0 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.50 CC1C(=O)CCC1=O M25293 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.50 CN1CCN(C)C1=N D41320 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.50 CN1CC[N+](C)=C1Cl C40369 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.50 O=C1CCC(=O)N1I I1787 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.50 O=C1CCC(=O)N1O H68064 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,0,0,0|0,0,1]=2 10 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,0,0,0|1,0,1]=3 11 B7R1.2 CC1=CC(=O)NN1 M12010 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 CC1=CC(=O)NO1 M68379 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,0,0,0|1,0,0]=2 18 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,0,0,0|1,0,2]=4 28 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.4 BrC1=C(Br)CCC1 D68539 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.4 CN1CCCC1=S M6872 [1,0,0,0,0,0|1,1,1]=4 36 B7R1.4 CN1CCN=C1N M40301 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 CN1CCNC1=O M40241 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,0,0,0|0,0,1]=2 41 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.4 NN1CCCC1=O A22230 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.4 O=C1CCC=C1Br B3409 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.4 O=C1CCC=C1O H41119 [1,0,0,0,0,0|0,0,2]=3 52 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,0,0,0|0,0,0]=1 57 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 C=CC(=O)NCCN A41315 [0,0,1,0,0,0|3,0,0]=4 61 B7R0.3 CCCCC(=O)NN P40425 [0,0,1,0,0,0|2,0,0]=3 62 B7R0.3 CCCOC(=O)OC M40388 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.3 CNCCC(=O)OC M40412 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.3 COC(=O)CCCBr M39189 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.3 COC(=O)CCCCl M60517 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.3 COC(=O)CCCN M32376 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.10 C=C(CO)C(=O)OC M7022 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.10 CCC(=O)C(=O)CC H41459 [0,0,1,0,0,0|0,0,0]=1 70 B7R0.10 CCC(=O)N(C)OC M40411 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,0,1,0,0,0|2,0,1]=4 73 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,0,1,0,0,0|2,0,1]=4 74 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,0,1,0,0,0|2,0,1]=4 76 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.10 COC(=O)C(=O)CBr M2726 [0,0,1,0,0,0|2,0,0]=3 78 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,0,1,0,0,0|1,0,0]=2 82 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,0,1,0,0,0|1,0,2]=4 84 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,0,1,0,0,0|1,0,2]=4 85 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,0,1,0,0,0|3,0,0]=4 87 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,0,0,0,0,1|2,0,1]=4 89 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,0,0,0,0,1|2,0,1]=4 90 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,0,0,0,0,1|2,0,1]=4 91 B9R1.69 CC1=CNC(=O)NC1=O M24763 [0,0,0,0,0,1|1,0,2]=4 92 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,0,0,0,0,1|2,0,1]=4 93 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,0,0,0,0,1|2,0,1]=4 94 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,0,0,0,1|0,0,0]=1 99 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,0,0,0,0,1|2,0,1]=4 102 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,0,0,0,0,1|1,0,0]=2 103 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,0,0,0,0,1|1,0,0]=2 104 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,0,0,0,0,1|1,0,0]=2 105 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|0,0,1]=3 106 B6R0.1 CCOC(=O)CN G69291 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.1 CCOC(=O)CO E37817 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.1 CCOC(=O)OC E40254 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.4 CC(=O)CCCCl C68599 [1,0,1,0,0,0|1,0,1]=4 110 B6R0.4 CCCCC(=N)N P41343 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,1,0,0,0|0,0,1]=3 112 B6R0.4 CCCOC(N)=O P40264 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.4 CNCCC(=O)O M40350 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.4 COCCC(=O)O M40255 [1,0,1,0,0,0|1,0,1]=4 115 B6R0.4 NCCCC(N)=O A40304 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.4 O=C(O)CCCBr B39154 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.4 O=C(O)CCCCl C40232 [1,0,1,0,0,0|1,0,1]=4 118 B6R0.6 CC=CCCCO H41548 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.6 O=CCCCCCl C41277 [1,0,1,0,0,0|1,0,1]=4 120 B6R0.6 O=CCCCCO H32202 [1,0,1,0,0,0|0,0,2]=4 121 B6R0.3 CC(C)C(=O)NN I0020 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,1,0,0,0|1,0,0]=3 123 B6R0.3 