0 B5R0.2 CNCCC#N AC-77234 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 NCCCCBr AC-81002 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 O=CNNC=O AC-57355 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 CSCCN AC-56055 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CC(=O)CCCBr AC-77239 [0,1,0,0,0,0|1,0,1]=3 5 B6R0.4 CC(=O)CCCCl AC-35279 [0,1,0,0,0,0|1,0,1]=3 6 B6R0.4 CNCCC(C)=O AC-83135 [0,1,0,0,0,0|1,0,1]=3 7 B6R0.4 N#CCCC(=O)O AC-79263 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.4 NCCCC(=O)O AC-22540 [0,1,0,0,0,0|1,0,1]=3 9 B6R0.4 O=C(O)CCCBr AC-34557 [0,1,0,0,0,0|1,0,1]=3 10 B6R1.1 C1=CC=NN=C1 AC-77215 [0,0,0,1,0,0|3,0,0]=4 11 B6R1.2 BrC1=CC=CS1 AC-13542 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 BrC1=CC=NN1 AC-77336 [0,0,0,1,0,0|3,0,0]=4 13 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,1,0,0|1,0,1]=3 14 B6R1.2 BrC1=COC=C1 AC-76818 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 BrC1=CSC=C1 AC-13152 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 BrC1=NNC=C1 AC-25466 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 BrC1=NOC=C1 AC-44673 [0,0,0,1,0,0|3,0,0]=4 18 B6R1.2 BrC1=NSC=C1 AC-33995 [0,0,0,1,0,0|3,0,0]=4 19 B6R1.2 CC1=CC=CN1 AC-76876 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.2 CC1=CC=CS1 AC-13544 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 CC1=CC=NO1 AC-61136 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 CC1=CNC=C1 AC-31721 [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 CC1=CSC=C1 AC-13559 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 CC1=NCCC1 AC-76756 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.2 CC1=NNC=C1 AC-31436 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 CC1=NOC=C1 AC-79826 [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 ClC1=CC=NN1 AC-81136 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 ClC1=CSC=C1 AC-13557 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 FC1=CC=NN1 AC-88376 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 IC1=CC=CS1 AC-13543 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 IC1=CC=NN1 AC-77422 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.2 N=C1CCCN1 AC-43001 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 NC1=CC=CS1 AC-84538 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 NC1=CC=CS1 AC-87247 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 NC1=CC=NN1 AC-75921 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 NC1=CC=NO1 AC-30090 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 NC1=CC=NS1 AC-82048 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 NC1=COC=C1 AC-86478 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 NC1=CSC=C1 AC-46207 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 NC1=CSC=C1 AC-81635 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 NC1=NCCC1 AC-76909 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 NC1=NNC=C1 AC-12678 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 NC1=NOC=C1 AC-15172 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 O=C1CC=CC1 AC-37498 [0,0,0,1,0,0|0,0,2]=3 45 B6R1.2 O=C1CCNC1 AC-22267 [0,0,0,1,0,0|1,0,1]=3 46 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,1,0,0|1,0,1]=3 47 B6R1.2 O=C1CNCN1 AC-81166 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 O=C1NCCN1 AC-81031 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 O=C1NCCS1 AC-76781 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 O=C1OCCO1 AC-76852 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 OC1=CSC=C1 AC-80187 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 OC1=NNCC1 AC-50576 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.6 O=CC1COC1 AC-87999 [0,0,0,1,0,0|1,0,1]=3 54 B5R0.1 N#CCC(N)=O AC-76913 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.3 COC(=O)CCCN AC-34788 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.5 C#CC[C@@H](N)C(=O)O AC-63825 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.5 C=CC[C@H](N)C(=O)O AC-16624 [0,2,0,0,0,0|0,0,0]=2 60 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.5 NC(CCO)C(=O)O AC-65691 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.5 NCCC(N)C(=O)O AC-27327 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.4 C=CCNCC(=O)O AC-32135 [0,2,0,0,0,0|0,0,0]=2 67 B7R0.4 CC(=O)CCCCBr AC-77132 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.4 CNCCCC(=O)O AC-81313 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.6 CC(=O)NCC(=O)O