0 B4R0.1 CC(=O)NN AC-24092 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CC(=O)NO AC-13161 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 CCC(O)O AC-11575 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 CCC(O)O AC-11576 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 CNC(N)=S AC-31942 [0,0,0,0,0,0|2,1,1]=4 5 B4R0.1 C[C@H](N)CN AC-75237 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 C[C@H](N)CO AC-14576 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 NC(=O)CBr AC-13350 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 NCC(N)=O AC-16143 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 NCC(N)=O AC-65789 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 O=C(O)CO AC-77042 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.1 N#CCN AC-22471 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C[C@@H](N)CCO AC-68296 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.3 CCC(N)CO AC-76788 [0,1,0,0,0,0|1,0,0]=2 14 B5R0.3 NCC(O)CO AC-15144 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.3 NC[C@@H](O)CO AC-12808 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.3 NC[C@H](O)CO AC-74173 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.4 CC(C)(N)C#N AC-76966 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.4 CCS(N)(=O)=O AC-76829 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.4 CNS(=O)(=O)O AC-93774 [0,1,0,0,0,0|3,0,0]=4 21 B5R0.4 CNS(C)(=O)=O AC-60010 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.5 CC(C)B(O)O AC-75312 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.5 CC(S)C(=O)O AC-65008 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,1,0,0,0,0|1,0,2]=4 25 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.5 O=C(O)C(F)F AC-18400 [0,1,0,0,0,0|2,0,1]=4 28 B5R1.2 BrC1CNC1 AC-70718 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.2 CC1CNC1 AC-70645 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.2 ClC1CNC1 AC-70638 [0,0,0,1,0,0|2,0,0]=3 31 B5R1.2 FC1CNC1 AC-39080 [0,0,0,1,0,0|2,0,0]=3 32 B5R1.2 NC1CCC1 AC-60987 [0,0,0,1,0,0|1,0,0]=2 33 B5R1.2 NC1CNC1 AC-39028 [0,0,0,1,0,0|2,0,0]=3 34 B5R1.2 NC1CNC1 AC-70603 [0,0,0,1,0,0|2,0,0]=3 35 B5R1.2 O=C1CSC1 AC-80488 [0,0,0,1,0,0|1,0,2]=4 36 B5R1.3 BrCC1CC1 AC-14412 [0,0,0,1,0,0|2,0,0]=3 37 B5R1.3 CNC1CC1 AC-37971 [0,0,0,1,0,0|2,0,0]=3 38 B5R1.3 ClCC1CC1 AC-37554 [0,0,0,1,0,0|2,0,0]=3 39 B5R1.3 N#CC1CC1 AC-10485 [0,0,0,1,0,0|2,0,1]=4 40 B5R1.3 NNC1CC1 AC-75900 [0,0,0,1,0,0|3,0,0]=4 41 B5R1.3 NNC1CC1 AC-75901 [0,0,0,1,0,0|3,0,0]=4 42 B5R1.3 NNC1CC1 AC-89330 [0,0,0,1,0,0|3,0,0]=4 43 B4R0.2 CNCC#N AC-61557 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.2 CSCCN AC-56055 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.1 CCOC(=O)CN AC-65788 [0,2,0,0,0,0|0,0,2]=4 46 B6R0.1 CCOC(=O)CO AC-76790 [0,2,0,0,0,0|0,0,2]=4 47 B6R0.1 COC(=O)CCS AC-74164 [0,2,0,0,0,0|0,0,2]=4 48 B6R0.1 N#CC[C@H](O)CCl AC-11571 [0,2,0,0,0,0|0,0,1]=3 49 B6R0.2 CC(C)CB(O)O AC-46050 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,2,0,0,0,0|0,0,1]=3 51 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,2,0,0,0,0|0,0,1]=3 52 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.3 CCC(C)B(O)O AC-75313 [0,2,0,0,0,0|0,0,0]=2 54 B6R0.3 CCC(N)C(=O)O AC-12704 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.3 CCC(N)C(=O)O AC-22541 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.3 CCC(N)C(N)=O AC-12931 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 COC(=O)C(C)N AC-10325 [0,2,0,0,0,0|0,0,2]=4 59 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,2,0,0,0,0|0,0,1]=3 60 B6R0.3 NC(CS)C(=O)O AC-27295 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.4 CC(=O)CCCBr AC-77239 [0,2,0,0,0,0|0,0,2]=4 65 B6R0.4 CC(=O)CCCCl AC-35279 [0,2,0,0,0,0|0,0,2]=4 66 B6R0.4 CCCCB(O)O AC-11281 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.4 