0 B5R0.3 C=C(CO)CO 08-5506 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.3 CC[C@H](C)CO 025049S [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CC[C@H](C)NN 08-9272 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 O=C(CCl)CCl 08-2018 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 O=C[C@@H](O)CO BIO-609 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.3 O=C[C@@H](O)CO BIO-610 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 OC(CF)CF 26-701 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 O[C@@H](CF)CCl 26-408 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(=O)CF 26-862 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(=O)NO BIO-467 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CCB(O)O 08-278 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 FC(F)CI 27-171 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 NCC(=O)O BIO-131 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 NCC(F)F 27-111 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 NCC(F)F 27-112 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 O=C(O)CI CS-620 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 O=C(O)CO 026169 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 OCC(F)F 26-660 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 CCCCO 40-0400 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 CCCNN 08-9468 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 ClCCCI 08-5068 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 FCCCF 26-3361 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 NCCCCl 19-913 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 OCCCF 26-3886 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CCNC(=O)CO 08-10467 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,1,0,0,0,0|1,1,1]=4 43 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,1,0,0,0,0|1,1,1]=4 44 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,1,0,0,0,0|1,1,1]=4 45 B6R0.8 CC(N)(CO)CO BIO-030 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.9 CCC(CC)NN 08-9439 [0,1,0,0,0,0|3,0,0]=4 47 B6R1.2 Br[C@H]1CCOC1 08-4941 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 F[C@H]1CCNC1 023811 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 F[C@H]1CCNC1 025083 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 F[C@H]1CCNC1 08-5242 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 I[C@H]1CCOC1 08-5328 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 N[C@H]1CCOC1 025406S [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 N[C@H]1CCOC1 08-6170 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 O=C1CCOC1 08-5730 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 O[C@H]1CCNC1 021873 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.2 O[C@H]1CCNC1 025212S [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 O[C@H]1CCNC1 025430 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 O[C@H]1CCNC1 08-5290 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.2 O[C@H]1CCOC1 025772 [0,0,0,1,0,0|1,0,0]=2 60 B6R1.2 O[C@H]1CCOC1 08-5304 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,1,0,0|1,0,2]=4 62 B6R1.6 BrC[C@H]1CCO1 08-4710 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.6 CNC1COC1 08-4007 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.6 CNC1COC1 22-1821 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.6 ICC1COC1 08-7487 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.6 IC[C@H]1CCO1 08-7488 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.6 NCC1CCC1 08-5019 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.6 NCC1CCC1 08-5062 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.6 NCC1COC1 08-4032 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.6 NC[C@H]1CCO1 08-5756 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.6 OCC1CNC1 08-3836 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.6 OCC1COC1 08-5764 [0,0,0,1,0,0|1,0,0]=2 73 B6R1.6 OC[C@H]1CCO1 08-5757 [0,0,0,1,0,0|1,0,0]=2 74 B6R1.7 NC1(CO)CC1 08-4660 [0,0,0,1,0,0|2,0,0]=3 75 B3R0.1 CCNN 08-6014 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 FCCI 26-3656 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 NCCBr 20-101 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 NCCS BIO-755 [2,0,0,0,0,0|1,1,0]=4 79 B3R0.2 CB(O)O 08-378 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.2 C[O+](C)C 26-2013 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 CCCB(O)O 08-422 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|0,0,2]=4 83 B5R0.5 C[C@H](N)C(=O)O 04-113 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.5 C[C@H](N)C(=O)O BIO-434 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.5 C[C@H](N)C(=O)O BIO-440 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.5 C[C@H](O)C(=O)O BIO-636 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.5 OB(O)B(O)O 08-6151 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.2 CCCCCC 05-0600 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.2 CCCCCF 26-1004 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.2 CCCCCO 40-0500 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.2 FCCCCBr 09-3175 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.2 FCCCCF 27-110 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.2 NCCCCN BIO-341 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.2 NCCCCN BIO-688 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 CC(C)C[C@H](N)CO 024045 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.2 NC[C@@H](O)CC(=O)O 04-273 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.3 CSCC[C@H](N)CO 022900 [0,2,0,0,0,0|1,1,0]=4 101 B7R0.3 CSCC[C@H](N)CO 04-2082 [0,2,0,0,0,0|1,1,0]=4 102 B7R0.10 