0 B6R0.1 CCCC(=O)NN AC-19259 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCOC(=O)CN AC-65788 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCOC(=O)CO AC-76790 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCOC(=O)NN AC-12613 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CNC(=O)CC#N AC-41874 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 COC(=O)CCS AC-74164 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 COCC(=O)NN AC-48684 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.1 N#CCC(N)=O AC-76913 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.3 COC(=O)CCCN AC-34788 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.7 CCCC(=O)OCCl AC-74037 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.7 CCCC(=S)OCC AC-29188 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.7 CCNC(=O)CC#N AC-86685 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.7 CCOC(=O)CCN AC-28868 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.7 CCOC(=O)CCS AC-74165 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.7 CCOC(=O)CNC AC-66254 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.7 CCOC(=O)CNN AC-53410 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.7 COCC(N)COC AC-32105 [0,1,0,0,0,0|1,1,1]=4 22 B7R0.10 C=C(CBr)C(=O)OC AC-13327 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.10 COC(=O)C(N)CO AC-16201 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 CC1=NNC(=O)C1 AC-31598 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 CC1CNCCO1 AC-39793 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 O=C1C=CCCN1 AC-80994 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 O=C1CCNCC1 AC-76761 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.3 O=C1CCOCC1 AC-15730 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.4 CC1CCNC1=O AC-80276 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.4 CC1OCCC1=O AC-16100 [0,0,0,1,0,0|3,0,0]=4 48 B4R0.1 CC(=O)NN AC-24092 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(=O)NO AC-13161 [2,0,0,0,0,0|1,1,0]=4 50 B4R0.1 CCC(O)O AC-11575 [2,0,0,0,0,0|0,0,2]=4 51 B4R0.1 CCC(O)O AC-11576 [2,0,0,0,0,0|0,0,2]=4 52 B4R0.1 NC(=O)CBr AC-13350 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 NCC(N)=O AC-16143 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 NCC(N)=O AC-65789 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 O=C(O)CO AC-77042 [2,0,0,0,0,0|0,1,0]=3 56 B4R0.2 CSCCN AC-56055 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.3 CCC(N)C(=O)O AC-12704 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.3 CCC(N)C(=O)O AC-22541 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.3 CCC(N)C(N)=O AC-12931 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.3 NC(CS)C(=O)O AC-27295 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 CC(=O)CCCBr AC-77239 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.4 CC(=O)CCCCl AC-35279 [1,1,0,0,0,0|1,0,0]=3 70 B6R0.4 CNCCC(C)=O AC-83135 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.4 N#CCCC(=O)O AC-79263 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.4 NCCCC(=O)O AC-22540 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.4 O=C(O)CCCBr AC-34557 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.2 COC(=O)C(N)C(C)O AC-76945 [0,2,0,0,0,0|1,0,0]=3 75 B8R0.2 COC(=O)[C@H](N)C(C)C AC-32040 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.5 CC(C)OC(=O)OCCl AC-20165 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.5 CCOC(=O)CC(=N)N AC-45365 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.5 CCOC(=O)CC(C)O AC-66322 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.5 CCOC(=O)\C=C(\C)N AC-76862 [0,2,0,0,0,0|1,0,1]=4 82 B8R0.19 CCC(=O)CC(=O)OC AC-13288 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.19 COC(=O)C[C@@H](O)CCl AC-20202 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.1 CCOC(=O)\C=C\CBr AC-13666 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.3 CCOC(=O)C(Br)CBr AC-59977 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.3 CCOC(=O)C(C)C#N AC-72283 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.3 CCOC(=O)C(N)CO AC-86715 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.3 CCOC(=O)[C@@H](N)CO AC-61555 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.3 CCOC(=O)[C@@H](N)CS AC-17047 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.3 CCOC(=O)[C@H](N)CO AC-76786 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.13 COC(=O)C(C)(C)C#N AC-73185 [0,2,0,0,0,0|2,0,0]=4 92 B6R1.2 CC1=NCCC1 AC-76756 [1,0,0,1,0,0|2,0,0]=4 93 B6R1.2 O=C1CC=CC1 AC-37498 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.2 O=C1CCNC1 AC-22267 [1,0,0,1,0,0|1,0,0]=3 95 B6R1.2 O=C1CCOC1 AC-39237 [1,0,0,1,0,0|0,1,0]=3 96 B6R1.2 O=C1CNCN1 AC-81166 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 O=C1OCCO1 AC-76852 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.10 CC1(N)CSC1 AC-81990 [1,0,0,1,0,0|1,0,1]=4 99 B6R1.11 NC(=O)C1CC1 AC-35037 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.11 O=C(O)C1CC1 AC-37568 [1,0,0,1,0,0|1,0,0]=3 101 B6R1.1 C1CSCCN1 AC-86787 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.6 COC1CNC1 AC-70583 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.1 CCN1CCC(=O)C1 AC-96216 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 O=C1C=C(CBr)CO1 AC-39233 [0,1,0,1,0,0|1,0,1]=4 105 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.4 CC1CNCC(=O)N1 AC-41442 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.4 CN1CCCC(=O)C1 AC-84159 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.4 CN1CCOC(=O)C1 AC-91581 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.4 NC1CCNC(=O)C1 AC-24692 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.4 NC1CCNC(=O)C1 AC-80838 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.4 O=C1CC(O)CCN1 AC-65410 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.18 CC1=C(C)OC(=O)O1 AC-13848 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.18 CC1=CC(=O)OC1O AC-14034 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.18 CN1CC(N)CC1=O AC-90779 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.2 O=CC1=CCCOC1 AC-28131 [0,1,0,1,0,0|1,1,0]=4 118 B8R1.2 O=CC1CCCCO1 AC-93347 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.5 CC1COCCC1=O AC-71971 [0,1,0,1,0,0|1,1,0]=4 122 B8R1.5 CC1CSCCC1=O AC-88127 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.5 CC1NCCCC1=O AC-91259 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.5 CC1NCCNC1=O AC-43070 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.5 CN1CCNCC1=O AC-31378 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.5 O=C1CCCCC1=O AC-75172 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.5 O=C1NCCCC1Br AC-80099 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.5 O=C1NCCCC1O AC-80821 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.5 O=C1OCCCC1Br AC-91315 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.5 O=C1OCCCC1O AC-79460 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.22 O=C1CCCCNC1 AC-81448 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.38 COC(=O)C1CCC1 AC-56656 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.38 COC(=O)C1CNC1 AC-95063 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.50 CC1CCN(C)C1=O AC-28575 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.50 O=C1COC(=O)C1Br AC-87590 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.19 CC1(C)CCCC1=O AC-92916 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.39 COC(=O)C1(Br)CC1 AC-77050 [0,1,0,1,0,0|1,0,0]=3