0 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.3 CON(C)C(C)=O SPC-t100 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 NC[C@H](F)CO SPC-s667 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.13 CC(C)(CN)C(N)=O SPC-m731 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|0,0,0]=1 21 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|0,0,0]=1 22 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|0,0,0]=1 23 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|0,0,0]=1 24 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|1,0,0]=2 25 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,0,0,1,0,0|1,0,1]=3 35 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,0,0,1,0,0|0,0,0]=1 40 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,0,0,1,0,0|1,0,0]=2 46 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,0,0,1,0,0|1,0,0]=2 47 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.18 O=[N+]([O-])C1COC1 SPC-p415 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.19 CC1(C(=O)Cl)CC1 SPC-k249 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [0,0,0,1,0,0|0,0,0]=1 52 B7R1.19 NC(=O)C1(N)CC1 SPC-v236 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [0,0,0,1,0,0|1,0,0]=2 56 B4R0.1 C#C[C@H](C)O SPC-s670 [2,0,0,0,0,0|0,0,2]=4 57 B4R0.1 C#C[C@H](C)O SPC-t138 [2,0,0,0,0,0|0,0,2]=4 58 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 CCOC(=O)C#N SPC-g163 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|0,0,1]=3 64 B6R0.7 CC(C)(C)[S@@](N)=O SPC-g440 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.7 CC(C)(C)[S@@](N)=O SPC-s712 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.7 CC(C)(C)[S@](N)=O SPC-g211 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.7 CC(F)(F)C(=O)O SPC-u702 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.7 O=C(O)C(F)(F)F SPC-i053 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.7 O=C(O)C(F)(F)F SPC-i652 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.7 O=C(O)C(F)(F)F SPC-s652 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.7 O=C(O)C(F)(F)F SPC-s662 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.7 O=C(O)C(F)(F)F SPC-v387 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.24 CC[C@H](C)OS(C)(=O)=O SPC-h833 [0,1,0,0,0,1|1,0,1]=4 74 B8R0.27 N[C@H](C(=O)O)C(F)(F)F SPC-u497 [0,2,0,0,0,0|2,0,0]=4 75 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,2]=4 77 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|1,0,0]=3 80 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|2,0,0]=4 81 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|2,0,0]=4 82 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|2,0,0]=4 84 B6R1.10 N=S1(=O)CCC1 SPC-w058 [1,0,0,1,0,0|2,0,0]=4 85 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,0]=3 86 B6R1.11 OB(O)C1CC1 SPC-g438 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.4 CC1OCC1O SPC-r006 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [1,0,0,1,0,0|1,0,1]=4 89 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [1,0,0,1,0,0|1,0,0]=3 92 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.4 NC1CCC1O SPC-u019 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [1,0,0,1,0,0|1,0,1]=4 95 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.4 N[C@H]1CNC1=O SPC-s686 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.6 BrCC1COC1 SPC-i089 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.6 CNC1COC1 SPC-a021 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.6 ClCC1COC1 SPC-t682 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.6 ICC1CCC1 SPC-m826 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.6 ICC1COC1 SPC-i045 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.6 NCC1CCC1 SPC-a097 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.6 NCC1CCC1 SPC-g882 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.6 NCC1COC1 SPC-a020 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.6 NCC1COC1 SPC-n824 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.6 O=CC1COC1 SPC-r007 [1,0,0,1,0,0|1,0,0]=3 108 B6R1.6 OCC1CNC1 SPC-a250 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.6 OCC1CNC1 SPC-j113 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.6 OCC1COC1 SPC-a076 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.6 OCC1CSC1 SPC-i307 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.6 OC[C@H]1CCN1 SPC-i191 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.6 OC[C@H]1CCN1 SPC-k756 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.6 OC[C@H]1CCO1 SPC-a306 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.7 CC1(CO)CC1 SPC-s643 [1,0,0,1,0,0|0,0,1]=3 117 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.7 NC1(CO)CC1 SPC-m032 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.7 NC1(CO)CC1 SPC-n639 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,0,0,1,0,1|2,0,0]=4 121 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,0,0,1,0,1|2,0,0]=4 122 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,0,0,1,0,1|2,0,0]=4 123 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,0,0,1,0,1|2,0,0]=4 124 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,0,0,1,0,1|2,0,0]=4 125 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,0,0,1,0,1|2,0,0]=4 126 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,0,0,1,0,1|2,0,0]=4 127 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,0,0,1,0,1|2,0,0]=4 128 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,0,1,0,1|1,0,0]=3 129 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,0,0,1,0,1|2,0,0]=4 130 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,0,0,1,0,1|2,0,0]=4 131 