CCC(=O)N(C)C D67412 [1,0,1,0,0,0|1,0,1]=4 124 B6R0.3 CCN(C)C(=O)Cl E40250 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.3 CCN(C)C(C)=O E40404 [1,0,1,0,0,0|1,0,1]=4 126 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,0,1,0,0,0|0,0,1]=3 127 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,0,1,0,0,0|1,0,1]=4 129 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,0,1,0,0,0|1,0,1]=4 130 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,0,1,0,0,0|1,0,1]=4 132 B6R0.3 CNC(=O)[C@H](C)N A40308 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,0,1,0,0,0|1,0,1]=4 134 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.3 COC(=O)[C@@H](C)O M68913 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.3 COC(=O)[C@H](C)Cl M68359 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.3 COC(=O)[C@H](C)N A68085 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.3 COC(=O)[C@H](C)N M68343 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.3 COC(=O)[C@H](C)O M69777 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,0,1,0,0,0|1,0,1]=4 141 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,0,1,0,0,0|1,0,1]=4 142 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,0,1,0,0,0|1,0,1]=4 143 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.2 CC(=O)C=C(C)N A41256 [1,0,1,0,0,0|1,0,1]=4 145 B6R0.2 CC(=O)NC(C)C P40402 [1,0,1,0,0,0|1,0,0]=3 146 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,0,1,0,0,0|2,0,0]=4 147 B6R1.2 CC1=NCCC1 M41239 [2,0,0,0,0,0|2,0,0]=4 148 B6R1.2 C[C@@H]1CCCN1 M23610 [2,0,0,0,0,0|1,0,1]=4 149 B6R1.2 C[C@@H]1CCNC1 M22540 [2,0,0,0,0,0|1,0,1]=4 150 B6R1.2 C[C@H]1CCCN1 M21836 [2,0,0,0,0,0|1,0,1]=4 151 B6R1.2 C[C@H]1CCCN1 M24199 [2,0,0,0,0,0|1,0,1]=4 152 B6R1.2 C[C@H]1CCCN1 M24435 [2,0,0,0,0,0|1,0,1]=4 153 B6R1.2 C[C@H]1CCNC1 M22012 [2,0,0,0,0,0|1,0,1]=4 154 B6R1.2 C[C@H]1CCNC1 M69520 [2,0,0,0,0,0|1,0,1]=4 155 B6R1.2 NC1=NCCC1 D38561 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 O=C1C=CCC1 C26583 [2,0,0,0,0,0|0,0,1]=3 157 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|1,0,1]=4 158 B6R1.2 O=C1CCNC1 P0198 [2,0,0,0,0,0|1,0,1]=4 159 B6R1.2 O=C1CCNN1 P39917 [2,0,0,0,0,0|2,0,0]=4 160 B6R1.2 O=C1CCOC1 X0391 [2,0,0,0,0,0|1,0,1]=4 161 B6R1.2 O=C1CCSC1 D10906 [2,0,0,0,0,0|1,0,1]=4 162 B6R1.2 O=C1NCCN1 K62398 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 O=C1NCCS1 T39859 [2,0,0,0,0,0|2,0,0]=4 164 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,1,1,0,0,0|2,0,0]=4 165 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,1,0,0,0|1,0,1]=4 167 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.6 CNCCCC(=O)OC M43486 [0,1,1,0,0,0|2,0,0]=4 169 B8R0.6 COC(=O)CCCCBr M41523 [0,1,1,0,0,0|2,0,0]=4 170 B8R0.6 COC(=O)CCCCCl M63406 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.6 COC(=O)CCCCN M43490 [0,1,1,0,0,0|2,0,0]=4 172 B8R0.6 COCCCC(=O)OC M68350 [0,1,1,0,0,0|2,0,0]=4 173 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,1,1,0,0,0|2,0,0]=4 174 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,1,0,0,0|1,0,1]=4 175 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,1,1,0,0,0|1,0,1]=4 176 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,1,0,0,0|1,0,0]=3 178 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,1,0,0,0|1,0,0]=3 179 B8R1.1 COC1=CC(=O)CC1 M61379 [1,1,0,0,0,0|0,0,1]=3 180 B8R1.1 COC1=CC(=O)NC1 M41169 [1,1,0,0,0,0|1,0,1]=4 181 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,1,0,0,0,0|1,0,1]=4 184 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,1,0,0,0,0|1,0,1]=4 185 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,1,0,0,0,0|1,0,1]=4 188 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,1,0,0,0,0|1,0,1]=4 189 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.1 O=C1C=C(CBr)CO1 B31582 [1,1,0,0,0,0|1,0,1]=4 193 B8R1.1 O=C1C=C(CI)CO1 I6261 [1,1,0,0,0,0|1,0,1]=4 194 B8R1.1 O=C1C=C(CO)CO1 H1535 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [1,1,0,0,0,0|0,0,1]=3 212 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.51 CC1(C)CCC(=O)N1 D38848 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.51 CC1(C)CCC(=O)O1 D41465 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.51 CC1(C)CNC(=O)C1 D6966 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.51 CC1(C)COC(=O)N1 D0615 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,1,0,0,0,0|0,0,1]=3 219 B8R1.11 N#CC1=C(N)CCC1 A43185 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,1,0,0,0,0|0,0,1]=3 221 B8R1.11 O=C1NCC[C@@H]1CO H13645 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.19 CC1(C)CCNC1=O D13691 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.19 O=C1NCCC1(F)F D29703 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,1,0,0,0,1|2,0,0]=4 225 B10R1.25 