0 B5R0.3 CCC(=O)OC 20-0300 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 CC[C@H](C)CO 025049S [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CC[C@H](C)NN 08-9272 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 O=CC(Br)C=O 08-951 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 O=C[C@@H](O)CO BIO-609 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 O=C[C@@H](O)CO BIO-610 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 OC(CF)CF 26-701 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 O[C@@H](CF)CCl 26-408 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)=CBr 08-1738 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CCB(O)O 08-278 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 FC(F)CI 27-171 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 NCC(=O)O BIO-131 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 NCC(F)F 27-111 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NCC(F)F 27-112 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 O=C(O)CI CS-620 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 O=C(O)CO 026169 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 OCC(F)F 26-660 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 C=CCNN 08-9875 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 CCCCO 40-0400 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.2 CCCNN 08-9468 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 ClCCCI 08-5068 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 FCCCF 26-3361 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 NCCCCl 19-913 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 OCCCF 26-3886 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,1,0,0,0,0|0,0,2]=3 29 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.1 COC(=O)\C=C/I 08-3227 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CC[C@H](N)C(=O)O 04-246 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 CC[C@H](N)C(=O)O 04-247 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 NC[C@H](F)C(=O)O 09-619 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 N[C@@H](CO)C(=O)O 025605 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.9 CCC(CC)NN 08-9439 [0,1,0,0,0,0|1,0,2]=4 49 B6R1.2 Br[C@H]1CCOC1 08-4941 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 C[C@H]1CCCN1 04-2368 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 F[C@H]1CCNC1 023811 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 F[C@H]1CCNC1 025083 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 F[C@H]1CCNC1 08-5242 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 I[C@H]1CCOC1 08-5328 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 N[C@H]1CCOC1 025406S [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 N[C@H]1CCOC1 08-6170 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 O=C1C=CCO1 08-3977 [0,0,0,1,0,0|1,0,2]=4 58 B6R1.2 OC1=CC=NN1 08-6049 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 O[C@H]1CCNC1 021873 [0,0,0,1,0,0|1,0,1]=3 60 B6R1.2 O[C@H]1CCNC1 025212S [0,0,0,1,0,0|1,0,1]=3 61 B6R1.2 O[C@H]1CCNC1 025430 [0,0,0,1,0,0|1,0,1]=3 62 B6R1.2 O[C@H]1CCNC1 08-5290 [0,0,0,1,0,0|1,0,1]=3 63 B6R1.2 O[C@H]1CCOC1 025772 [0,0,0,1,0,0|1,0,1]=3 64 B6R1.2 O[C@H]1CCOC1 08-5304 [0,0,0,1,0,0|1,0,1]=3 65 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.6 BrC[C@H]1CCO1 08-4710 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.6 CN[C@@H]1CCN1 08-6293 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.6 IC[C@H]1CCO1 08-7488 [0,0,0,1,0,0|1,0,1]=3 69 B6R1.6 NCC1CCC1 08-5019 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.6 NCC1CCC1 08-5062 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.6 NC[C@H]1CCO1 08-5756 [0,0,0,1,0,0|1,0,1]=3 72 B6R1.6 NNC1CCC1 08-9700 [0,0,0,1,0,0|3,0,0]=4 73 B6R1.6 OC[C@H]1CCO1 08-5757 [0,0,0,1,0,0|1,0,1]=3 74 B6R1.7 N#CC1(N)CC1 08-3833 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.7 NC1(CO)CC1 08-4660 [0,0,0,1,0,0|2,0,1]=4 76 B3R0.1 CCNN 08-6014 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 FCCI 26-3656 [2,0,0,0,0,0|2,0,0]=4 78 B3R0.1 NCCBr 20-101 [2,0,0,0,0,0|2,0,0]=4 79 B3R0.1 NCCS BIO-755 [2,0,0,0,0,0|1,1,0]=4 80 B3R0.2 CB(O)O 08-378 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 C=C(C)OCC 08-3147 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.1 CCCB(O)O 08-422 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.1 CCCC(=O)O 10-0400 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 CNCC(=O)O 04-2418 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.1 CNCC(=O)O BIO-957 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 C\C=C\C(=O)O 020716 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 NCCC(=O)O 025502 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.1 O=C(O)CCCl CS-222 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.4 C=CC(F)(F)Br 27-040 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|1,0,0]=3 91 B5R0.5 C=C(F)C(=O)O 26-4713 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.5 CC(=O)[C@H](C)F 26-3573 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.5 CC(C)C(N)=O 08-2289 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 CC(C)C(N)=S 08-2423 