0 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.8 COCCS(=O)(=O)Cl SPC-u178 [0,1,0,0,0,0|2,0,1]=4 3 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,0,0,1,0,0|2,0,1]=4 4 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,0,0,1,0,0|2,0,1]=4 5 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|2,0,0]=3 7 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,0,0,1,0,0|3,0,0]=4 16 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 C=C1CCOCC1 SPC-m646 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.3 OC1CCOCC1 SPC-g695 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.10 CCN1CC(O)C1 SPC-i868 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|0,0,0]=1 62 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|0,0,0]=1 63 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|0,0,0]=1 64 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|0,0,0]=1 65 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|1,0,0]=2 70 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,0,0,1,0,0|1,0,1]=3 82 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,0,0,1,0,0|0,0,0]=1 87 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,0,0,1,0,0|1,0,0]=2 88 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.18 O=[N+]([O-])C1COC1 SPC-p415 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,0,0,1,0,0|0,0,0]=1 98 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,0,0,1,0,0|1,0,0]=2 99 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.1 CCOC(=O)C#N SPC-g163 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|0,0,0]=2 105 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|0,0,0]=2 106 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.6 ICCCCCI SPC-m904 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,2,0,0,0,0|0,0,2]=4 111 B8R0.21 CCCCCS(N)(=O)=O SPC-u444 [0,2,0,0,0,0|1,0,1]=4 112 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,2,0,0,0,0|0,0,2]=4 113 B8R0.29 O=C(O)CCC(F)(F)F SPC-v732 [0,2,0,0,0,0|1,0,0]=3 114 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,2]=4 116 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.10 N=S1(=O)CCC1 SPC-w058 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.11 OB(O)C1CC1 SPC-g438 [1,0,0,1,0,0|1,0,1]=4 126 B6R1.1 C1=CCNCC1 SPC-g659 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.1 C1=CCOCC1 SPC-h047 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.4 CC1OCC1O SPC-r006 [1,0,0,1,0,0|1,0,1]=4 129 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [1,0,0,1,0,0|1,0,1]=4 130 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [1,0,0,1,0,0|1,0,0]=3 133 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.4 NC1CCC1O SPC-u019 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.4 N[C@H]1CNC1=O SPC-s686 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [1,0,0,1,0,0|1,0,0]=3 139 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.6 ICC1CCC1 SPC-m826 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.6 IC[C@H]1CCO1 SPC-i189 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.6 NCC1CCC1 SPC-a097 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.6 NCC1CCC1 SPC-g882 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.6 NC[C@H]1CCO1 SPC-a305 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.6 O=CC1COC1 SPC-r007 [1,0,0,1,0,0|1,0,0]=3 146 B6R1.6 OCC1CNC1 SPC-a250 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.6 OCC1CNC1 SPC-j113 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.6 OCC1COC1 SPC-a076 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.6 OCC1CSC1 SPC-i307 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [1,0,0,1,0,0|1,0,1]=4 151 B6R1.6 OC[C@H]1CCN1 SPC-i191 [1,0,0,1,0,0|1,0,1]=4 152 B6R1.6 OC[C@H]1CCN1 SPC-k756 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.6 OC[C@H]1CCO1 SPC-a306 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,1,0,1,0,0|1,0,1]=4 169 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,1,0,0|1,0,0]=3 180 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|0,0,0]=2 188 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|0,0,0]=2 189 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,1,0,1,0,0|0,0,0]=2 190 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,1,0,1,0,0|0,0,0]=2 191 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,1,0,1,0,0|0,0,0]=2 192 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,1,0,1,0,0|0,0,0]=2 193 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,1,0,1,0,0|0,0,0]=2 194 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,1,0,1,0,0|0,0,0]=2 195 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [0,1,0,1,0,0|0,0,1]=3 197 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,1,0,1,0,0|0,0,0]=2 199 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,1,0,1,0,0|0,0,0]=2 200 B8R1.34 O=[N+]([O-])CC1COC1 SPC-a006 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,1,0,1,0,0|0,0,0]=2 202 B8R1.43 N#CC1CC1C(=O)O SPC-t815 [0,1,0,1,0,0|0,0,1]=3 203 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O SPC-q468 [0,1,0,1,0,0|0,0,1]=3 204 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O SPC-k256 [0,1,0,1,0,0|0,0,1]=3 205 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,1,0,1,0,0|0,0,2]=4 210 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,1,0,1,0,0|0,0,2]=4 211 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,1,0,1,0,0|0,0,2]=4 212 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SPC-n343 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.3 O[C@H]1CC[C@H](O)CC1 SPC-n631 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|1,0,0]=3 240 B8R1.52 NCC1(O)CCCC1 SPC-n897 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.52 NCC1(O)CCCC1 SPC-s734 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.6 N#CCC1CC(=O)C1 SPC-p082 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [0,1,0,1,0,0|0,0,2]=4 249 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [0,1,0,1,0,0|0,0,1]=3 250 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,1,0,1,0,0|0,0,0]=2 251 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,1,0,1,0,0|0,0,0]=2 252 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,1,0,1,0,0|0,0,0]=2 253 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,1,0,1,0,0|0,0,0]=2 254 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,1,0,1,0,0|0,0,0]=2 255 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,1,0,1,0,0|0,0,0]=2 256 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,1,0,1,0,0|0,0,0]=2 257 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,1,0,1,0,0|0,0,0]=2 258 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,1,0,1,0,0|0,0,0]=2 259 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [0,1,0,1,0,0|0,0,1]=3 260 B8R1.72 CC1(O)CCNCC1 SPC-j073 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.72 CC1(O)CCNCC1 SPC-n154 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.72 C[C@]1(O)CCCNC1 SPC-h456 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.72 C[C@]1(O)CCCNC1 SPC-u662 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.72 N=S1(=O)CCCCC1 SPC-w060 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.72 O=S1(=O)CCNCC1 SPC-g281 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,1,0,1,0,0|0,0,1]=3 267 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.23 CC(=O)N1CC(N)C1 SPC-h425 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.23 CC(=O)N1CC(O)C1 SPC-h857 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.23 CC(C)[C@@H]1CC(=O)N1 SPC-v044 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,1,0,1,0,0|0,0,0]=2 272 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,1,0,1,0,0|0,0,0]=2 274 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,1,0,1,0,0|0,0,0]=2 275 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,1,0,1,0,0|0,0,0]=2 276 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,1,0,1,0,0|0,0,0]=2 277 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,1,0,1,0,0|0,0,0]=2 278 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,1,0,1,0,0|0,0,0]=2 279 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,1,0,1,0,0|0,0,0]=2 280 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,1,0,1,0,0|0,0,0]=2 284 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,1,0,1,0,0|0,0,0]=2 285 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,1,0,1,0,0|0,0,0]=2 286 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,1,0,1,0,0|0,0,1]=3 287 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.78 CC(=O)C1(C)COC1 SPC-h427 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [0,1,0,1,0,0|0,0,0]=2 292 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [0,1,0,1,0,0|0,0,0]=2 297 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [0,1,0,1,0,0|0,0,0]=2 298 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [0,1,0,1,0,0|0,0,0]=2 301 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [0,1,0,1,0,0|0,0,0]=2 303 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [0,1,0,1,0,0|1,0,0]=3 308 B8R2.18 OC1CC2CC2C1 SPC-u478 [0,0,0,2,0,0|1,0,1]=4 309 B8R2.53 O=C1CC2(CC2)C1 SPC-u048 [0,0,0,2,0,0|1,0,0]=3