0 B9R0.5 CCCCCC(O)CCO O28430 [1,0,0,0,0,0|1,0,0]=2 1 B9R0.5 CCCCCN(C)CCO Q66064 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.124 CC(C)N1CCC(CCN)C1 Q59441 [0,0,0,1,0,0|2,0,0]=3 3 B11R1.157 CC(C)CC1CC(N)CCO1 Q57695 [0,0,0,1,0,0|1,0,0]=2 4 B11R1.166 CC(C)C1CCC(=O)CC1C Q59588 [0,0,0,1,0,0|2,0,1]=4 5 B11R1.172 CC(C)CSCC1CCCN1 L19737 [0,0,0,1,0,0|3,0,0]=4 6 B11R1.172 CC(C)CSCC1CCCN1 Q59437 [0,0,0,1,0,0|3,0,0]=4 7 B11R1.172 CN(C)CCOC1CCNC1 Q59195 [0,0,0,1,0,0|3,0,0]=4 8 B8R0.7 CCNCCCN(C)C G-7104 [2,0,0,0,0,0|2,0,0]=4 9 B8R0.7 CN(C)CCCCCN P38845 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.4 NCCCCCCCO P40165 [2,0,0,0,0,0|1,0,0]=3 11 B8R0.4 OCCCNCCCO F-4132 [2,0,0,0,0,0|2,0,0]=4 12 B8R0.4 OCCCNCCCO O29405 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.4 OCCCOCCCO P39459 [2,0,0,0,0,0|2,0,0]=4 14 B8R0.1 CCCCN(C)CCO Q66068 [2,0,0,0,0,0|1,0,0]=3 15 B10R0.98 CC(C)CCCC(N)C(=O)O P37369 [1,1,0,0,0,0|1,0,1]=4 16 B10R0.98 CC(C)CCC[C@H](N)C(=O)O M22853 [1,1,0,0,0,0|1,0,1]=4 17 B10R0.4 CN(C)CCNCCCCO Q69706 [1,1,0,0,0,0|1,0,0]=3 18 B10R0.1 CCCCCCN(C)CCO Q66066 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.13 CC(=O)C1CCC(C)CC1 P46802 [1,0,0,1,0,0|1,0,1]=4 20 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 P45915 [1,0,0,1,0,0|1,0,0]=3 21 B10R1.13 CC(C)[C@H]1CC[C@H](N)CC1 P45914 [1,0,0,1,0,0|1,0,0]=3 22 B10R1.13 CC(N)C1CCN(C)CC1 P42677 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.13 CC1CCC(C(C)O)CC1 P45722 [1,0,0,1,0,0|1,0,0]=3 24 B10R1.13 CN(C)C1CCC(I)CC1 P44014 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.13 CN(C)C1CCC(N)CC1 P38130 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.13 CN(C)C1CCC(O)CC1 O33979 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 P49942 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 O32458 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 P43159 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 P49941 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.14 C[C@@H](CO)N1CC[C@@H](F)C1 Q61818 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.31 CC(C)N1CCC(CN)C1 P44900 [1,0,0,1,0,0|2,0,0]=4 33 B10R1.31 CNC1CCN(C(C)C)C1 Q59379 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.54 CC(C)NC1CCN(C)C1 Q59418 [1,0,0,1,0,0|2,0,0]=4 35 B10R1.127 CC(C)CCNC1CSC1 Q58966 [1,0,0,1,0,0|1,1,0]=4 36 B10R1.127 CC(O)CCNC1CCC1 P48740 [1,0,0,1,0,0|2,0,0]=4 37 B10R1.171 CC1(C)CC(CBr)CCO1 Q64215 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.171 CC1(C)CC(CN)CCO1 Q61508 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.171 CC1(C)CCCC(CN)C1 O29794 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.171 CC1(C)CCCC(CO)C1 Q59489 [1,0,0,1,0,0|0,0,0]=2 41 B10R1.171 CC1(C)CNCC(CO)O1 H-8788 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.171 CCN1CCNC(C)(C)C1 P51444 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.171 OCC1CCCC(F)(F)C1 P47865 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.171 OC[C@@H]1CCCC(F)(F)C1 P50391 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.171 