0 B5R0.5 CC(=O)C(F)F 27-108 [0,0,0,0,0,0|2,1,1]=4 1 B5R0.5 CC(=O)[C@H](C)F 26-3573 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.5 CC(C)C(N)=O 08-2289 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 CC(C)C(N)=S 08-2423 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 C[C@H](Cl)C(=O)Cl CS-223 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.5 C[C@H](N)C(=O)O 04-113 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 C[C@H](N)C(=O)O BIO-434 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 C[C@H](N)C(=O)O BIO-440 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 C[C@H](N)C(N)=O 04-120 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 C[C@H](N)C(N)=O 04-121 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.5 C[C@H](O)C(=O)O BIO-636 [0,0,0,0,0,0|2,1,1]=4 11 B4R0.1 CC(=O)CF 26-862 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 CC(C)=CBr 08-1738 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(C)C=O CS-446 [1,0,0,0,0,0|0,1,1]=3 14 B4R0.1 CCB(O)O 08-278 [1,0,0,0,0,0|2,1,0]=4 15 B4R0.1 CCC(=O)O 10-0300 [1,0,0,0,0,0|1,1,1]=4 16 B4R0.1 COC(C)=O 20-0200 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 CS[S+](C)C 26-732 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C[C@H](N)CO 026144 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 C[C@H](N)CO 04-156 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 FC(F)CI 27-171 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NCC(F)F 27-111 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 NCC(F)F 27-112 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 OCC(F)F 26-660 [1,0,0,0,0,0|2,1,0]=4 24 B6R0.3 CC(C)C(=O)NN 08-5319 [0,1,0,0,0,0|1,1,1]=4 25 B6R0.3 CC(C)[C@@H](N)CO 025228 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.3 CC(C)[C@@H](N)CO 04-2687 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 COC(=O)[C@H](C)N 024047 [0,1,0,0,0,0|1,1,1]=4 29 B6R0.3 COC(=O)[C@H](C)N 04-140 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 C[C@H](O)[C@@H](N)CO 04-2510 [0,1,0,0,0,0|1,1,0]=3 31 B6R0.7 CC(C)(C)[S@@](N)=O 025261 [0,1,0,0,0,0|2,1,0]=4 32 B6R0.7 CC(C)(C)[S@@](N)=O 025364 [0,1,0,0,0,0|2,1,0]=4 33 B6R0.7 CC(C)(C)[S@@](N)=O 08-6825 [0,1,0,0,0,0|2,1,0]=4 34 B6R0.7 CC(C)(F)C(=O)O 26-4711 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.7 CC(C)(N)C(=O)O 04-276 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.7 CC(C)(O)C(=O)O 04-1798 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.7 CC(C)[B-](F)(F)F 08-2771 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.7 C[C@H](O)C(F)(F)F 26-1994 [0,1,0,0,0,0|2,1,0]=4 39 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,1,0,0|1,1,1]=4 40 B6R1.11 N=C(N)C1CC1 08-6889 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.11 OB(O)C1CC1 08-1049 [0,0,0,1,0,0|2,1,0]=4 42 B6R0.2 CC(C)CB(O)O 08-353 [0,0,0,0,0,1|2,1,0]=4 43 B6R0.2 CC(C)CC(=O)O 022864S [0,0,0,0,0,1|1,1,1]=4 44 B3R0.1 CCNN 08-6014 [2,0,0,0,0,0|2,0,0]=4 45 B3R0.1 FCCI 26-3656 [2,0,0,0,0,0|2,0,0]=4 46 