CN(C)CCCCl AC-23395 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.4 CNCCC(C)=O AC-83135 [0,2,0,0,0,0|0,0,2]=4 69 B6R0.4 N#CCCC(=O)O AC-79263 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.4 NCCCC(=O)O AC-22540 [0,2,0,0,0,0|1,0,1]=4 71 B6R0.4 O=C(O)CCCBr AC-34557 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.5 CS(=O)(=O)CCN AC-43009 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.5 NCCC(F)(F)F AC-43008 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.7 CC(C)(Br)C(=O)O AC-13633 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.7 CC(C)(N)C(=O)O AC-22698 [0,2,0,0,0,0|1,0,1]=4 76 B4R1.2 BrC1CC1 AC-17947 [1,0,0,1,0,0|1,0,0]=3 77 B4R1.2 C[C@@H]1CO1 AC-13228 [1,0,0,1,0,0|0,0,0]=2 78 B4R1.2 C[C@H]1CO1 AC-13231 [1,0,0,1,0,0|0,0,0]=2 79 B6R1.2 BrC1=CCCC1 AC-37861 [0,1,0,1,0,0|1,0,1]=4 80 B6R1.2 BrC1CCNC1 AC-83481 [0,1,0,1,0,0|1,0,0]=3 81 B6R1.2 CC1=NCCC1 AC-76756 [0,1,0,1,0,0|1,0,1]=4 82 B6R1.2 CC1=NCCO1 AC-82993 [0,1,0,1,0,0|0,0,1]=3 83 B6R1.2 CC1CC=NN1 AC-87752 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.2 CC1CCCN1 AC-44592 [0,1,0,1,0,0|1,0,0]=3 85 B6R1.2 CC1CCNC1 AC-41388 [0,1,0,1,0,0|1,0,0]=3 86 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,1,0,1,0,0|1,0,0]=3 87 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.2 FC1CCNC1 AC-80571 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.2 IC1CCOC1 AC-43302 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.2 N=C1CCCN1 AC-43001 [0,1,0,1,0,0|1,0,1]=4 93 B6R1.2 NC1=NCCC1 AC-76909 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.2 NC1CC=CC1 AC-79830 [0,1,0,1,0,0|1,0,1]=4 95 B6R1.2 NC1CCOC1 AC-32068 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.2 NC1CCOC1 AC-77272 [0,1,0,1,0,0|1,0,0]=3 97 B6R1.2 NN1CCCC1 AC-16612 [0,1,0,1,0,0|2,0,0]=4 98 B6R1.2 NN1CCCC1 AC-32619 [0,1,0,1,0,0|2,0,0]=4 99 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.2 O=C1CCNC1 AC-22267 [0,1,0,1,0,0|0,0,2]=4 102 B6R1.2 O=C1CCOC1 AC-39237 [0,1,0,1,0,0|0,0,2]=4 103 B6R1.2 O=C1OCCO1 AC-76852 [0,1,0,1,0,0|1,0,1]=4 104 B6R1.2 OC1=NNCC1 AC-50576 [0,1,0,1,0,0|1,0,1]=4 105 B6R1.2 OC1CCOC1 AC-17899 [0,1,0,1,0,0|0,0,0]=2 106 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,1,0,1,0,0|0,0,0]=2 107 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,1,0,1,0,0|0,0,0]=2 108 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,1,0,1,0,0|0,0,0]=2 109 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,1,0,1,0,0|0,0,0]=2 110 B6R1.3 BrCCC1CC1 AC-71739 [0,1,0,1,0,0|1,0,0]=3 111 B6R1.3 CNCC1CC1 AC-44560 [0,1,0,1,0,0|1,0,0]=3 112 B6R1.3 ICCC1CC1 AC-87442 [0,1,0,1,0,0|1,0,0]=3 113 B6R1.3 NNCC1CC1 AC-75755 [0,1,0,1,0,0|2,0,0]=4 114 B6R1.5 CN1CC(O)C1 AC-70584 [0,1,0,1,0,0|0,0,0]=2 115 B6R1.10 CC1(N)CCC1 AC-58834 [0,1,0,1,0,0|1,0,0]=3 116 B6R1.10 CC1(N)COC1 AC-40072 [0,1,0,1,0,0|1,0,0]=3 117 B6R1.10 CC1(N)CSC1 AC-81990 [0,1,0,1,0,0|1,0,0]=3 118 B6R1.10 FC1(F)COC1 AC-96392 [0,1,0,1,0,0|2,0,0]=4 119 B6R1.11 CC(N)C1CC1 AC-43331 [0,1,0,1,0,0|1,0,0]=3 120 B6R1.11 CC(N)C1CC1 AC-72240 [0,1,0,1,0,0|1,0,0]=3 121 B6R1.11 O=C(O)C1CC1 AC-37568 [0,1,0,1,0,0|1,0,1]=4 122 B6R1.11 OB(O)C1CC1 AC-37891 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.6 COC1CNC1 AC-70583 [0,1,0,1,0,0|1,0,0]=3 124 B6R1.6 NCC1CCN1 AC-59672 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.6 NCC1COC1 AC-40088 [0,1,0,1,0,0|1,0,0]=3 126 B6R1.6 NNC1COC1 AC-87054 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.6 O=CC1COC1 AC-87999 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.6 OCC1CCO1 AC-27493 [0,1,0,1,0,0|0,0,0]=2 129 B6R1.6 OCC1CNC1 AC-39034 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.7 C#CC1(N)CC1 AC-88642 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.7 NCC1(N)CC1 AC-92348 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.7 OCC1(F)CC1 AC-93892 [0,1,0,1,0,0|1,0,0]=3