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,0,0,1,0,1|2,0,0]=4 132 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,0,0,1,0,1|2,0,0]=4 134 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,0,0,1,0,1|2,0,0]=4 135 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,0,0,1,0,1|2,0,0]=4 136 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,1,0,1|2,0,0]=4 137 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,1,0,1|1,0,0]=3 138 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,1,0,1|2,0,0]=4 139 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,1,0,1|2,0,0]=4 140 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,0,0,1,0,1|2,0,0]=4 141 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,0,0,1,0,1|1,0,1]=4 142 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,1|1,0,0]=3 143 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,1|1,0,0]=3 144 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,0,1,0,1|1,0,0]=3 145 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,0,1,0,1|1,0,0]=3 146 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,1,0,1|1,0,0]=3 147 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,0,1,0,1|1,0,0]=3 148 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,1,0,1|1,0,0]=3 149 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,1,0,1|1,0,0]=3 150 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,0,0,1,0,1|2,0,0]=4 151 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [0,0,0,1,0,1|0,0,1]=3 152 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,0,0,1,0,1|0,0,0]=2 153 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,0,0,1,0,1|1,0,0]=3 154 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,0,0,1,0,1|1,0,0]=3 155 B8R1.43 N#CC1CC1C(=O)O SPC-t815 [0,0,0,1,0,1|1,0,1]=4 156 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O SPC-q468 [0,0,0,1,0,1|1,0,1]=4 157 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O SPC-k256 [0,0,0,1,0,1|1,0,1]=4 158 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,0,0,1,0,1|1,0,0]=3 159 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [0,0,0,1,0,1|2,0,0]=4 160 B8R1.5 CC1CCNCC1O SPC-p589 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.5 CC1CNCCC1O SPC-m644 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [0,1,0,1,0,0|0,0,2]=4 177 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [0,1,0,1,0,0|0,0,1]=3 178 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,1,0,1,0,0|0,0,0]=2 179 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,1,0,1,0,0|0,0,0]=2 180 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,1,0,1,0,0|0,0,0]=2 181 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,1,0,1,0,0|0,0,0]=2 182 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,1,0,1,0,0|0,0,0]=2 183 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,1,0,1,0,0|0,0,0]=2 184 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,1,0,1,0,0|0,0,0]=2 185 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,1,0,1,0,0|0,0,0]=2 186 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.19 CC1(C)CCCC1=O SPC-q787 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.19 O=C1NCCC1(F)F SPC-p295 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,1,0,1,0,0|0,0,1]=3 191 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.23 CC(=O)N1CC(N)C1 SPC-h425 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.23 CC(=O)N1CC(O)C1 SPC-h857 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,1,0,1,0,0|0,0,0]=2 195 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,1,0,1,0,0|0,0,0]=2 196 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,1,0,1,0,0|0,0,0]=2 197 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,1,0,1,0,0|0,0,0]=2 199 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,1,0,1,0,0|0,0,0]=2 200 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,1,0,1,0,0|0,0,0]=2 201 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,1,0,1,0,0|0,0,0]=2 202 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,1,0,1,0,0|0,0,0]=2 203 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,1,0,1,0,0|0,0,0]=2 204 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,1,0,1,0,0|0,0,0]=2 205 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,1,0,1,0,0|0,0,0]=2 207 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,1,0,1,0,0|0,0,0]=2 208 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,1,0,1,0,0|0,0,0]=2 209 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,1,0,1,0,0|0,0,1]=3 210 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.78 CC(=O)C1(C)COC1 SPC-h427 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [0,1,0,1,0,0|0,0,0]=2 215 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [0,1,0,1,0,0|0,0,0]=2 217 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|0,0,0]=2 218 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|0,0,0]=2 219 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [0,1,0,1,0,0|0,0,0]=2 220 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [0,1,0,1,0,0|0,0,0]=2 226 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.11 N#C[C@H]1COCC1=O SPC-p597 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.39 COC(=O)C1(Br)CC1 SPC-t196 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.39 COC(=O)C1(N)CC1 SPC-n419 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.39 COC(=O)C1(O)CC1 SPC-g901 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.63 CCC1(C(=O)O)CC1 SPC-k413 [0,1,0,1,0,0|0,0,0]=2 241 B8R1.63 O=C(O)C1(CO)CC1 SPC-s736 [0,1,0,1,0,0|0,0,0]=2 242 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [0,1,0,1,0,0|1,0,0]=3 245 B8R2.19 O=C1CCC12CC2 SPC-t255 [0,0,0,2,0,0|1,0,0]=3