0 B5R0.3 CCC(N)CO AC-76788 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 NCC(O)CO AC-15144 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 NC[C@@H](O)CO AC-12808 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.3 NC[C@H](O)CO AC-74173 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 CC(=O)NO AC-13161 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CCC(O)O AC-11575 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CCC(O)O AC-11576 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 C[C@H](N)CN AC-75237 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C[C@H](N)CO AC-14576 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 O=C(O)CO AC-77042 [1,0,0,0,0,0|0,0,2]=3 11 B4R0.2 CSCCN AC-56055 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCOC(=O)CO AC-76790 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 N#CC[C@H](O)CCl AC-11571 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CCC(C)B(O)O AC-75313 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.3 CCC(N)C(=O)O AC-12704 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.3 CCC(N)C(=O)O AC-22541 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 NC(CS)C(=O)O AC-27295 [0,1,0,0,0,0|1,1,1]=4 19 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 BrC1CCNC1 AC-83481 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 CC1CCNC1 AC-41388 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 FC1CCNC1 AC-80571 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 IC1CCOC1 AC-43302 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 NC1CC=CC1 AC-79830 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 NC1CCOC1 AC-32068 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 NC1CCOC1 AC-77272 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,1,0,0|1,0,2]=4 33 B6R1.2 OC1CCOC1 AC-17899 [0,0,0,1,0,0|1,0,0]=2 34 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,0,0,1,0,0|2,0,0]=3 36 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,0,0,1,0,0|1,0,0]=2 38 B6R1.6 NCC1CCN1 AC-59672 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.6 NCC1COC1 AC-40088 [0,0,0,1,0,0|2,0,0]=3 40 B6R1.6 NNC1COC1 AC-87054 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.6 O=CC1COC1 AC-87999 [0,0,0,1,0,0|1,0,2]=4 42 B6R1.6 OCC1CCO1 AC-27493 [0,0,0,1,0,0|1,0,0]=2 43 B6R1.6 OCC1CNC1 AC-39034 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.7 NCC1(N)CC1 AC-92348 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.7 OCC1(F)CC1 AC-93892 [0,0,0,1,0,0|2,0,0]=3 46 B5R0.1 C[C@@H](N)CCO AC-68296 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.5 CC(C)B(O)O AC-75312 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 CC(S)C(=O)O AC-65008 [1,1,0,0,0,0|0,1,1]=4 49 B5R0.5 C[C@H](N)C(=O)O AC-77155 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.2 NCCCCBr AC-81002 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.2 CN(C)CC(O)CO AC-28373 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,2,0,0,0,0|1,0,0]=3 54 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.5 NC(CCO)C(=O)O AC-65691 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.7 COCC(N)COC AC-32105 [0,2,0,0,0,0|1,0,0]=3 60 B7R0.10 CCC(C)C(N)CO AC-57968 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(=O)C(N)CO AC-16201 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.13 OCC(F)(F)C(F)F AC-13929 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-11380 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.18 CCC(N)(CO)CO AC-22646 [0,2,0,0,0,0|1,0,0]=3 66 B5R1.2 BrC1CNC1 AC-70718 [1,0,0,1,0,0|2,0,0]=4 67 B5R1.2 CC1CNC1 AC-70645 [1,0,0,1,0,0|2,0,0]=4 68 B5R1.2 ClC1CNC1 AC-70638 [1,0,0,1,0,0|2,0,0]=4 69 B5R1.2 FC1CNC1 AC-39080 [1,0,0,1,0,0|2,0,0]=4 70 B5R1.2 NC1CCC1 AC-60987 [1,0,0,1,0,0|2,0,0]=4 71 B5R1.2 NC1CNC1 AC-39028 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.2 NC1CNC1 AC-70603 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.3 BrCC1CC1 AC-14412 [1,0,0,1,0,0|2,0,0]=4 74 B5R1.3 ClCC1CC1 AC-37554 [1,0,0,1,0,0|2,0,0]=4 75 B5R1.1 C1=COCC1 AC-74091 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 BrCC1OCCO1 AC-76845 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.1 CNC1CCOC1 AC-87875 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 N#CC1CCOC1 AC-44958 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.1 NNC1CCOC1 AC-92184 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.1 NNC1CCOC1 AC-95290 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.1 OCC1CCCN1 AC-57969 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.1 OCC1CCNC1 AC-42224 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.1 OCC1COCO1 AC-89617 [0,1,0,1,0,0|0,0,0]=2 86 B7R1.1 OCC1OCCO1 AC-93064 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.2 CN1CCC(O)C1 AC-44686 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.2 NN1CCC(O)C1 AC-85305 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.3 ClC1CCOCC1 AC-93376 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.3 OC1CCCNC1 AC-13470 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.3 OC1CCCOC1 AC-43113 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.3 OC1CCNCC1 AC-11055 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.3 OC1CCOCC1 AC-40767 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.3 OC1CCSCC1 AC-55374 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.3 O[C@H]1CCCNC1 AC-10547 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.4 NC1CCCC1O AC-74003 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.4 NC1CCCC1O AC-94382 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.6 OCCC1CCC1 AC-84374 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.9 N#CC1CC1CO AC-94243 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.10 O=C1CC(CO)C1 AC-81896 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.10 OCC1CC(Cl)C1 AC-84181 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.25 CC1(CBr)COC1 AC-70504 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.25 CC1(CO)COC1 AC-20171 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.25 CCC1(O)CNC1 AC-39077 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.25 NC1(CO)CCC1 AC-94564 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.25 NCC1(O)CCC1 AC-81048 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.25 NCC1(O)COC1 AC-93856 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.25 OCC1(F)COC1 AC-70531 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.18 CC(O)C1CCC1 AC-80542 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.18 O=C(O)C1CCO1 AC-40084 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.18 O=C(O)C1COC1 AC-40085 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.19 O=C(O)C1(O)CC1 AC-45126 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.14 CC1(O)CCCC1 AC-37946 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.14 CC1(O)CCNC1 AC-89720 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.29 N#CC1(CO)CC1 AC-54460 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.29 OCC1(CF)CC1 AC-42211 [0,1,0,1,0,0|2,0,0]=4 131 B7R2.13 C1OCC2OC12 AC-18679 [0,0,0,2,0,0|1,0,0]=3