0 B6R0.6 CCCCCC=O 023326S [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCCCCCC 05-0700 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 CCCCCCF 26-926 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 BrC\C=C\CBr 06-1379 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.2 CCCCCC 05-0600 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.2 CCCCCF 26-1004 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.2 CCCCCO 40-0500 [1,0,0,0,0,0|0,0,1]=2 7 B5R0.2 CCO\C=C/Br 08-929 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 FCCCCBr 09-3175 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 FCCCCF 27-110 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 NCCCCN BIO-341 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 NCCCCN BIO-688 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 CCCCCCCC 05-0800 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCCCCF 26-925 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.1 CCCCCCCO 40-0700 [0,1,0,0,0,0|0,0,2]=3 15 B7R0.3 CCCCC(=O)OC 20-0500 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.3 COC(=O)CCCBr CS-741 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.3 CSCC[C@H](N)CO 022900 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.3 CSCC[C@H](N)CO 04-2082 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.4 CCCCCC(=O)O 10-0600 [0,1,0,0,0,0|0,0,3]=4 20 B7R0.4 CCC\C=C\B(O)O 08-3735 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.4 C\C=C\C=C\C(=O)O 020731 [0,1,0,0,0,0|0,0,3]=4 22 B7R0.7 CCCC(=O)OCC 023317S [0,1,0,0,0,0|2,0,0]=3 23 B7R0.7 CCOC(=O)CCN 04-130 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.7 CCOC(=O)CNC 04-2424 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 BrCC1=CCCC1 08-6691 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 FC[C@H]1CCCN1 08-5262 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.1 NCC1CCCC1 08-3096 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.1 NC[C@H]1CCCO1 08-8019 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.1 NC[C@H]1CCOC1 024073 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.1 NC[C@H]1CCOC1 024079 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.1 OCC1=CC=CO1 025186S [0,0,0,1,0,0|1,0,2]=4 34 B7R1.1 OCC1=NNC=C1 08-7446 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.1 OC[C@H]1CCCN1 04-1811 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.1 OC[C@H]1CCCN1 04-1812 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.1 OC[C@H]1CCCN1 24-1413 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.1 OC[C@H]1CCNC1 024190 [0,0,0,1,0,0|1,0,1]=3 39 B7R1.1 OC[C@H]1CCNC1 024313 [0,0,0,1,0,0|1,0,1]=3 40 B7R1.1 OC[C@H]1CCNC1 024378 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.1 OC[C@H]1CCNC1 08-5614 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.1 OC[C@H]1CCNC1 23-1825 [0,0,0,1,0,0|1,0,1]=3 43 B7R1.1 OC[C@H]1CCOC1 022311S [0,0,0,1,0,0|1,0,1]=3 44 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,0,0,1,0,0|1,0,1]=3 45 B7R1.3 BrC1CCOCC1 08-1312 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 C[C@H]1COCCO1 27-297 [0,0,0,1,0,0|1,0,1]=3 47 B7R1.3 ClC1CCOCC1 08-4308 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 FC1CCCCC1 26-889 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.3 FC1CCNCC1 26-4712 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.3 F[C@H]1CCCNC1 08-7348 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 F[C@H]1CCCNC1 19-2157 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 F[C@H]1CCCNC1 24-1864 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 IC1CCOCC1 08-5344 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 NC1CCCCC1 BIO-325 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.3 NC1CCCCC1 BIO-931 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.3 NC1CCOCC1 022312 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.3 NC1CCOCC1 08-5695 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.3 NC1CCSCC1 08-3331 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.3 N[C@H]1CCCOC1 08-5691 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.3 OC1CCOCC1 08-5300 [0,0,0,1,0,0|1,0,1]=3 61 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.6 COC=C1COC1 08-5519 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.6 OCCC1COC1 08-8063 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.24 C1CNCCOC1 08-5738 [0,0,0,1,0,0|1,0,1]=3 67 B7R1.24 C1CNCCSC1 08-5317 [0,0,0,1,0,0|1,1,1]=4 68 B4R0.2 C=CCNN 08-9875 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 CCCCO 40-0400 [2,0,0,0,0,0|0,0,0]=2 70 B4R0.2 CCCNN 08-9468 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.2 ClCCCI 08-5068 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 FCCCF 26-3361 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 NCCCCl 19-913 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 OCCCF 26-3886 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.1 CCCC(=O)OC 20-0400 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCC[C@@H](O)CC 40-0600 [1,1,0,0,0,0|0,0,2]=4 77 B6R0.1 CCNC(=O)CO 08-10467 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.1 CCOC(=O)CF 26-792 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.1 CCOC(=O)CN 04-1586 