0 B5R0.1 C=C(C)OCC 08-3147 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CCCC(=O)O 10-0400 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C\C=C\C(=O)O 020716 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 NCCC(=O)O 025502 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 O=C(O)CCCl CS-222 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)CF 26-862 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(=O)NO BIO-467 [1,0,0,0,0,0|2,1,0]=4 7 B4R0.1 CC(C)=CBr 08-1738 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|0,1,1]=3 9 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 COC(C)=O 20-0200 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CS[S+](C)C 26-732 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|1,1,1]=4 13 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|1,1,1]=4 14 B4R0.1 F\C=C(\F)Cl 26-2755 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 NC(=O)CBr CS-113 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 NC(=S)CF 08-7361 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 NCC(=O)O BIO-131 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 NCC(N)=O 06-036 [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|3,0,0]=4 20 B4R0.1 O=C(O)CO 026169 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.2 CCCCO 40-0400 [1,0,0,0,0,0|0,1,2]=4 22 B6R0.1 CCCC(=O)OC 20-0400 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CCNC(=O)CO 08-10467 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=O)CF 26-792 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 CCOC(=O)CN 04-1586 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 COC(=O)\C=C/I 08-3227 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(C)=CB(O)O 08-1082 [0,1,0,0,0,0|1,1,0]=3 29 B6R0.3 CC(C)C(=O)NN 08-5319 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|0,1,2]=4 31 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|0,1,2]=4 32 B6R0.3 CCC(=O)C(=O)O BIO-852 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 N[C@@H](CS)C(=O)O 04-1080 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 N[C@@H](CS)C(=O)O 04-1081 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 N[C@@H](CS)C(=O)O BIO-116 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 N[C@@H](CS)C(=O)O BIO-436 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.4 FC(F)=CCCBr 27-038 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.5 C[N+](C)(C)CCO BIO-108 [0,1,0,0,0,0|1,1,1]=4 39 B6R1.2 BrC1=NSC=C1 08-5883 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 C[C@H]1CCCN1 04-2368 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 ClC1=NSC=C1 08-3525 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 O=C1C=CSN1 08-6056 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 O=C1CCNC1 08-5561 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 O=C1CCOC1 08-5730 [0,0,0,1,0,0|1,1,1]=4 45 B6R1.3 NCCC1CC1 08-7026 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.3 OCCC1CC1 08-7025 [0,0,0,1,0,0|0,1,2]=4 47 B6R1.5 CN1CC(N)C1 08-5360 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.5 CN1CC(O)C1 08-5286 [0,0,0,1,0,0|1,1,1]=4 49 B6R1.5 NC1CC(=O)C1 08-4619 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.5 O=C1CC(Br)C1 08-6789 [0,0,0,1,0,0|2,0,1]=4 51 B3R0.1 NCCS BIO-755 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 C[O+](C)C 26-2013 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 C=C(CO)CO 08-5506 [1,1,0,0,0,0|0,1,1]=4 54 B5R0.3 CCC(=O)OC 20-0300 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.3 CC[C@H](C)CO 025049S [1,1,0,0,0,0|0,0,2]=4 56 B5R0.3 COC(=O)CN 04-1589 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.3 O=C(CCl)CCl 08-2018 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|0,1,1]=4 59 B5R0.5 CC(=O)C(=O)O 020761 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.5 CC(=O)C(F)F 27-108 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.5 CC(=O)[C@H](C)F 26-3573 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.5 CC(C)C(N)=O 08-2289 [1,1,0,0,0,0|0,1,1]=4 63 B5R0.5 CC(C)C(N)=S 08-2423 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.2 BrC\C=C\CBr 06-1379 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.2 CCO\C=C/Br 08-929 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,2,0,0,0,0|2,0,0]=4 67 B5R1.2 CC1CNC1 08-5492 [1,0,0,1,0,0|1,0,1]=4 68 B5R1.2 NC1CSC1 08-5714 [1,0,0,1,0,0|1,0,1]=4 69 B5R1.2 O=C1CNC1 08-4650 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.2 O=C1COC1 08-2476 [1,0,0,1,0,0|1,1,0]=4 71 B5R1.2 O=C1CSC1 08-4092 [1,0,0,1,0,0|1,0,0]=3 72 B5R1.3 BrCC1CC1 08-1050 [1,0,0,1,0,0|1,0,1]=4 73 B5R1.3 CNC1CC1 08-10334 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.3 CNC1CC1 08-5491 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.1 BrCC1=CCCC1 08-6691 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.1 NCC1=CSC=C1 08-2562 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.2 CC1=CSC(N)=C1 08-4614 [0,1,0,1,0,0|0,0,2]=4 78 B7R1.2 CC1=NSC(I)=C1 08-3999 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.3 O=C1CCCSC1 08-7956 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.3 O=C1CCSCC1 08-5722 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.6 COC=C1COC1 08-5519 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.6 N#CC=C1COC1 08-8060 [0,1,0,1,0,0|1,0,1]=4