0 B7R0.7 CCCC(=O)OCC 023317S [0,0,0,0,0,0|2,1,1]=4 1 B7R0.7 CCOC(=O)CCN 04-130 [0,0,0,0,0,0|2,1,1]=4 2 B6R0.1 CCCC(=O)OC 20-0400 [1,0,0,0,0,0|1,1,1]=4 3 B6R0.1 CCC[C@@H](O)CC 40-0600 [1,0,0,0,0,0|0,1,0]=2 4 B6R0.1 CCNC(=O)CO 08-10467 [1,0,0,0,0,0|1,1,1]=4 5 B6R0.6 CCCCCC=O 023326S [1,0,0,0,0,0|0,0,2]=3 6 B6R0.6 CCCCCCC 05-0700 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.6 CCCCCCF 26-926 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.6 N#CCCCCN 08-6256 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.3 CCCC(=O)[C@@H](N)CO 56-1313 [0,1,0,0,0,0|0,1,1]=3 10 B8R0.3 CCOC(=O)[C@@H](N)CO 04-2440 [0,1,0,0,0,0|1,1,1]=4 11 B8R0.3 CCOC(=O)[C@@H](N)CO 22-408 [0,1,0,0,0,0|1,1,1]=4 12 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO BIO-777 [0,1,0,0,0,0|1,1,1]=4 13 B8R0.5 CCC[C@H](O)CC(=O)O 14-0603 [0,1,0,0,0,0|0,1,1]=3 14 B8R1.4 CN1CCC[C@H](N)C1 020943 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 CN1CCC[C@H](N)C1 020944S [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 CN1CCC[C@H](N)C1 08-4585 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 CN1CCC[C@H](N)C1 26-2723 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 CN1CCC[C@H](O)C1 020119S [0,0,0,1,0,0|2,0,0]=3 19 B8R1.4 CN1CCC[C@H](O)C1 020973S [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 CN1CCC[C@H](O)C1 08-5296 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,0,0,1,0,0|1,1,1]=4 22 B8R1.4 C[C@H]1C[C@@H](O)CCN1 08-7714 [0,0,0,1,0,0|1,1,0]=3 23 B8R1.4 C[C@H]1C[C@@H](O)CCN1 26-1164 [0,0,0,1,0,0|1,1,0]=3 24 B8R1.8 CNC[C@H]1CCOC1 08-5497 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.8 COC[C@H]1CCCN1 020617 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 COC[C@H]1CCCN1 04-2112 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 NCC[C@H]1CCCO1 08-5690 [0,0,0,1,0,0|1,1,0]=3 28 B8R1.11 CN1CCC[C@@H]1CN 020403 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.11 CN1CCC[C@@H]1CN 08-5387 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.22 CN1CCCNCC1 08-5496 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.66 NC1(CCO)COC1 23-1822 [0,0,0,1,0,0|2,0,0]=3 32 B5R0.1 CCCB(O)O 08-422 [2,0,0,0,0,0|1,1,0]=4 33 B5R0.1 CCCC(=O)O 10-0400 [2,0,0,0,0,0|0,1,1]=4 34 B5R0.2 CCCCCC 05-0600 [2,0,0,0,0,0|0,0,0]=2 35 B5R0.2 CCCCCF 26-1004 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.2 CCCCCO 40-0500 [2,0,0,0,0,0|0,0,0]=2 37 B5R0.2 FCCCCBr 09-3175 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.2 FCCCCF 27-110 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 NCCCCN BIO-341 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 NCCCCN BIO-688 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CC[C@H](C)CO 025049S [2,0,0,0,0,0|1,0,0]=3 42 B7R0.2 CC(C)C[C@H](N)CO 024045 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.3 CSCC[C@H](N)CO 022900 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.3 CSCC[C@H](N)CO 04-2082 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.5 CCC[C@H](N)C(=O)O 021880 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.10 CC[C@@H](C)[C@@H](N)CO 04-1851 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [1,1,0,0,0,0|0,1,0]=3 53 B7R0.10 OC[C@H](O)[C@@H](S)CS MB1015 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [1,1,0,0,0,0|1,1,0]=4 55 B7R0.1 CCCCCCCC 05-0800 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.1 CCCCCCCF 26-925 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.1 CCCCCCCO 40-0700 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.1 [N-]=[N+]=NCCCCO 08-9610 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.4 CCCCCC(=O)O 10-0600 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.4 NCCCCC(=O)O 12-902 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.8 CC\C=C\[C@@H](O)[C@@H](N)CO 56-1304 [0,2,0,0,0,0|0,1,1]=4 62 B9R0.8 CC\C=C\[C@@H](O)[C@@H](N)CO 56-1324 [0,2,0,0,0,0|0,1,1]=4 63 B9R0.8 CC\C=C\[C@@H](O)[C@@H](N)CO 56-1327 [0,2,0,0,0,0|0,1,1]=4 64 B9R0.34 CCC[C@H](O)CC(=O)OC 24-0603 [0,2,0,0,0,0|0,1,1]=4 65 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO 023810 [0,2,0,0,0,0|1,1,0]=4 66 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO 20-2216 [0,2,0,0,0,0|1,1,0]=4 67 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO 20-2226 [0,2,0,0,0,0|1,1,0]=4 68 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO 024311 [0,2,0,0,0,0|1,1,0]=4 69 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO BIO-016 [0,2,0,0,0,0|1,1,0]=4 70 B7R1.1 BrC[C@H]1CCOC1 08-5652 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 CN[C@H]1CCOC1 021584 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 FC[C@H]1CCCN1 08-5262 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.1 NCC1CCCC1 08-3096 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.1 NC[C@H]1CCCO1 08-8019 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.1 NC[C@H]1CCOC1 024073 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.1 NC[C@H]1CCOC1 024079 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 NC[C@H]1CCOC1 08-7947 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.1 OC[C@H]1CCCN1 04-1811 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.1 OC[C@H]1CCCN1 04-1812 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.1 