0 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 NCCC(F)F SPC-w135 [1,0,0,0,0,0|2,0,1]=4 3 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,0,0,1,0,0|3,0,0]=4 4 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,0,0,1,0,0|3,0,0]=4 5 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,0,0,1,0,0|3,0,0]=4 6 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|3,0,0]=4 7 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|3,0,0]=4 8 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,0,0,1,0,0|1,0,1]=3 9 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,0,0,1,0,0|1,0,1]=3 10 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,0,0,1,0,0|1,0,1]=3 11 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,0,0,1,0,0|1,0,1]=3 17 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,0,0,1,0,0|1,0,1]=3 18 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,0,0,1,0,0|1,0,1]=3 40 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,0,0,1,0,0|1,1,1]=4 45 B7R1.10 CN1CC(CN)C1 SPC-a123 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.10 NCC1CC(F)C1 SPC-h035 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,0,0,1,0,0|1,0,1]=3 50 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.14 CC1(C)CCCN1 SPC-p107 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,0,0,1,0,0|0,0,0]=1 80 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,0,0,1,0,0|0,0,0]=1 81 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,0,0,1,0,0|0,0,0]=1 84 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,0,0,1,0,0|1,0,0]=2 86 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,0,0,1,0,0|1,0,0]=2 87 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.1 CCOC(=O)C#N SPC-g163 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|0,0,0]=2 93 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|0,0,0]=2 94 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,2,0,0,0,0|0,0,2]=4 98 B8R0.29 O=C(O)CCC(F)(F)F SPC-v732 [0,2,0,0,0,0|1,0,0]=3 99 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,2]=4 101 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|1,0,0]=3 102 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.2 O[C@H]1CCNC1 SPC-g033 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.2 O[C@H]1CCNC1 SPC-g282 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.2 O[C@H]1CCNC1 SPC-g363 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|1,0,0]=3 108 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.5 NC1CC(O)C1 SPC-h237 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.5 NC1CC(O)C1 SPC-h906 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.10 N=S1(=O)CCC1 SPC-w058 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.11 OB(O)C1CC1 SPC-g438 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.1 C1=CCNCC1 SPC-g659 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.4 NC1CCC1O SPC-u019 [1,0,0,1,0,0|0,0,1]=3 123 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [1,0,0,1,0,0|0,0,1]=3 124 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.4 N[C@H]1CNC1=O SPC-s686 [1,0,0,1,0,0|1,0,0]=3 128 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.6 IC[C@H]1CCO1 SPC-i189 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.6 N#C[C@@H]1CCN1 SPC-p919 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.6 N#C[C@H]1CCN1 SPC-u912 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.6 NCC1CCC1 SPC-a097 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.6 NCC1CCC1 SPC-g882 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.6 NCC1COC1 SPC-a020 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.6 NCC1COC1 SPC-n824 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.6 NCC1CSC1 SPC-a104 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.6 NCC1CSC1 SPC-i360 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.6 NC[C@H]1CCN1 SPC-i204 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.6 NC[C@H]1CCO1 SPC-a305 [1,0,0,1,0,0|0,0,1]=3 141 B6R1.6 O=CC1COC1 SPC-r007 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [1,0,0,1,0,0|0,0,1]=3 143 B6R1.6 OC[C@H]1CCN1 SPC-i191 [1,0,0,1,0,0|0,0,1]=3 144 B6R1.6 OC[C@H]1CCN1 SPC-k756 [1,0,0,1,0,0|0,0,1]=3 145 B6R1.6 OC[C@H]1CCO1 SPC-a306 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,1,0,1,0,0|0,0,0]=2 150 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,1,0,1,0,0|0,0,0]=2 153 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,1,0,1,0,0|0,0,0]=2 154 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.4 NC1=CC(=O)COC1 SPC-t582 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 NC1COCC(O)C1 SPC-t029 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,1,0,1,0,0|0,0,0]=2 177 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,1,0,1,0,0|0,0,0]=2 178 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,1,0,1,0,0|0,0,0]=2 179 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,1,0,1,0,0|0,0,0]=2 181 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,1,0,1,0,0|0,0,0]=2 182 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,1,0,1,0,0|0,0,0]=2 186 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.43 N#CC1CC1C(=O)O SPC-t815 [0,1,0,1,0,0|0,0,1]=3 189 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O SPC-q468 [0,1,0,1,0,0|0,0,1]=3 190 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O SPC-k256 [0,1,0,1,0,0|0,0,1]=3 191 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,1,0,1,0,0|0,0,0]=2 192 B8R1.53 CC1(C)C[C@H](CN)O1 SPC-i497 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.53 CC1(O)CC(CN)C1 SPC-u218 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 SPC-w124 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.53 C[C@]1(O)C[C@H](CN)C1 SPC-w123 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.53 NCC1CS(=O)(=O)C1 SPC-a455 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.2 OC[C@@H]1CCCNC1 SPC-v455 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.5 CC1CCNCC1O SPC-p589 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.22 OC1CNCCNC1 SPC-v334 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|0,0,0]=2 227 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|0,0,0]=2 228 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|0,0,0]=2 229 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.47 CO[C@H]1C[C@@H](CN)C1 SPC-q755 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.52 C[C@@]1(CO)CCCN1 SPC-m261 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.52 C[C@]1(CO)CCCN1 SPC-m267 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.6 N#CCC1CC(=O)C1 SPC-p082 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,1,0,1,0,0|0,0,0]=2 244 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,1,0,1,0,0|0,0,0]=2 245 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,1,0,1,0,0|0,0,0]=2 247 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,1,0,1,0,0|0,0,0]=2 248 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,1,0,1,0,0|0,0,0]=2 249 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.72 C[C@]1(O)CCCNC1 SPC-h456 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.72 C[C@]1(O)CCCNC1 SPC-u662 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.23 CC(=O)N1CC(N)C1 SPC-h425 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.23 CC(C)[C@@H]1CC(=O)N1 SPC-v044 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,1,0,1,0,0|0,0,0]=2 264 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,1,0,1,0,0|0,0,0]=2 265 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,1,0,1,0,0|0,0,1]=3 275 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,1,0,1,0,0|0,0,1]=3 277 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.55 CC(C)(O)[C@@H]1CCN1 SPC-u874 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.55 CC(C)(O)[C@@H]1CCN1 SPC-v335 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.55 CC(C)(O)[C@H]1CCN1 SPC-u599 [0,1,0,1,0,0|1,0,1]=4 297 B8R2.53 O=C1CC2(CC2)C1 SPC-u048 [0,0,0,2,0,0|2,0,0]=4