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 CCCCC(=O)O 025124 [1,1,0,0,0,0|0,0,2]=4 81 B6R0.4 CCCCC(=O)O 71-0509 [1,1,0,0,0,0|0,0,2]=4 82 B6R0.4 FC(F)=CCCBr 27-038 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.4 C#CCCCCCCO 08-4029 [0,2,0,0,0,0|0,0,2]=4 84 B8R0.4 CCCCCCCCO 40-0800 [0,2,0,0,0,0|0,0,2]=4 85 B8R0.6 CCCCCC(=O)CC 025222S [0,2,0,0,0,0|1,0,1]=4 86 B8R0.6 CCCCC[C@@H](O)CC 023170S [0,2,0,0,0,0|0,0,2]=4 87 B8R0.7 CCCCCCB(O)O 08-788 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.7 CCCCCCC(=O)O 10-0700 [0,2,0,0,0,0|0,0,2]=4 89 B8R0.3 CCCC(=O)[C@@H](N)CO 56-1313 [0,2,0,0,0,0|0,0,1]=3 90 B8R0.3 CCOC(=O)[C@@H](N)CO 04-2440 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.3 CCOC(=O)[C@@H](N)CO 22-408 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.3 CCOC(=O)[C@@H](N)CS 04-1079 [0,2,0,0,0,0|1,1,0]=4 93 B8R0.9 CCC(=O)NCC(=O)O 41-0303 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.19 CCC(=O)C[C@@H](C)CC 025226S [0,2,0,0,0,0|1,0,1]=4 95 B8R0.5 CCOC(=O)CC(C)C 023335S [0,2,0,0,0,0|2,0,0]=4 96 B6R1.1 C1=CCNCC1 08-5660 [1,0,0,1,0,0|1,0,0]=3 97 B6R1.1 C1COCCN1 26-4249 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.1 C1COCCN1 27-202 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.2 Br[C@H]1CCOC1 08-4941 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.2 F[C@H]1CCNC1 023811 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 F[C@H]1CCNC1 025083 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.2 F[C@H]1CCNC1 08-5242 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.2 I[C@H]1CCOC1 08-5328 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 N[C@H]1CCOC1 025406S [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 N[C@H]1CCOC1 08-6170 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.2 O=C1C=CCO1 08-3977 [1,0,0,1,0,0|1,0,1]=4 108 B6R1.2 O[C@H]1CCNC1 021873 [1,0,0,1,0,0|1,0,0]=3 109 B6R1.2 O[C@H]1CCNC1 025212S [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 O[C@H]1CCNC1 025430 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.2 O[C@H]1CCNC1 08-5290 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.2 O[C@H]1CCOC1 025772 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 O[C@H]1CCOC1 08-5304 [1,0,0,1,0,0|1,0,0]=3 114 B6R1.3 NCCC1CC1 08-7026 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.3 OCCC1CC1 08-7025 [1,0,0,1,0,0|0,0,1]=3 116 B6R1.6 BrC[C@H]1CCO1 08-4710 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.6 IC[C@H]1CCO1 08-7488 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.6 NCC1CCC1 08-5019 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.6 NCC1CCC1 08-5062 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.6 NC[C@H]1CCO1 08-5756 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.6 OCC1CNC1 08-3836 [1,0,0,1,0,0|1,0,1]=4 122 B6R1.6 OCC1COC1 08-5764 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.6 OC[C@H]1CCO1 08-5757 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.2 COC1=CCOCC1 08-4018 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.2 COC1CCNCC1 021332S [0,1,0,1,0,0|1,0,1]=4 126 B8R1.2 COC1CCNCC1 08-5414 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.2 CO[C@H]1CCCNC1 08-5475 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.2 OCC1CCNCC1 08-5594 [0,1,0,1,0,0|0,0,2]=4 129 B8R1.2 OCC1CCOCC1 08-6144 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.2 OCC1CCSCC1 08-6150 [0,1,0,1,0,0|0,0,2]=4 131 B8R1.2 OC[C@H]1CCCCN1 021315 [0,1,0,1,0,0|0,0,2]=4 132 B8R1.2 OC[C@H]1CCCNC1 08-5593 [0,1,0,1,0,0|0,0,2]=4 133 B8R1.5 NC1COCCC1O 08-6364 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.5 N[C@@H]1CCOC[C@@H]1O 20-2215 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.8 COC[C@H]1CCCN1 020617 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.8 COC[C@H]1CCCN1 04-2112 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.8 NCC[C@H]1CCCO1 08-5690 [0,1,0,1,0,0|0,0,2]=4 138 B8R1.11 CN1N=CC=C1CO 08-4466 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.22 O=C1CCCCCO1 19-1299 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.22 O=C1CCSCCN1 08-5724 [0,1,0,1,0,0|1,1,0]=4 141 B8R1.1 CN1C=CC(CO)=N1 08-3720 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.1 CN1CC[C@H](CO)C1 020330 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.1 CN1CC[C@H](CO)C1 08-7428 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,1,0,1,0,0|1,0,0]=3 145 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.4 CN1CCC[C@H](O)C1 020119S [0,1,0,1,0,0|1,0,1]=4 148 B8R1.4 CN1CCC[C@H](O)C1 020973S [0,1,0,1,0,0|1,0,1]=4 149 B8R1.4 CN1CCC[C@H](O)C1 08-5296 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.4 C[C@H]1CNC[C@H](C)O1 08-7205 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.4 C[C@H]1C[C@@H](O)CCN1 08-7714 [0,1,0,1,0,0|1,0,1]=4 153 B8R1.4 C[C@H]1C[C@@H](O)CCN1 26-1164 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.72 CC1(C)CNCCO1 08-5147 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.72 CC1(O)CCNCC1 08-5363 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.72 CC1(O)CCNCC1 20-2105 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.72 C[C@]1(O)CCCNC1 08-5466 [0,1,0,1,0,0|1,0,1]=4 159 B8R2.34 C1O[C@@H]2CN[C@H]1C2 08-3289 [0,0,0,2,0,0|1,0,1]=4