OC[C@H]1CCCC(F)(F)C1 P50387 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.301 CC1(C)CNC[C@H](F)[C@@H]1O Q52087 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.301 CC1(C)CNC[C@H](F)[C@@H]1O Q52088 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.301 CC1(C)CNC[C@H](F)[C@H]1O Q52086 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.10 CC1CC(CCN)CCO1 Q57809 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.10 CN1CCCC(CCN)C1 I-9348 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.10 CN1CCCC(CCO)C1 L18437 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.10 CN1CCC[C@@H](CCN)C1 Q56616 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.10 CN1CCC[C@@H](CCO)C1 Q54915 [1,0,0,1,0,0|1,0,0]=3 54 B10R1.10 CN1CCC[C@H](CCN)C1 Q56617 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.10 CN1CCC[C@H](CCO)C1 Q54916 [1,0,0,1,0,0|1,0,0]=3 56 B10R1.10 NC1CCCN(CCO)C1 Q57576 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.10 OCCN1CCCC(O)C1 Q59880 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.18 CC(C)CC1CCCNC1 Q59857 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.18 CC(C)CC1CCNCC1 Q59854 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.18 CC(C)C[C@@H]1COCCN1 B-1251 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.18 CC(C)C[C@H]1COCCN1 B-1250 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.18 CN(C)CC1CCCCN1 O28384 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.18 CN(C)CC1CNCCO1 O28299 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.18 CN(C)C[C@@H]1CCCCN1 P42604 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.18 CN(C)C[C@@H]1CNCCO1 O28126 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.18 CN(C)C[C@H]1CCCCN1 P40318 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.18 CN(C)C[C@H]1CNCCO1 O28247 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.38 CC1(C)COCCC1CBr Q61471 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.38 CC1(C)COCCC1CN Q61470 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.38 CC1(C)COCCC1CO Q61469 [1,0,0,1,0,0|1,0,0]=3 71 B10R1.39 CC(C)N1CCCC1CO P38581 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.39 CC(C)N1CCC[C@@H]1CO P35170 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.39 CC(C)N1CCC[C@H]1CO P43109 [1,0,0,1,0,0|1,0,0]=3 74 B10R1.61 CC(C)C1CCCCC1N Q59494 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.64 CC(C)C[C@@H]1CNC[C@H]1O Q62156 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.66 CN(C)CCC1CCCN1 Q59412 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.11 CCCC(C)C1CCCN1 Q59215 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.21 CCCCCC1CCCN1 Q59373 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.21 CCCCCC1CCCN1 Q59374 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.21 CCCCOC1CCNC1 P34903 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.21 CNCCCC1CCCC1 P40842 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.21 CNCCCC1CCCC1 P42969 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.85 N#CCC1CCCCCC1 P37516 