0 B6R0.1 CCOC(=O)C#N SPC-g163 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,1,0,0,0,0|1,0,1]=3 3 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,0,0,1,0,0|2,0,0]=3 7 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,1,0,0|1,0,1]=3 19 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.5 CN1CCNCC1=O SPC-j564 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.5 CN1CCNCC1=O SPC-r023 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.52 C[C@]1(CN)CCCO1 SPC-s725 [0,0,0,1,0,0|2,0,1]=4 43 B5R0.1 CCC[C@H](C)N SPC-k309 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.5 CN(C)C(=O)CCN SPC-t561 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [1,1,0,0,0,0|0,0,1]=3 48 B7R1.1 BrCC1=CCCC1 SPC-n905 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 C=C1CCOCC1 SPC-m646 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 O=C1CCCNC1 SPC-q237 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.3 O=C1CCCOC1 SPC-g865 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.3 O=C1CCCSC1 SPC-k221 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.3 O=C1CCOCC1 SPC-g072 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.3 O=C1CCSCC1 SPC-g130 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.3 O=C1CNCCN1 SPC-g151 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 O=C1COCCN1 SPC-g147 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.22 NNC(=O)C1CC1 SPC-g371 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.15 CO[C@H]1COCCC1=O SPC-h609 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SPC-m818 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 CN1CC[C@H](N)CC1=O SPC-h540 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 SPC-t564 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.69 C[C@H]1CN(C)C(=O)CN1 SPC-u382 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 SPC-u935 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.73 CCOC(=O)C1CCC1 SPC-q614 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.73 CCOC(=O)C1CNC1 SPC-g636 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.75 CCOC(=O)CC1CC1 SPC-q002 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.3 CN1CCC[C@H](N)C1=O SPC-m069 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j204 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.11 COC(=O)[C@@H]1CCNC1 SPC-j205 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.11 COC(=O)[C@@H]1CCOC1 SPC-h930 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-g645 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j202 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.11 COC(=O)[C@H]1CCNC1 SPC-j203 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-j338 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.11 COC(=O)[C@H]1CCOC1 SPC-q074 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.82 COC(=O)C1CC(Br)C1 SPC-h673 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.82 COC(=O)C1CC(Cl)C1 SPC-h318 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.82 COC(=O)C1CC(N)C1 SPC-k185 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.82 COC(=O)C1CC(O)C1 SPC-h741 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.82 COC(=O)N1CC(O)C1 SPC-q678 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 SPC-h432 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 SPC-i358 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SPC-h525 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.82 O=C(CCl)N1CC(O)C1 SPC-u464 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.186 COC(=O)C1(N)CCC1 SPC-t828 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.1 O=C1CO[C@@H](CO)CN1 SPC-u038 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.1 O=C1CO[C@H](CO)CN1 SPC-v317 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.79 COC(=O)CC1CNC1 SPC-g986 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.79 COC(=O)CC1COC1 SPC-i599 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-q173 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-u663 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.40 CC1(C)CNCCC1=O SPC-m184 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.40 CC1(C)COCCC1=O SPC-p302 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.40 CC1(C)NCCNC1=O SPC-j925 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.106 CC1(C)C(=O)NC[C@@H]1N SPC-k551 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.106 CC1(C)C(=O)NC[C@@H]1N SPC-u282 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.106 CC1(C)C(=O)NC[C@H]1N SPC-n789 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.10 CC1(C)CCC(=O)CC1 SPC-r386 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.10 CC1(C)CNC(=O)CN1 SPC-p617 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.10 O=C1CCC(F)(F)CC1 SPC-g678 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.10 O=C1CCC(F)(F)CN1 SPC-m328 [0,1,0,1,0,0|2,0,0]=4 135 B9R2.139 O=C1CC2(CC2)CN1 SPC-b633 [0,0,0,2,0,0|2,0,0]=4 136 B9R2.139 O=C1CC2(CC2)CO1 SPC-t063 [0,0,0,2,0,0|2,0,0]=4 137 B9R2.53 O=C1C2CNCC1C2 SPC-i426 [0,0,0,2,0,0|2,0,0]=4 138 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,2,0,0|1,0,0]=3 139 B9R2.140 O=C1COC12CCC2 SPC-b272 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.140 O=C1NCC12CCC2 SPC-b647 [0,0,0,2,0,0|2,0,0]=4