0 B6R0.1 CCCC(=O)OC 20-0400 [0,0,0,0,0,0|0,1,0]=1 1 B6R0.1 CCC[C@@H](O)CC 40-0600 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCNC(=O)CO 08-10467 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCOC(=O)CF 26-792 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCOC(=O)CN 04-1586 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CNCC(=O)OC 04-2425 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,0,0,0,0,0|1,1,2]=4 7 B6R0.1 COC(=O)\C=C/I 08-3227 [0,0,0,0,0,0|1,1,2]=4 8 B5R0.1 C=C(C)OCC 08-3147 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CCCB(O)O 08-422 [1,0,0,0,0,0|1,1,1]=4 10 B5R0.1 CCCC(=O)O 10-0400 [1,0,0,0,0,0|0,1,0]=2 11 B5R0.1 CNCC(=O)O 04-2418 [1,0,0,0,0,0|1,1,0]=3 12 B5R0.1 CNCC(=O)O BIO-957 [1,0,0,0,0,0|1,1,0]=3 13 B5R0.1 CNCC(N)=O 04-2420 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 C\C=C\C(=O)O 020716 [1,0,0,0,0,0|0,1,2]=4 15 B5R0.1 NCCC(=O)O 025502 [1,0,0,0,0,0|1,1,0]=3 16 B5R0.1 O=C(O)CCCl CS-222 [1,0,0,0,0,0|1,1,0]=3 17 B5R0.2 CCCCCC 05-0600 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.2 CCCCCF 26-1004 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CCCCCO 40-0500 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCO\C=C/Br 08-929 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.3 CCC(=O)OC 20-0300 [1,0,0,0,0,0|0,1,0]=2 22 B5R0.3 COC(=O)CN 04-1589 [1,0,0,0,0,0|1,1,0]=3 23 B5R0.3 CSC(=N)NN 08-4024 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 O=C(CCl)CCl 08-2018 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.3 CCCCC(=O)OC 20-0500 [0,1,0,0,0,0|0,1,0]=2 26 B7R0.3 COC(=O)CCCBr CS-741 [0,1,0,0,0,0|0,1,0]=2 27 B7R0.3 COC(=O)CN=[N+]=[N-] 08-2360 [0,1,0,0,0,0|2,1,0]=4 28 B7R0.5 CCOC(=O)C(F)F 26-787 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.5 CCOC(=O)[C@@H](F)Cl 26-781 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.5 CCOC(=O)[C@@H](F)I 26-809 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.7 CCCC(=O)OCC 023317S [0,1,0,0,0,0|0,1,0]=2 34 B7R0.7 CCOC(=O)CCN 04-130 [0,1,0,0,0,0|1,1,0]=3 35 B7R0.7 CCOC(=O)CNC 04-2424 [0,1,0,0,0,0|1,1,0]=3 36 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,1,0,0,0,0|1,1,1]=4 37 B7R0.10 COC(=O)C(=O)OC 25-0200 [0,1,0,0,0,0|1,1,1]=4 38 B7R0.10 COC(=O)[C@@H](N)CCl 04-1036 [0,1,0,0,0,0|1,1,0]=3 39 B7R0.10 COC(=O)[C@@H](N)CO 04-2444 [0,1,0,0,0,0|1,1,0]=3 40 B7R0.10 COC(=O)[C@@H](N)CO 25-081 [0,1,0,0,0,0|1,1,0]=3 41 B7R0.10 COC(=O)[C@H](C)OC CS-795 [0,1,0,0,0,0|1,1,0]=3 42 B7R1.1 BrCC1=CCCC1 08-6691 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 CN1CCC(=O)C1 08-3269 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 FC1CCCCC1 26-889 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 NC1CCCCC1 BIO-325 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 NC1CCCCC1 BIO-931 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 O=C1CCCNC1 