CC[C@@H](C)[C@@H](N)CO 04-1851 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [0,2,0,0,0,0|1,0,0]=3 104 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.10 OC[C@H](O)[C@@H](S)CS MB1015 [0,2,0,0,0,0|0,1,0]=3 107 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [0,2,0,0,0,0|0,0,0]=2 108 B7R0.10 O[C@H](CS)[C@@H](O)CS BIO-171 [0,2,0,0,0,0|0,1,0]=3 109 B7R0.13 OCC(F)(F)C(F)F 09-2218 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.14 NC[C@H](O)C(F)(F)F 26-2307 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.14 O[C@@H](CBr)C(F)(F)F 09-393 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.18 NC(CO)(CO)CO BIO-405 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.18 NC(CO)(CO)CO BIO-406 [0,2,0,0,0,0|0,0,0]=2 119 B7R0.18 NC(CO)(CO)CO BIO-407 [0,2,0,0,0,0|0,0,0]=2 120 B5R1.2 BrC1COC1 08-3874 [1,0,0,1,0,0|1,0,0]=3 121 B5R1.2 CC1CNC1 08-5492 [1,0,0,1,0,0|2,0,0]=4 122 B5R1.2 ClC1CNC1 08-5066 [1,0,0,1,0,0|2,0,0]=4 123 B5R1.2 ClC1COC1 08-7070 [1,0,0,1,0,0|1,0,0]=3 124 B5R1.2 FC1CNC1 08-3180 [1,0,0,1,0,0|2,0,0]=4 125 B5R1.2 IC1COC1 08-3990 [1,0,0,1,0,0|1,0,0]=3 126 B5R1.2 NC1CNC1 08-2841 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.2 NC1COC1 025941 [1,0,0,1,0,0|1,0,0]=3 128 B5R1.2 NC1COC1 08-3290 [1,0,0,1,0,0|1,0,0]=3 129 B5R1.2 NC1CSC1 08-5714 [1,0,0,1,0,0|1,1,0]=4 130 B5R1.2 O=C1COC1 08-2476 [1,0,0,1,0,0|0,0,2]=4 131 B5R1.2 OC1CNC1 08-3985 [1,0,0,1,0,0|1,0,0]=3 132 B5R1.2 OC1COC1 08-4030 [1,0,0,1,0,0|0,0,0]=2 133 B5R1.2 SC1COC1 08-7827 [1,0,0,1,0,0|0,1,0]=3 134 B5R1.3 BrCC1CC1 08-1050 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.1 CN[C@H]1CCOC1 021584 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.1 CO[C@H]1CCNC1 021663 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 CO[C@H]1CCNC1 08-5374 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 NC[C@H]1CCCO1 08-8019 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.1 NC[C@H]1CCOC1 024073 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 NC[C@H]1CCOC1 024079 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.1 OC[C@H]1CCCN1 04-1811 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.1 OC[C@H]1CCCN1 04-1812 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.1 OC[C@H]1CCCN1 24-1413 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.1 OC[C@H]1CCNC1 024190 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.1 OC[C@H]1CCNC1 024313 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 OC[C@H]1CCNC1 024378 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.1 OC[C@H]1CCNC1 08-5614 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.1 OC[C@H]1CCNC1 23-1825 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.1 OC[C@H]1CCOC1 022311S [0,1,0,1,0,0|1,0,0]=3 152 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.2 CN1CC[C@H](O)C1 024105 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 CN1CC[C@H](O)C1 025079 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.2 NC1CCC(O)C1 08-6214 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.3 BrC1CCOCC1 08-1312 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.3 C[C@H]1COCCO1 27-297 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.3 ClC1CCOCC1 08-4308 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.3 IC1CCOCC1 08-5344 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.3 NC1CCOCC1 022312 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.3 NC1CCOCC1 08-5695 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 N[C@H]1CCCOC1 08-5691 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.3 OC1CCOCC1 08-5300 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,1,0,1,0,0|0,0,0]=2 167 B7R1.6 CCNC1COC1 08-7340 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.6 CNCC1COC1 08-7740 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.6 COCC1CNC1 021746 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.6 COCC1CNC1 08-4564 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.6 OCCC1COC1 08-8063 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.10 NC1CC(CO)C1 08-4589 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.10 NCC1CC(O)C1 08-6321 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.10 NC[C@H]1C[C@@H](O)C1 08-4615 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.10 NC[C@H]1C[C@H](O)C1 08-4616 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.10 O=C1CC(CO)C1 08-5307 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.25 C#CC1(O)COC1 08-7273 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.25 CC1(CBr)COC1 08-4700 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.25 CC1(CCl)COC1 08-7071 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.25 CC1(CI)COC1 08-5343 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.25 CC1(CN)COC1 08-3830 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.25 CC1(CO)COC1 08-7572 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.25 CC1(CO)CSC1 08-5490 [0,1,0,1,0,0|1,1,0]=4 184 B7R1.25 CC1(CS)COC1 08-7743 [0,1,0,1,0,0|1,1,0]=4 185 B7R1.25 CCC1(N)COC1 08-7289 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.25 FC1(CBr)COC1 08-4990 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.25 FC1(CI)COC1 08-7395 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.25 NC1(CO)COC1 08-6247 [0,1,0,1,0,0|1,0,0]=3 189 B7R1.25 NCC1(F)COC1 08-6411 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.25 NCC1(O)COC1 08-7424 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.25 OCC1(F)COC1 08-5278 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.17 C[C@@H]1OCC1(N)N 20-1815 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.14 C[C@]1(O)CCNC1 08-5292 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.29 OCC1(CO)CC1 08-4974 [0,1,0,1,0,0|1,0,0]=3