0 B6R0.1 CCC(C)CNC AC010501 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCC(C)CNC AC010533 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCCC(C)NC AC010486 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(C)NC AC010524 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(C)/C=N/O AC010411 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(N)CC#N AC120042 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(N)CCO AC511165 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CN(C)CCBr AC500092 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 CN(C)CCBr LN00009696 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CN(C)NC=O AC021455 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 C[C@@H](O)CCO AC500114 [1,0,0,0,0,0|0,1,2]=4 11 B5R0.1 C[C@H](N)CCO AC512035 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.2 BrCCCC=C AC500173 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 CNCCCO AC510766 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 COCCNN LN00005546 [1,0,0,0,0,0|2,1,0]=4 15 B5R0.3 BrC(C=O)C=O AC181018 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 COC1CCNC1 LN00159339 [0,0,0,1,0,0|1,1,1]=4 19 B7R1.1 OCC1CC=CC1 AC181767 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 C1[C@H](COC1=O)N LN00239300 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 O=C1CCC(=O)C1 AC170075 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 CC1CNCCO1 AC182283 [0,0,0,1,0,0|2,1,0]=4 25 B7R1.3 CC1CNCCO1 LN00002207 [0,0,0,1,0,0|2,1,0]=4 26 B7R1.3 CC1COCCN1 LN00001061 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [0,0,0,1,0,0|2,1,0]=4 28 B7R1.3 C[C@@H]1COCCN1 AC182578 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.3 C[C@H]1CNCCO1 LN00221210 [0,0,0,1,0,0|2,1,0]=4 30 B7R1.3 C[C@H]1COCCN1 AC020353 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 C[C@H]1COCCN1 LN00009351 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.10 O=C1CC(C1)C#N AC200074 [0,0,0,1,0,0|2,0,0]=3 33 B4R0.1 CC(C)NN AC130058 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC(C)ON AC511892 [2,0,0,0,0,0|1,1,0]=4 35 B4R0.1 CC(N)CO AC510879 [2,0,0,0,0,0|1,0,1]=4 36 B4R0.1 CNN(C)C AC021456 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 C[C@@H](O)CN AC180581 [2,0,0,0,0,0|1,1,0]=4 38 B4R0.1 C[C@H](N)CO AC511021 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.2 CNCCN AC182659 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 CNCCO AC500171 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.2 CC(C)CB(O)O AC090213 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.2 CC(C)CB(O)O LN00119640 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,1,0,0,0,0|0,0,0]=2 44 B6R0.2 CN(C)CC(O)=O AC130146 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.2 CN(C)CC(O)=O AC130178 [1,1,0,0,0,0|1,0,0]=3 46 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.2 C[C@H](N)CC(O)=O AC130275 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.3 CC(C)[C@@H](N)CO AC180576 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.3 CC(C)[C@H](N)CO AC510687 [1,1,0,0,0,0|0,0,2]=4 50 B6R0.3 CNC(C)C(C)C AC010479 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 CNC(C)C(C)C AC010530 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 CC(C)CCCO AC510897 [1,1,0,0,0,0|0,0,2]=4 53 B6R0.4 CC(C)OCCBr AC512105 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.4 CN(C)/C=C/C=O AC021056 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 CNCCC(C)C AC010487 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 CNCCC(C)C AC010537 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.5 CC(C)(C)CCBr AC020699 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.5 CNCC(C)(C)C AC010541 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.5 CNCC(C)(C)C AC010542 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.6 ClCCCCC=O AC511901 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.6 OCCCCC=O AC511239 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.8 CCC(C)(C)NC AC010546 [1,1,0,0,0,0|1,0,1]=4 63 B6R0.8 CCC(C)(C)NC AC010547 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.9 CCC(CC)NC AC010476 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.9 CCC(CC)NC AC010527 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.9 COC(CBr)OC AC510940 [1,1,0,0,0,0|1,1,0]=4 67 B8R0.2 CCC(C)C(N)C(O)=O AC510945 [0,2,0,0,0,0|1,0,0]=3 68 B8R0.2 CC[C@H](C)[C@@H](C(=N)O)N LN00239756 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01359931 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01364924 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.23 CC(C)[C@H](CC(=O)O)N LN00009939 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.23 CC(C)[C@H](CC(=O)O)N LN01366567 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.23 C[C@@H](CC(=O)O)C(=O)O LN01743142 [0,2,0,0,0,0|2,0,0]=4 74 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.2 OC1CC=CC1 AC181108 [1,0,0,1,0,0|1,1,0]=4 76 B6R1.3 O=CNC1CC1 AC021249 [1,0,0,1,0,0|1,0,0]=3 77 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [1,0,0,1,0,0|0,0,2]=4 79 B6R1.10 CC1(C)CNC1 AC182563 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.1 C1CC=CCO1 AC220033 [1,0,0,1,0,0|1,1,0]=4 81 B6R1.1 C1CC=CCS1 AC010335 [1,0,0,1,0,0|1,0,0]=3 82 B6R1.1 C1CSCCN1 AC500065 [1,0,0,1,0,0|2,0,0]=4 83 B6R1.1 C1CSCSC1 AC130234 [1,0,0,1,0,0|0,1,1]=4 84 B6R1.6 O=CC1CCC1 AC050499 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.7 CC1(CO)CC1 AC010371 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.1 BrCC1CCC(=O)O1 AC021454 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.1 BrC[C@@H]1CCC(=O)N1 AC020723 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.1 C=CC1COC(=O)C1 AC020673 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.1 OCC1CCC(=O)N1 AC160496 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,1,0,1,0,0|0,1,0]=3 94 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.34 OC(=O)CC1CCC1 AC050613 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.51 CC1(C)CCC(=O)C1 AC120015 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.3 NC1CCC(=O)CC1 AC511876 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.3 OC1CCC(=O)CC1 AC070138 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.3 OC1CCC(=O)NC1 AC050438 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.50 CN1C(O)CCC1=O AC050544 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.23 OC(=O)C1CC(=O)C1 AC130079 [0,1,0,1,0,0|2,0,0]=4