08-7861 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 O=C1CCCOC1 08-7989 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 O=C1CCCSC1 08-7956 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 O=C1CCNCC1 06-1702 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 O=C1CCSCC1 08-5722 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.3 O=C1COCCN1 08-7686 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 O=S1CCNCC1 08-5711 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.4 N[C@H]1CCSC1=O BIO-831 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.4 O=C1CCC=C1Br 08-1640 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.4 O=C1NCC[C@H]1O 08-10451 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.22 NNC(=O)C1CC1 08-6988 [0,0,0,1,0,0|2,0,0]=3 59 B4R0.1 CC(=O)CF 26-862 [2,0,0,0,0,0|1,0,0]=3 60 B4R0.1 CC(=O)NO BIO-467 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 CCC(=O)O 10-0300 [2,0,0,0,0,0|0,1,0]=3 62 B4R0.1 COC(C)=O 20-0200 [2,0,0,0,0,0|0,1,0]=3 63 B4R0.1 CS[S+](C)C 26-732 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 NC(=O)CBr CS-113 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 NCC(=O)O BIO-131 [2,0,0,0,0,0|1,1,0]=4 66 B4R0.1 NCC(N)=O 06-036 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 O=C(O)CI CS-620 [2,0,0,0,0,0|1,1,0]=4 68 B4R0.1 O=C(O)CO 026169 [2,0,0,0,0,0|1,1,0]=4 69 B4R0.2 CCCCO 40-0400 [2,0,0,0,0,0|0,0,2]=4 70 B4R0.2 CCCNN 08-9468 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.2 CC(C)CC(=O)O 022864S [1,1,0,0,0,0|0,1,0]=3 72 B6R0.2 C[C@H](O)CC(=O)O 021350 [1,1,0,0,0,0|0,1,0]=3 73 B6R0.3 CCC(=O)C(=O)O BIO-852 [1,1,0,0,0,0|0,1,1]=4 74 B6R0.3 CC[C@H](N)C(=O)O 04-246 [1,1,0,0,0,0|0,1,0]=3 75 B6R0.3 CC[C@H](N)C(=O)O 04-247 [1,1,0,0,0,0|0,1,0]=3 76 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [1,1,0,0,0,0|1,1,0]=4 77 B6R0.3 NC(=O)[C@@H](N)CO 04-2431 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 NC[C@H](F)C(=O)O 09-619 [1,1,0,0,0,0|1,1,0]=4 79 B6R0.3 NC[C@H](N)C(=O)O 04-1099 [1,1,0,0,0,0|1,1,0]=4 80 B6R0.3 NC[C@H](N)C(=O)O 04-1100 [1,1,0,0,0,0|1,1,0]=4 81 B6R0.3 N[C@@H](CO)C(=O)O 025605 [1,1,0,0,0,0|1,1,0]=4 82 B6R0.3 N[C@@H](CO)C(=O)O BIO-431 [1,1,0,0,0,0|1,1,0]=4 83 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [1,1,0,0,0,0|1,1,0]=4 84 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [1,1,0,0,0,0|1,1,0]=4 85 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [1,1,0,0,0,0|1,1,0]=4 86 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [1,1,0,0,0,0|1,1,0]=4 87 B6R0.4 CCCCC(=O)O 025124 [1,1,0,0,0,0|0,1,0]=3 88 B6R0.4 CCCCC(=O)O 71-0509 [1,1,0,0,0,0|0,1,0]=3 89 B6R0.4 NCCCC(=O)O 020706 [1,1,0,0,0,0|0,1,0]=3 90 B6R0.4 NCCCC(=O)O 06-1637 [1,1,0,0,0,0|0,1,0]=3 91 B6R0.6 CCCCCCC 05-0700 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.6 CCCCCCF 26-926 