AC-22388 [0,2,0,0,0,0|1,0,1]=4 70 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,1,0,0|1,0,1]=4 71 B5R1.1 C1=CNN=C1 AC-14505 [1,0,0,1,0,0|2,0,0]=4 72 B5R1.1 C1=COCC1 AC-74091 [1,0,0,1,0,0|0,0,1]=3 73 B5R1.1 C1=CSC=N1 AC-46193 [1,0,0,1,0,0|1,1,0]=4 74 B5R1.1 C1=C[CH-]C=C1 AC-74053 [1,0,0,1,0,0|0,0,2]=4 75 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 O=CC1=CC=CS1 AC-61053 [0,1,0,1,0,0|0,0,2]=4 77 B7R1.1 O=CC1=CC=NN1 AC-80397 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 O=CC1=CC=NO1 AC-42863 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.1 O=CC1=CCCC1 AC-80756 [0,1,0,1,0,0|0,0,1]=3 80 B7R1.1 O=CC1=CN=CS1 AC-21275 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 O=CC1=CNC=C1 AC-63694 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.1 O=CC1=COC=C1 AC-61908 [0,1,0,1,0,0|0,0,2]=4 83 B7R1.1 O=CC1=CSC=C1 AC-13155 [0,1,0,1,0,0|0,0,2]=4 84 B7R1.1 O=CC1=CSC=N1 AC-21274 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 O=CC1=NC=CN1 AC-20268 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.1 O=CC1=NC=CS1 AC-13531 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 O=CC1=NNC=C1 AC-40933 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.1 O=CC1=NNC=C1 AC-94677 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.1 O=CC1CCCO1 AC-31412 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.2 CC1=CC(=O)NN1 AC-13387 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.2 CN1C=CC(=O)N1 AC-82045 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.2 NC1=CC(=O)CC1 AC-76594 [0,1,0,1,0,0|0,0,0]=2 96 B7R1.2 NC1=CC(=O)CS1 AC-86021 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.2 NC1=CC(=O)NN1 AC-76578 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.2 NC1=NC(=O)CS1 AC-90973 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,1,0,1,0,0|0,0,2]=4 100 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,1,0,1,0,0|0,0,2]=4 101 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.2 O=C1C=C(Cl)SN1 AC-72177 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,1,0,1,0,0|0,0,0]=2 105 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.2 O=C1C=CC(Br)O1 AC-95636 [0,1,0,1,0,0|1,0,0]=3 107 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.2 O=C1CSC(=O)N1 AC-13374 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.3 BrC1=CCOCC1 AC-71793 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.3 N[N+]1=CC[N-]C=C1 AC-84289 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1C=CCCN1 AC-80994 [0,1,0,1,0,0|0,0,0]=2 113 B7R1.3 O=C1C=CN=CN1 AC-24037 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.3 O=C1C=CNN=C1 AC-88675 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.3 O=C1C=COC=C1 AC-87397 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.3 O=C1CCNCC1 AC-76761 [0,1,0,1,0,0|0,0,2]=4 117 B7R1.3 O=C1CCOCC1 AC-15730 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.4 BrC1=C(Br)CCC1 AC-20278 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,1,0,0|0,0,2]=4 120 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,1,0,0|0,0,2]=4 121 B7R1.4 NC1CCNC1=O AC-56337 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.4 NC1CCNC1=O AC-84054 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.4 NC1CONC1=O AC-79375 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.4 O=C1CCC=C1O AC-79761 [0,1,0,1,0,0|0,0,0]=2 128 B7R1.4 O=C1CCNC1=O AC-91977 [0,1,0,1,0,0|1,0,0]=3 129 B7R1.4 O=C1NCCC1Br AC-76660 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.4 O=C1OCC=C1Br AC-89416 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.10 C=C1CC(C#N)C1 AC-42471 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.10 N#CC1CC(=O)C1 AC-37976 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.10 O=C1CC(CBr)C1 AC-82042 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.10 O=C1CC(CO)C1 AC-81896 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.12 CC1CC1C(N)=O AC-91394 [0,1,0,1,0,0|0,0,2]=4 138 B7R1.14 O=S1(=O)C=CCO1 AC-77381 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.18 NC(=O)C1CCC1 AC-71954 [0,1,0,1,0,0|0,0,2]=4 140 B7R1.18 NC(=O)C1CCN1 AC-59671 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.18 O=C(O)C1CCC1 AC-11357 [0,1,0,1,0,0|0,0,2]=4 142 B7R1.18 O=C(O)C1CCO1 AC-40084 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.18 O=C(O)C1CNC1 AC-16023 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.18 O=C(O)C1COC1 AC-40085 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.20 O=C(O)CC1CC1 AC-15568 [0,1,0,1,0,0|0,0,2]=4