CC[C@H]1CNC(=O)CC1=O E14290 [0,1,0,0,0,1|1,0,0]=3 226 B10R1.63 CC1(C)CCC(=O)CC1=O D47019 [0,1,0,0,0,1|0,0,0]=2 227 B10R1.176 CN1CC[C@H](CN)CC1=O A0719 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.176 CN1CC[C@H](CN)CC1=O A20770 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.176 CN1CC[C@H](CO)CC1=O H0356 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.191 CC1=C(C)C(C)C(C)C1=O T50434 [0,2,0,0,0,0|1,0,1]=4 231 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O M22957 [0,2,0,0,0,0|1,0,1]=4 232 B8R1.2 O=CC1=CCCOC1 D43308 [0,0,1,1,0,0|2,0,0]=4 233 B8R1.2 O=CC1=COCCC1 D43307 [0,0,1,1,0,0|2,0,0]=4 234 B8R1.2 O=CC1CCOCC1 T0115 [0,0,1,1,0,0|2,0,0]=4 235 B8R1.2 O=CC1CCSCC1 T31827 [0,0,1,1,0,0|2,0,0]=4 236 B8R1.2 O=CN1CCCCC1 P68910 [0,0,1,1,0,0|2,0,0]=4 237 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,1,1,0,0|2,0,0]=4 238 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,1,1,0,0|1,0,1]=4 239 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,1,1,0,0|1,0,1]=4 240 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,1,1,0,0|1,0,1]=4 241 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,1,1,0,0|1,0,1]=4 242 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,1,1,0,0|2,0,0]=4 243 B8R1.5 NN1CCCCC1=O A41312 [0,0,1,1,0,0|2,0,0]=4 244 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,1,1,0,0|1,0,1]=4 245 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,1,1,0,0|1,0,1]=4 246 B8R1.5 O=C1CCCCC1=O C67839 [0,0,1,1,0,0|0,0,0]=2 247 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,1,1,0,0|1,0,0]=3 248 B8R1.38 NNC(=O)C1CCC1 C12362 [0,0,1,1,0,0|2,0,0]=4 249 B8R1.40 COC(=O)CC1CC1 M11217 [0,0,1,1,0,0|2,0,0]=4 250 B8R1.39 CC1(C(=O)NN)CC1 M40371 [0,0,1,1,0,0|2,0,0]=4 251 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,0,1,1,0,0|1,0,0]=3 252 B8R2.18 O=C1CC2CC2C1 B43299 [1,0,0,1,0,0|0,0,1]=3 253 B10R2.41 O=C1C2CCC1CNC2 O8022 [0,0,0,1,0,1|1,0,1]=4 254 B10R2.41 O=C1C2CNCC1OC2 X14894 [0,0,0,1,0,1|0,0,2]=4 255 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,0,0,1,0,1|2,0,0]=4 256 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,0,0,1,0,1|1,0,1]=4 257 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,1,0,1|1,0,1]=4 258 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,1,0,1|1,0,1]=4 259 B10R2.32 O=C1CCC2CNCC12 H15275 [0,1,0,1,0,0|1,0,1]=4 260 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,0,1,0|1,0,0]=3 261 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,0,1,0|1,0,0]=3 262 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,0,1,0|2,0,0]=4 263 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,0,1,0|2,0,0]=4 264 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,0,1,0|0,0,1]=3 265 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,0,1,0|1,0,1]=4 266 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,0,1,0|1,0,1]=4 267 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,0,1,0|1,0,1]=4 268 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,0,1,0|1,0,1]=4 269 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,0,1,0,0,1|1,0,0]=3 270 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,0,1,0,0,1|0,0,0]=2 271 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,0,1,0,0,1|1,0,1]=4 272 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,0,1,0,0,1|1,0,1]=4 273 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,0,0,1|1,0,1]=4 274 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,0,0,1|1,0,1]=4 275 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,0,0,1|1,0,1]=4 276 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,0,0,1|0,0,1]=3 277 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,0,0,1|0,0,1]=3 278 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,0,0,1|1,0,0]=3 279 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,0,0,1|1,0,0]=3 280 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,0,0,1|0,0,1]=3 281 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,0,0,1|0,0,1]=3 282 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,0,0,1|0,0,1]=3 283 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,0,0,1|0,0,1]=3 284 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,0,0,1|0,0,1]=3 285 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,0,0,1|1,0,0]=3 286 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,0,0,1|0,0,1]=3 287 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,0,0,1|1,0,0]=3 288 B8R1.4 NC1=CC(=O)CCC1 A9456 [1,0,0,0,0,1|1,0,1]=4 289 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,0,0,1|1,0,1]=4 290 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,0,0,1|1,0,1]=4 291 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,0,0,1|1,0,1]=4 292 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,0,0,1|1,0,1]=4