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.2 COC(=O)C(=O)[C@H](C)Br 08-6545 [0,2,0,0,0,0|0,1,1]=4 94 B8R0.2 COC(=O)[C@@H](N)C(C)C 04-2682 [0,2,0,0,0,0|0,1,0]=3 95 B8R0.2 COC(=O)[C@@H](N)C(C)C 20-1890 [0,2,0,0,0,0|0,1,0]=3 96 B8R0.2 COC(=O)[C@@H](N)C(C)C 22-1811 [0,2,0,0,0,0|0,1,0]=3 97 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 04-2506 [0,2,0,0,0,0|0,1,0]=3 98 B8R0.5 CCOC(=O)CC(C)C 023335S [0,2,0,0,0,0|0,1,0]=3 99 B8R0.19 CCC(=O)C[C@@H](C)CC 025226S [0,2,0,0,0,0|1,0,0]=3 100 B8R0.19 COC(=O)CC(=O)OC 25-0300 [0,2,0,0,0,0|0,1,1]=4 101 B8R0.24 CNC(=O)OC(C)(C)C 08-1841 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.24 COC(=O)CC(F)(F)F 27-200 [0,2,0,0,0,0|1,1,0]=4 103 B8R0.3 C=C(CBr)C(=O)OCC 08-10346 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.3 CCCC(=O)[C@@H](N)CO 56-1313 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.3 CCC[C@H](N)C(=O)OC 04-2209 [0,2,0,0,0,0|0,1,0]=3 106 B8R0.3 CCOC(=O)C(=O)CBr 08-1104 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.3 CCOC(=O)[C@@H](N)CO 04-2440 [0,2,0,0,0,0|1,1,0]=4 108 B8R0.3 CCOC(=O)[C@@H](N)CO 22-408 [0,2,0,0,0,0|1,1,0]=4 109 B8R0.3 CCOC(=O)[C@@H](N)CS 04-1079 [0,2,0,0,0,0|1,1,0]=4 110 B8R0.6 CCCCCC(=O)CC 025222S [0,2,0,0,0,0|1,0,0]=3 111 B8R0.6 CCCCCC(=O)OC 20-0600 [0,2,0,0,0,0|0,1,0]=3 112 B8R0.6 CCCCOC(=O)CF 26-325 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.8 C=C(C)C(=O)OCCF 26-912 [0,2,0,0,0,0|2,0,0]=4 114 B8R0.9 COC(=O)CCC(=O)Cl 08-6945 [0,2,0,0,0,0|0,1,1]=4 115 B8R0.20 COC(=O)C(OC)OC CS-764 [0,2,0,0,0,0|1,1,0]=4 116 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 O=C1CCNC1 08-5561 [1,0,0,1,0,0|1,0,0]=3 118 B6R1.2 O=C1CCOC1 08-5730 [1,0,0,1,0,0|1,0,0]=3 119 B6R1.5 NC1CC(=O)C1 08-4619 [1,0,0,1,0,0|1,0,0]=3 120 B6R1.5 O=C1CC(Br)C1 08-6789 [1,0,0,1,0,0|1,0,0]=3 121 B6R1.10 O=S1(=O)CCC1 08-5712 [1,0,0,1,0,0|1,1,0]=4 122 B6R1.11 N=C(N)C1CC1 08-6889 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.1 C1=CCNCC1 08-5660 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.6 CSC1CNC1 08-5390 [1,0,0,1,0,0|1,0,1]=4 125 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,1,0,1,0,0|2,0,0]=4 126 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.51 CC1(C)COC(=O)N1 08-5111 [0,1,0,1,0,0|1,1,0]=4 132 B8R1.2 COC1=CCOCC1 08-4018 [0,1,0,1,0,0|1,1,0]=4 133 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.5 CN1CCNCC1=O 08-7559 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.5 O=C1CCCC=C1Br 08-1639 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.5 O=C1CCOC[C@@H]1Br 08-6716 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.5 O=C1CCOC[C@@H]1F 08-3979 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.22 O=C1CCCCCO1 19-1299 [0,1,0,1,0,0|0,1,0]=3 139 B8R1.22 O=C1CCSCCN1 08-5724 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.38 COC(=O)C1CNC1 08-4021 [0,1,0,1,0,0|0,1,0]=3