OC[C@H]1CCCN1 24-1413 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.1 OC[C@H]1CCNC1 024190 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 OC[C@H]1CCNC1 024313 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 OC[C@H]1CCNC1 024378 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 OC[C@H]1CCNC1 08-5614 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 OC[C@H]1CCNC1 23-1825 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 OC[C@H]1CCOC1 022311S [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 OC[C@H]1CCOC1 08-5650 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.2 CN1CC[C@H](N)C1 024109 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.2 CN1CC[C@H](N)C1 024126 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.2 CN1CC[C@H](N)C1 08-5366 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.2 CN1CC[C@H](N)C1 20-1840 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 CN1CC[C@H](O)C1 024105 [1,0,0,1,0,0|1,1,0]=4 93 B7R1.2 CN1CC[C@H](O)C1 025079 [1,0,0,1,0,0|1,1,0]=4 94 B7R1.2 CN1CC[C@H](O)C1 08-5293 [1,0,0,1,0,0|1,1,0]=4 95 B7R1.2 NC1CCC(O)C1 08-6214 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 BrC1CCOCC1 08-1312 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.3 C[C@H]1COCCO1 27-297 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 ClC1CCOCC1 08-4308 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 FC1CCCCC1 26-889 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 FC1CCNCC1 26-4712 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 F[C@H]1CCCNC1 08-7348 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 F[C@H]1CCCNC1 19-2157 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 F[C@H]1CCCNC1 24-1864 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 IC1CCOCC1 08-5344 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.3 NC1CCCCC1 BIO-325 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.3 NC1CCCCC1 BIO-931 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.3 NC1CCOCC1 022312 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.3 NC1CCOCC1 08-5695 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.3 NC1CCSCC1 08-3331 [1,0,0,1,0,0|1,1,0]=4 110 B7R1.3 N[C@H]1CCCOC1 08-5691 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 O=C1CCCOC1 08-7989 [1,0,0,1,0,0|0,1,1]=4 112 B7R1.3 OC1CCOCC1 08-5300 [1,0,0,1,0,0|0,1,0]=3 113 B7R1.3 O[C@H]1CCCNC1 08-5291 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.4 O[C@H]1COC[C@H]1O 024464 [1,0,0,1,0,0|1,1,0]=4 115 B7R1.6 CCNC1COC1 08-7340 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.6 CNCC1COC1 08-7740 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.6 OCCC1COC1 08-8063 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.10 CCN1CC(O)C1 08-4604 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.10 NC1CC(CO)C1 08-4589 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.10 NCC1CC(O)C1 08-6321 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.10 NC[C@H]1C[C@@H](O)C1 08-4615 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.10 NC[C@H]1C[C@H](O)C1 08-4616 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.25 CC1(CN)CCC1 08-5468 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.25 CC1(CO)COC1 08-7572 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.25 CC1(CO)CSC1 08-5490 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.25 CCC1(N)COC1 08-7289 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.25 NC1(CO)COC1 08-6247 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.25 OCC1(F)COC1 08-5278 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.24 C1CNCCOC1 08-5738 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.24 C1CNCCSC1 08-5317 [1,0,0,1,0,0|1,1,0]=4 131 B9R1.2 CN1CCO[C@@H](CN)C1 08-4459 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.8 CNCC1CCOCC1 08-5473 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.8 NCCC1CCOCC1 08-6203 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.15 CO[C@H]1COCC[C@H]1N 08-6186 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 22-1864 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.49 CN1CCC[C@H](N)CC1 08-5365 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 O[C@@H]1C[C@@H](O)[C@@H](O)CO1 024083 [0,1,0,1,0,0|1,1,0]=4 138 B9R1.134 CC1(CCN)OCCO1 08-4014 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.134 OCCC1(O)CCCC1 08-5318 [0,1,0,1,0,0|0,1,0]=3 140 B9R1.34 CC1CC(F)CC(F)C1 26-3367 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.66 C[C@H]1CC(F)(F)CCN1 08-7191 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.89 CO[C@H]1CCCNCC1 08-7551 [0,1,0,1,0,0|1,1,0]=4 143 B9R1.148 FC1(F)CCCNCC1 08-7092 [0,1,0,1,0,0|2,0,0]=4 144 B9R2.68 C1CC2CCC(C1)N2 08-6196 [0,0,0,2,0,0|2,0,0]=4 145 B9R2.138 OC1CC2(CNC2)C1 08-6279 [0,0,0,2,0,0|2,0,0]=4 146 B9R2.138 OC1CC2(COC2)C1 08-8070 [0,0,0,2,0,0|2,0,0]=4 147 B9R2.173 C1CC2(C1)CCNC2 08-6267 [0,0,0,2,0,0|2,0,0]=4 148 B9R2.173 C1CNC2(C1)CCC2 08-6270 [0,0,0,2,0,0|2,0,0]=4 149 B9R2.173 C1C[C@@]2(CCO2)CN1 08-4044 [0,0,0,2,0,0|2,0,0]=4 150 B9R2.173 C1C[C@@]2(CCOC2)N1 19-2300 [0,0,0,2,0,0|2,0,0]=4 151 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 08-6213 [0,0,0,2,0,0|2,0,0]=4