B3R0.1 NCCBr 20-101 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 NCCS BIO-755 [2,0,0,0,0,0|1,0,0]=3 48 B3R0.2 C[O+](C)C 26-2013 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 C=C(C)OCC 08-3147 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.3 CCC(=O)OC 20-0300 [1,1,0,0,0,0|0,1,1]=4 51 B5R0.3 CC[C@H](C)CO 025049S [1,1,0,0,0,0|0,0,0]=2 52 B5R0.3 CC[C@H](C)NN 08-9272 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.3 OC(CF)CF 26-701 [1,1,0,0,0,0|1,1,0]=4 54 B5R0.3 O[C@@H](CF)CCl 26-408 [1,1,0,0,0,0|1,1,0]=4 55 B5R0.4 C#CC(C)(C)C 08-2086 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.4 CC(C)(O)C=O 025111S [1,1,0,0,0,0|0,1,1]=4 57 B7R0.2 CC(C)C[C@H](N)CO 024045 [0,1,0,0,0,1|1,0,0]=3 58 B7R0.2 CC(C)C[C@H](N)CO 04-1926 [0,1,0,0,0,1|1,0,0]=3 59 B7R0.10 CC[C@@H](C)[C@@H](N)CO 04-1851 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.10 CC[C@H](O)[C@H](N)CO 56-1309 [0,2,0,0,0,0|1,1,0]=4 61 B7R0.10 COC(=O)[C@H](C)OC CS-795 [0,2,0,0,0,0|0,1,1]=4 62 B7R0.10 OC[C@H](O)[C@@H](S)CS MB1015 [0,2,0,0,0,0|1,0,0]=3 63 B7R0.10 OC[C@H](O)[C@H](O)CO 024100 [0,2,0,0,0,0|1,1,0]=4 64 B7R0.10 O[C@H](CS)[C@@H](O)CS BIO-171 [0,2,0,0,0,0|1,1,0]=4 65 B7R0.15 COC(OC)[C@H](C)Br 08-2909 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.17 CC(C)(O)C(F)(F)F 09-2547 [0,2,0,0,0,0|2,0,0]=4 67 B5R1.2 BrC1COC1 08-3874 [1,0,0,1,0,0|1,1,0]=4 68 B5R1.2 CC1CNC1 08-5492 [1,0,0,1,0,0|1,0,0]=3 69 B5R1.2 ClC1CNC1 08-5066 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.2 ClC1COC1 08-7070 [1,0,0,1,0,0|1,1,0]=4 71 B5R1.2 FC1CNC1 08-3180 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.2 IC1COC1 08-3990 [1,0,0,1,0,0|1,1,0]=4 73 B5R1.2 NC1CNC1 08-2841 [1,0,0,1,0,0|2,0,0]=4 74 B5R1.2 NC1COC1 025941 [1,0,0,1,0,0|1,1,0]=4 75 B5R1.2 NC1COC1 08-3290 [1,0,0,1,0,0|1,1,0]=4 76 B5R1.2 NC1CSC1 08-5714 [1,0,0,1,0,0|1,0,0]=3 77 B5R1.2 O=C1CSC1 08-4092 [1,0,0,1,0,0|1,0,1]=4 78 B5R1.2 OC1CNC1 08-3985 [1,0,0,1,0,0|1,1,0]=4 79 B5R1.2 OC1COC1 08-4030 [1,0,0,1,0,0|1,1,0]=4 80 B5R1.2 SC1COC1 08-7827 [1,0,0,1,0,0|1,0,0]=3 81 B5R1.3 BrCC1CC1 08-1050 [1,0,0,1,0,0|1,0,0]=3 82 B5R1.3 CNC1CC1 08-10334 [1,0,0,1,0,0|1,0,0]=3 83 B5R1.3 CNC1CC1 08-5491 [1,0,0,1,0,0|1,0,0]=3 84 B5R1.3 NNC1CC1 08-9701 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.2 CN1CC[C@H](N)C1 024109 [0,0,0,1,0,1|2,0,0]=4 86 B7R1.2 CN1CC[C@H](N)C1 024126 [0,0,0,1,0,1|2,0,0]=4 87 B7R1.2 CN1CC[C@H](N)C1 08-5366 [0,0,0,1,0,1|2,0,0]=4 88 B7R1.2 CN1CC[C@H](N)C1 20-1840 [0,0,0,1,0,1|2,0,0]=4 89 B7R1.2 CN1CC[C@H](O)C1 024105 [0,0,0,1,0,1|1,1,0]=4 90 B7R1.2 CN1CC[C@H](O)C1 025079 [0,0,0,1,0,1|1,1,0]=4 91 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,0,0,1,0,1|1,1,0]=4 92 B7R1.2 NC1CCC(O)C1 08-6214 [0,0,0,1,0,1|1,1,0]=4 93 B7R1.4 O[C@H]1COC[C@H]1O 024464 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.17 C[C@@H]1OCC1(N)N 20-1815 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.18 CN(C)C1CNC1 08-7184 [0,1,0,1,0,0|2,0,0]=4 96 B7R0.6 CC(=O)OCC(C)C 025143S [0,0,0,0,0,2|0,1,1]=4