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.85 NCCC1CCCCCC1 P38052 [1,0,0,1,0,0|1,0,0]=3 85 B10R1.245 CC1CCCC(C)C1CN L19265 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.245 CC1CCCC(C)C1CO P45298 [1,0,0,1,0,0|0,0,0]=2 87 B10R1.377 NC1(CCO)CCCCC1 P39400 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.377 NC1(CCO)CCOCC1 Q57651 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.377 NCCC1(O)CCCCC1 P38314 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.377 OCCC1(O)CCOCC1 Q56850 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.1 CC1CCN(CCN)CC1 P41348 [0,0,0,1,1,0|2,0,0]=4 92 B10R1.1 CN1CCC(CCN)CC1 L14080 [0,0,0,1,1,0|2,0,0]=4 93 B10R1.1 CN1CCC(CCO)CC1 C-3302 [0,0,0,1,1,0|1,0,0]=3 94 B10R1.1 NC1CCN(CCO)CC1 P35298 [0,0,0,1,1,0|2,0,0]=4 95 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 L13849 [0,0,0,1,1,0|1,0,0]=3 96 B10R1.1 O=C1CCC(CCO)CC1 P44558 [0,0,0,1,1,0|1,0,1]=4 97 B10R1.30 CC1CCN(C)C(CN)C1 Q59869 [0,0,0,1,1,0|2,0,0]=4 98 B10R1.95 CC1(C)OC[C@H](CCO)O1 O33306 [0,0,0,1,1,0|2,0,0]=4 99 B10R1.95 OCCC1CCC(F)(F)C1 Q52102 [0,0,0,1,1,0|2,0,0]=4 100 B10R1.113 CC(C)C1CC(N)CCO1 Q57682 [0,0,0,1,1,0|1,0,0]=3 101 B10R1.113 CC(C)C1CC(O)CCO1 Q57711 [0,0,0,1,1,0|1,0,0]=3 102 B10R1.113 CC1CCCC(C(C)N)C1 Q59520 [0,0,0,1,1,0|2,0,0]=4 103 B12R1.31 CCCC(C)NC1CCN(C)C1 Q59423 [0,0,0,1,0,1|2,0,0]=4 104 B12R1.182 CNCC1CCN(CC(C)C)C1 P35397 [0,0,0,1,0,1|2,0,0]=4 105 B12R1.220 CC(C)OCCCN1CC(N)C1 P50529 [0,0,0,1,0,1|2,0,0]=4 106 B12R1.1571 CCCC(C)NC1CSC1(C)C Q58957 [0,0,0,1,0,1|2,0,0]=4 107 B12R1.1821 CC(C)CC1CC(C)(O)CCO1 Q52707 [0,1,0,1,0,0|0,0,0]=2 108 B12R1.1821 CC1(C)CC(CC(=O)O)CCO1 Q57800 [0,1,0,1,0,0|1,0,1]=4 109 B12R1.1821 CC1(C)CCCC(CC(=O)O)C1 Q59578 [0,1,0,1,0,0|0,0,1]=3 110 B12R1.1821 CC1(F)CCCC(CC(=O)O)C1 P47114 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.252 CC(C)CCCC1CCCCN1 L19983 [0,1,0,1,0,0|1,0,0]=3 112 B12R1.252 CC(C)CCNC1CCCSC1 Q57937 [0,1,0,1,0,0|1,1,0]=4 113 B12R1.252 CC(C)CCOC1CCNCC1 S72700 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.252 CC(C)COCC1CCNCC1 Q60044 [0,1,0,1,0,0|2,0,0]=4 115 B12R1.252 CC(C)OCCC1CCCCN1 Q57494 [0,1,0,1,0,0|2,0,0]=4 116 B12R1.252 CC(C)SCCC1CCCCN1 L19987 [0,1,0,1,0,0|2,0,0]=4 117 B12R1.252 CC(O)CNCC1CCOCC1 Q57751 [0,1,0,1,0,0|2,0,0]=4 118 B12R1.252 CN(C)CCCC1CCNCC1 Q59906 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.16 CC1CCC(N(C)CCN)CC1 Q59784 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.57 CC1CCC(C(C)C)C(CN)C1 Q59706 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.50 CC1CCCC(NC(C)CO)C1 Q59713 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.5121 CC1CCCC2(CCNC2)C1 Q65182 [0,0,0,2,0,0|1,0,0]=3 123 B12R2.5121 CN1CCCC2(CCNC2)C1 L21818 [0,0,0,2,0,0|2,0,0]=4 124 B12R2.5121 FC1CCCC2(CCNC2)C1 Q54392 [0,0,0,2,0,0|2,0,0]=4 125 B12R2.5121 NC1CCOC2(CCOC2)C1 Q59466 [0,0,0,2,0,0|2,0,0]=4 126 B12R2.5121 OC1CCOC2(CCOC2)C1 Q59470 [0,0,0,2,0,0|2,0,0]=4 127 B12R2.5952 CC12CCC(CNC1)C2(C)C P45181 [0,0,0,2,0,0|2,0,0]=4 128 B12R2.5952 CC12CCC(CNC1)C2(C)C P45959 [0,0,0,2,0,0|2,0,0]=4