0 B9R0.37 CCN(CC)C(=O)CCN P38701 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.37 CCOC(=O)C(C=O)C=O G-6673 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.3 C=C(CO)C(=O)OCC F-4649 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.3 CCOC(=O)C(C)CN P40244 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.3 CCOC(=O)C(N)CC P37453 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.3 CCOC(=O)C(O)CC P37661 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.101 CCOC(=O)C(C=O)C(C)C Q69373 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.11 CCOC(=O)C1CCNC1 P35998 [0,0,0,1,0,0|1,0,0]=2 11 B10R1.11 CCOC(=O)[C@@H]1CCNC1 P47011 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.11 CCOC(=O)[C@H]1CCNC1 P47010 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.11 N#CCC(=O)C1CCCC1 G-7566 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.11 NCCC(=O)N1CCCC1 P36713 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.11 O=C(CCCl)N1CCCC1 P36937 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.139 CCOC(=O)C1OCC1=O Q54749 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.405 CCOC(=O)C1(CO)CC1 P38485 [0,0,0,1,0,0|1,0,0]=2 18 B7R0.7 CCNC(=O)CCN P36830 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.7 CCNC(=O)CNC P35209 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.7 CCNC(=O)CNC P39556 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 CCOC(=O)CCI P36879 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.7 CCOC(=O)NCO Q69358 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.10 CCC(=O)N(C)OC P42839 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.10 CCN(C)C(=O)CN P36486 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.10 COC(=O)C(C)CN P35475 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.10 COC(=O)[C@@H](N)CN P41137 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.15 CCC(NC)C(=O)O P42253 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.6 CCOC(=O)C(Br)C(C)=O O32531 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.19 CCOC(=O)C(C)(C)NC O31582 [1,1,0,0,0,0|1,0,0]=3 36 B9R0.19 CCOC(=O)C(F)(F)CN M23453 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.35 C#CCC(N)C(=O)OCC P40977 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O P34826 [1,1,0,0,0,0|1,0,0]=3 39 B11R0.56 CCOC(=O)[C@H](CS)NC(C)=O O32426 [0,2,0,0,0,0|1,0,1]=4 40 B11R0.61 CCOC(=O)C(CC=O)CC=O F-4240 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.172 CCN(CC)C(=O)OC(C)(C)C M23679 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.3 CC1CCCC(=O)C1C Q59611 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.5 N[C@H]1CCCCNC1=O O34512 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.15 CNC1CCCCC1=O O32079 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.15 COC1CCCCC1=O P44670 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.69 CC1CCC(=O)OC1=O Q61441 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.73 CCCC(=O)C1CCC1 P45625 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.73 CCNC(=O)C1CNC1 P48513 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.73 CCNC(=O)C1CNC1 P48516 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.73 CCOC(=O)C1CCN1 P40788 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.73 CCOC(=O)C1CNC1 C-2881 [1,0,0,1,0,0|1,0,0]=3 54 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.74 CCOC(=O)C1(N)CC1 P38137 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.74 CCOC(=O)C1(O)CC1 Q52263 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.132 CCN1CCC(N)C1=O Q59433 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.183 CCOC(=O)C1N=C1C K16119 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.81 COC(=O)C1CCC1N P48812 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.81 COC(=O)C1CCN1C P45741 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.81 COC(=O)C1CNC1C L14496 [1,0,0,1,0,0|1,0,0]=3 62 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.190 COC(=O)C1(C=O)CC1 P44982 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.190 COC(=O)C1(CN)CC1 P42475 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.190 COC(=O)C1(CO)CC1 P35509 [1,0,0,1,0,0|1,0,0]=3 75 B11R1.30 CCNC(=O)NC1CCNC1 Q59389 [0,0,0,1,0,1|2,0,0]=4 76 B11R1.30 CCOC(=O)CC1CCCC1 P40330 [0,0,0,1,0,1|0,0,0]=2 77 B11R1.30 CCOC(=O)CC1CCCN1 Q52351 [0,0,0,1,0,1|1,0,0]=3 78 B11R1.30 CCOC(=O)CC1CCNC1 