1|2,0,0]=4 263 B11R2.1826 O=C(O)C12CC(CCN1)C2 SPC-i471 [0,0,0,1,0,1|1,0,0]=3 264 B11R2.1826 O=C(O)C12CCCC(C1)C2 SPC-a528 [0,0,0,1,0,1|2,0,0]=4 265 B11R2.1837 O=C(O)C1NCCC2CC21 SPC-v678 [0,0,0,1,0,1|1,0,0]=3 266 B11R2.914 COC(=O)C1CC2OC2C1 SPC-j968 [0,1,0,1,0,0|1,0,0]=3 267 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 SPC-m822 [0,1,0,1,0,0|1,0,0]=3 268 B11R2.2454 NC12CCC(C(=O)O)(C1)C2 SPC-a810 [0,1,0,1,0,0|2,0,0]=4 269 B11R2.2454 O=C(O)C12CCC(F)(C1)C2 SPC-o058 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [1,0,0,0,1,0|2,0,0]=4 271 B7R1.10 N#CC1CC(O)C1 SPC-i870 [1,0,0,0,1,0|1,0,1]=4 272 B7R1.10 N#C[C@H]1C[C@@H](O)C1 SPC-u824 [1,0,0,0,1,0|1,0,1]=4 273 B7R1.10 N#C[C@H]1C[C@H](O)C1 SPC-v028 [1,0,0,0,1,0|1,0,1]=4 274 B7R1.10 NC1CC(CO)C1 SPC-h550 [1,0,0,0,1,0|1,0,1]=4 275 B7R1.10 NCC1CC(O)C1 SPC-i622 [1,0,0,0,1,0|1,0,1]=4 276 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [1,0,0,0,1,0|1,0,1]=4 277 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [1,0,0,0,1,0|1,0,1]=4 278 B7R1.10 OCC1CC(Cl)C1 SPC-h593 [1,0,0,0,1,0|1,0,1]=4 279 B7R1.10 OCC1CC(F)C1 SPC-s675 [1,0,0,0,1,0|1,0,1]=4 280 B7R1.10 OCC1CC(O)C1 SPC-v198 [1,0,0,0,1,0|0,0,1]=3 281 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,0,1,0|1,0,0]=3 282 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,0,1,0|2,0,0]=4 283 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [1,0,0,0,1,0|1,0,1]=4 284 B7R1.18 N=C(N)C1CCC1 SPC-h880 [1,0,0,0,1,0|2,0,0]=4 285 B7R1.18 NC(=O)C1CNC1 SPC-h816 [1,0,0,0,1,0|2,0,0]=4 286 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,0,1,0|0,0,0]=2 287 B7R1.18 O=C(O)C1CNC1 SPC-g671 [1,0,0,0,1,0|1,0,0]=3 288 B7R1.18 O=C(O)C1COC1 SPC-a017 [1,0,0,0,1,0|1,0,0]=3 289 B7R1.18 O=C(O)C1CSC1 SPC-a106 [1,0,0,0,1,0|1,0,0]=3 290 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,0,1,0|0,0,0]=2 291 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,0,1,0|0,0,0]=2 292 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,0,1,0|1,0,0]=3 293 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,0,1,0|1,0,0]=3 294 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,0,1,0|0,0,0]=2 295 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,0,1,0|1,0,0]=3 296 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,0,2,0|1,0,0]=3 297 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,0,2,0|1,0,0]=3 298 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,0,2,0|1,0,0]=3 299 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,0,2,0|1,0,0]=3 300 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,0,2,0|1,0,0]=3 301 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,0,2,0|1,0,0]=3 302 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,0,2,0|1,0,0]=3 303 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,0,2,0|1,0,0]=3 304 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,0,2,0|1,0,0]=3 305 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,0,2,0|1,0,0]=3 306 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,0,2,0|1,0,0]=3 307 B9R1.13 O=C(O)CC1CCCC1 SPC-k446 [1,0,0,0,0,1|1,0,0]=3 308 B9R1.13 O=C(O)C[C@@H]1CCNC1 SPC-s817 [1,0,0,0,0,1|2,0,0]=4 309 B9R1.13 O=C(O)C[C@H]1CCNC1 SPC-j407 [1,0,0,0,0,1|2,0,0]=4 310 B9R1.13 O=C(O)C[C@H]1CCOC1 SPC-v310 [1,0,0,0,0,1|2,0,0]=4