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.5 C[C@H](N)C(=O)O 04-113 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 C[C@H](N)C(=O)O BIO-434 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 C[C@H](N)C(=O)O BIO-440 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.5 C[C@H](N)C(N)=O 04-120 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.5 C[C@H](N)C(N)=O 04-121 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.5 C[C@H](O)C(=O)O BIO-636 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.2 CCCCCC 05-0600 [1,1,0,0,0,0|0,0,2]=4 103 B5R0.2 CCCCCF 26-1004 [1,1,0,0,0,0|0,0,2]=4 104 B5R0.2 CCCCCO 40-0500 [1,1,0,0,0,0|0,0,2]=4 105 B5R0.2 CCO\C=C/Br 08-929 [1,1,0,0,0,0|1,0,0]=3 106 B5R0.2 FCCCCBr 09-3175 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.2 FCCCCF 27-110 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.2 NCCCCN BIO-341 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.2 NCCCCN BIO-688 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,2,0,0,0,0|1,0,1]=4 111 B7R0.2 CC[C@H](O)CC(=O)O 14-0503 [0,2,0,0,0,0|0,0,1]=3 112 B7R0.2 NC[C@@H](O)CC(=O)O 04-273 [0,2,0,0,0,0|1,0,1]=4 113 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.5 CCC[C@H](N)C(=O)O 021880 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.5 CSC[C@H](N)C(=O)O 025849 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.5 N[C@@H](CCS)C(=O)O BIO-615 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [0,2,0,0,0,0|0,0,2]=4 120 B7R0.10 OC[C@H](O)[C@@H](S)CS MB1015 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.10 O[C@H](CS)[C@@H](O)CS BIO-171 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.12 COC(CCBr)OC 08-10545 [0,2,0,0,0,0|1,0,1]=4 124 B7R0.15 CN[C@@H](CO)C(=O)O 22-409 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.15 COC(OC)[C@H](C)Br 08-2909 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O 04-2498 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,2,0,0,0,0|2,0,0]=4 135 B5R1.2 OC1CNC1 08-3985 [1,0,0,1,0,0|1,0,1]=4 136 B5R1.2 OC1COC1 08-4030 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.1 BrC[C@H]1CCOC1 08-5652 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.1 CN[C@H]1CCOC1 021584 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.1 CO[C@H]1CCNC1 021663 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.1 CO[C@H]1CCNC1 08-5374 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.1 NCC1=COC=C1 08-8102 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.1 NCC1=NOC=C1 08-7508 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.1 NC[C@H]1CCCO1 08-8019 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.1 NC[C@H]1CCOC1 024073 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.1 NC[C@H]1CCOC1 024079 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.1 NC[C@H]1CCOC1 08-7947 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.1 OCC1=CC=CO1 025186S [0,1,0,1,0,0|1,0,1]=4 148 B7R1.1 OC[C@H]1CCCN1 04-1811 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 OC[C@H]1CCCN1 04-1812 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 OC[C@H]1CCCN1 24-1413 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.1 OC[C@H]1CCNC1 024190 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.1 OC[C@H]1CCNC1 024313 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.1 OC[C@H]1CCNC1 024378 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.1 OC[C@H]1CCNC1 08-5614 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.1 OC[C@H]1CCNC1 23-1825 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 OC[C@H]1CCOC1 022311S [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 OC[C@H]1CCOC1 08-5650 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.2 CN1CC[C@H](O)C1 024105 [0,1,0,1,0,0|0,0,2]=4 159 B7R1.2 CN1CC[C@H](O)C1 025079 [0,1,0,1,0,0|0,0,2]=4 160 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,1,0,1,0,0|0,0,2]=4 161 B7R1.2 NC1CCC(O)C1 08-6214 [0,1,0,1,0,0|0,0,2]=4 162 B7R1.3 OC1CCOCC1 08-5300 [0,1,0,1,0,0|0,0,2]=4 163 B7R1.3 O[C@H]1CCCNC1 08-5291 [0,1,0,1,0,0|0,0,2]=4 164 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.4 O=C1CCC=C1Br 08-1640 [0,1,0,1,0,0|0,0,2]=4 166 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,1,0,0|0,0,0]=2 169 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.25 C#CC1(O)COC1 08-7273 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.25 NCC1(O)COC1 08-7424 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.18 O=C(O)[C@@H]1CCN1 024375 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.18 O=C(O)[C@@H]1CCN1 024439 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.18 O=C(O)[C@@H]1CCN1 024974S [0,1,0,1,0,0|2,0,0]=4 175 B7R1.18 O=C(O)[C@@H]1CCN1 04-395 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.18 O=C(O)[C@@H]1CCO1 08-8067 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.19 CC1(C(=O)O)CC1 08-10054 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.19 NC1(C(=O)O)CC1 04-264 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.14 C[C@]1(O)CCNC1 08-5292 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.14 O=S1(=O)C=CCC1 08-5153 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.29 OCC1(CO)CC1 08-4974 [0,1,0,1,0,0|1,0,1]=4