P36404 [0,0,0,1,0,1|1,0,0]=3 79 B11R1.200 CCOC(=O)C1CCC1CO P44904 [0,0,0,1,0,1|1,0,0]=3 80 B11R1.1088 CCC1(CC)C(=O)CC1OC P48411 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.404 COC1(OC)CCOCC1=O I-9939 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.15 CCNC(=O)N1CCC(N)C1 Q59186 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.15 CCOC(=O)C1CCC(=O)C1 I-9443 [0,1,0,1,0,0|0,0,1]=3 84 B11R1.15 CCOC(=O)C1CCN(C)C1 P41243 [0,1,0,1,0,0|0,0,0]=2 85 B11R1.15 CCOC(=O)N1CCC(=O)C1 G-6360 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 G-7751 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.16 CCNC(=O)[C@@H]1CCCNC1 P35512 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.16 CCOC(=N)C1CCNCC1 Q65272 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.16 CCOC(=O)C1CCC=CO1 I-9946 [0,1,0,1,0,0|0,0,2]=4 90 B11R1.16 CCOC(=O)C1CCCCO1 Q54673 [0,1,0,1,0,0|0,0,0]=2 91 B11R1.16 CCOC(=O)C1CNCCN1 O33318 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.16 CCOC(=O)C1CNCCO1 B-1164 [0,1,0,1,0,0|1,0,0]=3 93 B11R1.16 CCOC(=O)C1COCCN1 B-1161 [0,1,0,1,0,0|1,0,0]=3 94 B11R1.16 CCOC(=O)C1CSCCN1 A-594 [0,1,0,1,0,0|1,0,0]=3 95 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 P42127 [0,1,0,1,0,0|0,0,0]=2 96 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 L13778 [0,1,0,1,0,0|0,0,0]=2 97 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 B-1166 [0,1,0,1,0,0|1,0,0]=3 98 B11R1.16 CCOC(=O)[C@@H]1COCCN1 B-1163 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.16 CCOC(=O)[C@H]1CCCCN1 P40324 [0,1,0,1,0,0|0,0,0]=2 100 B11R1.16 CCOC(=O)[C@H]1CCCNC1 G-6210 [0,1,0,1,0,0|0,0,0]=2 101 B11R1.16 CCOC(=O)[C@H]1CCCNC1 L13783 [0,1,0,1,0,0|0,0,0]=2 102 B11R1.16 CCOC(=O)[C@H]1CNCCO1 B-1165 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.16 CCOC(=O)[C@H]1COCCN1 B-1162 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.16 COCC(=O)C1CCOCC1 Q57791 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.199 CCOC(=O)C1CCNC1=O L14056 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O 10695 [0,1,0,1,0,0|0,0,0]=2 107 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1O Q53613 [0,1,0,1,0,0|1,0,0]=3 108 B11R1.199 CCOC(=O)[C@@H]1NCC[C@@H]1O H-8433 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1O Q61739 [0,1,0,1,0,0|0,0,0]=2 110 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N Q57083 [0,1,0,1,0,0|0,0,0]=2 111 B11R1.831 CCOC(=O)C1(C#N)CCC1 P45827 [0,1,0,1,0,0|1,0,1]=4 112 B11R1.831 CCOC(=O)C1(CC)CCC1 L21638 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.831 CCOC(=O)C1(CN)CCC1 P44363 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.831 CCOC(=O)C1(CN)CCC1 P48953 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.831 CCOC(=O)C1(CO)CCC1 P42361 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.31 CON(C)C(=O)C1CCCC1 P40693 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.835 CCOC(=O)C1(C(C)=O)CC1 P38791 [0,1,0,1,0,0|0,0,1]=3 118 B11R1.819 CCOC(=O)C1(Br)CCCC1 Q56218 [0,1,0,1,0,0|0,0,0]=2 119 B11R1.819 CCOC(=O)C1(C)CCCN1 Q59254 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.819 CCOC(=O)C1(C)CCNC1 Q59187 [0,1,0,1,0,0|1,0,0]=3 121 B11R1.819 CCOC(=O)C1(C)CCNC1 Q59188 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.819 CCOC(=O)C1(N)CCCC1 P39541 [0,1,0,1,0,0|0,0,0]=2 123 B11R1.829 CCOC(=O)C1(C)CCC1=O P47306 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.77 CC(C)NC(=O)N1CCCC1 L19218 [0,1,0,1,0,0|2,0,0]=4 125 B11R2.106 O=C1CCNC2CCCC12 Q52630 [0,0,0,2,0,0|2,0,0]=4 126 B11R2.106 O=C1OCCC2CCNC12 Q57853 [0,0,0,2,0,0|1,0,0]=3 127 B11R2.106 O=C1OCCC2CCNC12 Q57854 [0,0,0,2,0,0|1,0,0]=3 128 B11R2.3 O=C1CCCC12CCCN2 Q53939 [0,0,0,2,0,0|2,0,0]=4 129 B11R2.3 O=C1CCCC12CCCO2 Q53938 [0,0,0,2,0,0|2,0,0]=4 130 B11R2.3 O=C1CCC[C@]12CCCN2 Q53940 [0,0,0,2,0,0|2,0,0]=4 131 B11R2.3 O=C1NCCC12CCCN2 Q52660 [0,0,0,2,0,0|2,0,0]=4 132 B11R2.3 O=C1NCCC12CCCN2 Q52661 [0,0,0,2,0,0|2,0,0]=4 133 B11R2.3 O=C1NCCC12CCNC2 G-7652 [0,0,0,2,0,0|2,0,0]=4 134 B11R2.3 O=C1NCCC12CCNC2 Q61783 [0,0,0,2,0,0|2,0,0]=4 135 B11R2.63 CN1C2CCC(=O)C1CC2 L13858 [0,0,0,2,0,0|2,0,0]=4 136 B11R2.63 CN1C2CCC1C(=O)NC2 P45941 [0,0,0,2,0,0|2,0,0]=4 137 B11R2.63 CN1[C@@H]2CCC(=O)[C@H]1CC2 P45463 [0,0,0,2,0,0|2,0,0]=4 138 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [1,0,0,0,0,1|2,0,0]=4 139 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [1,0,0,0,0,1|2,0,0]=4