0 B7R0.10 C=C(CBr)C(=O)OC AC-13327 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.10 COC(=O)C(N)CO AC-16201 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.10 CON(C)C(=O)CCl AC-35202 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCCC(=O)NN AC-19259 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCOC(=O)CN AC-65788 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(=O)CO AC-76790 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCOC(=O)NN AC-12613 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COC(=O)CCS AC-74164 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 CCC(N)C(=O)O AC-12704 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CCC(N)C(=O)O AC-22541 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CCC(N)C(N)=O AC-12931 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CN(C)C(=O)CN AC-80965 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 COC(=O)C(C)N AC-10325 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 COC(=O)[C@H](C)O AC-16717 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 O=C(O)C(=O)CBr AC-66963 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.2 COC(=O)C(N)C(C)O AC-76945 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.2 COC(=O)[C@H](N)C(C)C AC-32040 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.3 CCOC(=O)C(=O)NN AC-76828 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.3 CCOC(=O)C(Br)CBr AC-59977 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.3 CCOC(=O)C(N)CO AC-86715 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.3 CCOC(=O)[C@@H](N)CO AC-61555 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.3 CCOC(=O)[C@@H](N)CS AC-17047 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.3 CCOC(=O)[C@H](N)CO AC-76786 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 CCOC(=O)\C(Cl)=N\O AC-77069 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.3 CCOC(=O)\C(N)=N\O AC-43197 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.5 CC1COCCC1=O AC-71971 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.5 CC1CSCCC1=O AC-88127 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 CC1NCCCC1=O AC-91259 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 CN1CCNCC1=O AC-31378 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.5 O=C1CCCCC1=O AC-75172 [0,0,0,1,0,0|0,0,0]=1 35 B8R1.5 O=C1CCOCC1F AC-40744 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 O=C1NCCCC1Br AC-80099 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 O=C1NCCCC1O AC-80821 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.5 O=C1OCCCC1Br AC-91315 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.5 O=C1OCCCC1O AC-79460 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.38 COC(=O)C1CCC1 AC-56656 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.38 O=C(CBr)N1CCC1 AC-39096 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.39 COC(=O)C1(Br)CC1 AC-77050 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.39 O=C(CCl)C1(Cl)CC1 AC-90821 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.50 CC1CCC(=O)C1=O AC-13924 [0,0,0,1,0,0|0,0,0]=1 45 B8R1.50 CC1CCC(=O)C1=O AC-95075 [0,0,0,1,0,0|0,0,0]=1 46 B8R1.50 CC1CCC(=O)C1=O AC-96413 [0,0,0,1,0,0|0,0,0]=1 47 B8R1.50 CC1CCN(C)C1=O AC-28575 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.50 CN1CCN(C)C1=O AC-14067 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.50 NC1CCN(O)C1=O AC-87345 [0,0,0,1,0,0|2,0,1]=4 50 B8R0.19 CCC(=O)CC(=O)OC AC-13288 [0,0,0,0,0,1|1,0,0]=2 51 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.3 COC(=O)CCCN AC-34788 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCOC(=O)C(F)F AC-20217 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.7 CCCC(=O)OCCl AC-74037 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.7 CCCC(=S)OCC AC-29188 [1,1,0,0,0,0|0,1,1]=4 60 B7R0.7 CCNC(=O)CC#N AC-86685 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.7 CCOC(=O)CCN AC-28868 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.7 CCOC(=O)CCS AC-74165 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.7 CCOC(=O)CNC AC-66254 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.7 CCOC(=O)CNN AC-53410 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.16 CN(C)C(=O)C(=O)O AC-28511 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.27 COC(=O)C(Cl)C(=O)OC AC-74035 [0,1,0,0,0,1|2,0,0]=4 67 B9R0.27 COC(=O)C(F)C(=O)OC AC-18603 [0,1,0,0,0,1|2,0,0]=4 68 B9R0.34 CCCC(=O)CC(=O)OC AC-61158 [0,1,0,0,0,1|1,0,0]=3 69 B9R0.34 CCOC(=O)CC(=O)CBr AC-28913 [0,1,0,0,0,1|1,0,0]=3 70 B9R0.42 CCC(=O)OC(Cl)C(C)C AC-77503 [0,1,0,0,0,1|1,0,1]=4 71 B9R0.42 COC(=O)CC(=O)C(C)C AC-46045 [0,1,0,0,0,1|1,0,0]=3 72 B9R0.6 CCOC(=O)C(Br)C(C)C AC-13664 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.35 CCOC(=N)C(=O)OCC AC-79541 [0,2,0,0,0,0|1,0,0]=3 74 B7R1.2 CC1=CC(=O)CO1 AC-85907 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.2 CC1CNC(=O)C1 AC-86644 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.2 CN1CCC(=O)C1 AC-31742 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.2 NC1=CC(=O)CC1 AC-76594 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 NC1CCC(=O)C1 AC-82061 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.2 NC1CCC(=O)C1 AC-84406 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.2 O=C1C=C(O)CC1 AC-53397 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.3 BrC1=CCOCC1 AC-71793 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 O=C1C=CCCN1 AC-80994 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.3 O=C1CCNCC1 AC-76761 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.3 O=C1CCOCC1 AC-15730 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.4 CC1CCNC1=O AC-80276 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.4 CC1OCCC1=O AC-16100 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.4 NC1CCNC1=O AC-56337 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 NC1CCNC1=O AC-84054 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 N[C@H]1CCOC1=O AC-59650 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.4 N[C@H]1CCSC1=O AC-80263 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 O=C1NCCC1Br AC-76660 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.4 O=C1NCC[C@H]1O AC-75580 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.21 CCC1=CC=C(CC)N1 AC-95569 [0,0,0,1,0,1|2,0,0]=4 96 B9R1.21 CCC1=CC=C(CC)S1 AC-96382 [0,0,0,1,0,1|2,0,0]=4 97 B9R1.37 CC1C(=O)CC(=O)N1C AC-75829 [0,0,0,1,0,1|1,0,0]=3 98 B9R1.69 CC1CNC(=O)CC1=O AC-80082 [0,0,0,1,0,1|1,0,0]=3 99 B9R1.69 O=C1CCC(Br)C(=O)N1 AC-80847 [0,0,0,1,0,1|1,0,0]=3 100 B9R1.132 CCN1CCC(Br)C1=O AC-86256 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.132 CN1CCC(CO)C1=O AC-72597 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.138 CC1(C)COC(=O)C1=O AC-89613 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.5 CN1CCCCCC1=O AC-16737 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=CCCC1 AC-45375 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.15 CCC1CNCCC1=O AC-80623 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.15 CCC1CNCCC1=O AC-94984 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.15 N#CC1=C(N)CCCC1 AC-95813 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.15 N#CC1=C(O)CCCC1 AC-68439 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.15 N#CC1CCCCC1=O AC-16480 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.33 CCCN1CCCC1=O AC-85367 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.33 COCC1CCCC1=O AC-76116 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.33 NCCN1CCCC1=O AC-44866 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.33 NCCN1CCCC1=O AC-58203 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.33 O=C1CCCN1CCCl AC-42032 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.33 O=C1CCCN1CCO AC-56501 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.73 CCOC(=O)C1CCC1 AC-66389 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.74 CCOC(=O)C1(Br)CC1 AC-91884 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.74 CCOC(=O)C1(C)CC1 AC-81106 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.40 CC1(C)CCCCC1=O AC-42927 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.14 CCC1=CNC=C1CC AC-76541 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.27 CCC1=C(C)CNC1=O AC-11714 [0,1,0,1,0,0|2,0,0]=4