0 B6R0.2 CC(C)CB(O)O SPC-r379 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.27 N[C@H](C(=O)O)C(F)(F)F SPC-u497 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,1,0,0|1,0,0]=2 12 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [0,0,0,1,0,0|3,0,0]=4 18 B5R0.1 C[C@@H](N)CCO SPC-g658 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.1 C[C@H](N)CCO SPC-n760 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.9 O=C(O)CC(F)(F)F SPC-s255 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,1,0,0,0,1|1,0,0]=3 23 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|2,0,0]=4 24 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|2,0,0]=4 25 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [1,0,0,1,0,0|2,0,0]=4 26 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [1,0,0,1,0,0|2,0,0]=4 27 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [1,0,0,1,0,0|2,0,0]=4 28 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|1,0,0]=3 30 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [1,0,0,1,0,0|1,0,0]=3 31 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [1,0,0,1,0,0|1,1,0]=4 32 B7R1.2 OC1CCC(O)C1 SPC-n357 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [1,0,0,1,0,0|1,0,1]=4 35 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|1,0,0]=3 36 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.12 O=C(O)C1CC1F SPC-s871 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [1,0,0,1,0,0|0,0,0]=2 50 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [1,0,0,1,0,0|0,0,1]=3 58 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [1,0,0,1,0,0|0,0,0]=2 62 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [1,0,0,1,0,0|0,0,1]=3 63 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [1,0,0,1,0,0|0,0,1]=3 64 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [1,0,0,1,0,0|0,0,1]=3 65 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.17 CC1(C)OC[C@@H]1N SPC-v294 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.18 O=C(O)C1CNC1 SPC-g671 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.18 O=C(O)C1COC1 SPC-a017 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.18 O=C(O)C1CSC1 SPC-a106 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,1,0,0|0,0,0]=2 76 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,1,0,0|0,0,0]=2 77 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,1,0,0|0,0,0]=2 80 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.19 CC1(C(=O)Cl)CC1 SPC-k249 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.19 NC(=O)C1(N)CC1 SPC-v236 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [1,0,0,1,0,0|0,0,0]=2 85 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,0,0,1,0,1|2,0,0]=4 89 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,1,0,1|2,0,0]=4 90 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,1,0,1|2,0,0]=4 91 B9R1.35 NC1CCC(C(=O)O)C1 SPC-h180 [0,0,0,1,0,1|2,0,0]=4 92 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SPC-q476 [0,0,0,1,0,1|2,0,0]=4 93 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SPC-t661 [0,0,0,1,0,1|2,0,0]=4 94 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j914 [0,0,0,1,0,1|1,0,0]=3 95 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j915 [0,0,0,1,0,1|1,0,0]=3 96 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 SPC-s047 [0,0,0,1,0,1|0,1,0]=3 97 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SPC-k019 [0,0,0,1,0,1|1,0,0]=3 98 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 SPC-s048 [0,0,0,1,0,1|0,1,0]=3 99 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 SPC-n707 [0,0,0,1,0,1|1,0,0]=3 100 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SPC-g127 [0,0,0,1,0,1|0,0,0]=2 101 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 SPC-k011 [0,0,0,1,0,1|1,0,0]=3 102 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-m778 [0,0,0,1,0,1|0,0,0]=2 103 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-t597 [0,0,0,1,0,1|0,0,0]=2 104 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,1,0,1|0,0,2]=4 105 B9R1.112 NC(=O)[C@@H](N)CC1CC1 SPC-v428 [0,0,0,1,0,1|2,0,0]=4 106 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,0,0,1,0,1|1,0,0]=3 107 B9R1.152 NC1(C(=O)O)CC(F)C1 SPC-q732 [0,0,0,1,0,1|1,0,0]=3 108 B9R1.152 NC1(C(=O)O)CC(O)C1 SPC-s756 [0,0,0,1,0,1|0,0,0]=2 109 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,0,0,1,0,1|2,0,0]=4 110 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,0,0,1,0,1|1,0,0]=3 111 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-h688 [0,1,0,1,0,0|0,0,0]=2 112 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-j849 [0,1,0,1,0,0|0,0,0]=2 113 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-k415 [0,1,0,1,0,0|0,0,0]=2 114 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-u455 [0,1,0,1,0,0|0,0,0]=2 115 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O SPC-k017 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O SPC-k959 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-q173 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-u663 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.96 N#CC1CCC1C(=O)O SPC-p215 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.110 N[C@@H](C(=O)O)C1CCC1 SPC-j771 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.110 N[C@@H](C(=O)O)C1COC1 SPC-i747 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h873 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h964 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i177 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i947 [0,1,0,1,0,0|0,0,0]=2 129 B9R1.111 CC1([C@H](N)C(=O)O)CC1 SPC-p158 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,1,0,1,0,0|1,0,0]=3 131 B9R2.143 O=C(O)[C@H]1CC12CC2 SPC-i461 [0,0,0,2,0,0|2,0,0]=4