0 B8R1.7 CC(=O)C1=CC=CN1 OR21519 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.7 CC(=O)C1=CC=CO1 OR28745 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.7 CC(=O)C1=CC=CS1 OR10140 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.7 CC(=O)C1=CC=NN1 OR29765 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(=O)C1=CNC=C1 OR10314 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(=O)C1=COC=C1 OR16082 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 CC(=O)C1=CSC=C1 OR5739 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 CC(=O)C1=NC=CN1 OR313011 [0,0,0,0,0,0|1,0,2]=3 8 B8R1.7 CC(=O)C1=NC=CS1 OR4953 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.7 NC(=O)C1=CC=CS1 OR0041 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.7 NC(=O)C1=CSC=N1 OR59344 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 NC(=O)C1=NNC=N1 OR11322 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.7 O=C(Cl)C1=CC=CS1 OR23195 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 O=C(Cl)C1=CSC=N1 OR6374 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.7 O=C(Cl)C1=NC=CS1 OR0455 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 O=C(O)C1=CC=CS1 OR5057 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.7 O=C(O)C1=CN=CS1 OR5586 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 O=C(O)C1=CNN=N1 OR19545 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 O=C(O)C1=COC=N1 OR6277 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 O=C(O)C1=CSC=N1 OR7886 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 O=C(O)C1=CSN=N1 OR1294 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.7 O=C(O)C1=NC=CN1 OR30610 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 O=C(O)C1=NC=CS1 OR15912 [0,0,0,0,0,0|1,0,2]=3 25 B8R1.7 O=C(O)C1=NC=NN1 OR3176 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.7 O=C(O)C1=NNC=C1 OR14995 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.7 O=C(O)C1=NNC=N1 OR6340 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 O=C(O)C1=NOC=C1 OR16167 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.7 O=C(O)C1=NOC=N1 OR52319 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.7 O=C(O)C1=NON=C1 OR14346 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.7 O=C(O)C1=NSC=C1 OR40803 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.7 O=C(O)C1CCCC1 OR18358 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.7 O=C(O)C1CCCN1 OR350110 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.7 O=C(O)C1CCCO1 OR10057 [0,0,0,0,0,0|2,1,1]=4 35 B8R1.7 O=C(O)C1NCCS1 OR25449 [0,0,0,0,0,0|1,0,2]=3 36 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [0,0,0,0,0,0|2,1,1]=4 37 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.7 O=C([O-])C1=CC=CS1 OR6688 [0,0,0,0,0,0|2,0,2]=4 39 B8R1.7 O=C([O-])C1=NC=CO1 OR45140 [0,0,0,0,0,0|1,1,2]=4 40 B7R1.1 ClCC1=NCCN1 OR7709 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 NNC1=NCCN1 OR24108 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 NNC1=NCCN1 OR51941 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 O=CC1=CC=CS1 OR5053 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.1 O=CC1=CC=NS1 OR18559 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 O=CC1=CN=CS1 OR10588 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 O=CC1=CNC=N1 OR2743 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 O=CC1=COC=N1 OR12860 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 O=CC1=CSC=N1 OR13153 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 O=CC1=CSN=N1 OR8149 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 O=CC1=NC=CN1 OR0497 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 O=CC1=NC=CO1 OR14993 [1,0,0,0,0,0|0,1,2]=4 52 B7R1.1 O=CC1=NC=CS1 OR14343 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.1 O=CC1=NNC=C1 OR46247 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 O=CC1CCCC1 OR16978 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.11 COC(=O)C1=CC=CS1 OR30134 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.11 COC(=O)C1=CCCC1 OR1990 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.11 COC(=O)C1=CN=CS1 OR10553 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 COC(=O)C1=CNC=N1 OR30702 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.11 COC(=O)C1=CSC=N1 OR5602 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.11 COC(=O)C1=NNC=C1 OR110467 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 COC(=O)C1NCCS1 OR8944 [0,1,0,0,0,0|0,0,2]=3 62 B9R1.11 COC(=O)[C@@H]1CCCN1 OR11387 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.11 COC(=O)[C@H]1CCCN1 OR18616 [0,1,0,0,0,0|1,0,2]=4 64 B9R1.11 O=C(CBr)C1=CC=CS1 OR23196 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.11 O=C(CBr)C1=NC=CS1 OR2881 [0,1,0,0,0,0|0,0,2]=3 66 B9R1.11 O=C(CCl)C1=CC=CS1 OR30781 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.35 CC(=O)C1=CC(Br)=CS1 OR5412 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.35 CC(=O)C1=CC=C(C)S1 OR9799 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.35 CC(=O)C1=CC=C(Cl)S1 OR4686 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.35 CC(=O)C1=CN=C(N)S1 OR17530 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.35 CC(=O)C1=NN(C)C=C1 OR12628 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.35 CC1=CN=C(C(=O)O)S1 OR2597 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.35 CC1=CSC(C(=O)O)=N1 OR2596 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.35 O=C(O)C1=NC(Br)=CS1 OR301250 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.41 CC(=O)C1=C(Br)C=CS1 OR59805 [0,1,0,0,0,0|1,0,2]=4 76 B9R1.41 CC(=O)C1=C(Cl)C=CS1 OR15400 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.41 CC(=O)C1=C(N)C=CS1 OR2626 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.4 CC(=O)NCCCO OR26764 [0,0,1,0,0,0|2,1,0]=4 79 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,0,1,0,0,0|2,1,0]=4 80 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,0,1,0,0,0|2,1,0]=4 81 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,0,1,0,0,0|1,1,0]=3 82 B7R0.15 COC(OC)C(C)=O OR40044 [0,0,1,0,0,0|1,1,1]=4 83 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,0,0,0,1,0|2,0,1]=4 84 B7R1.18 O=C(O)C1CCC1 OR8888 [0,0,0,0,1,0|2,0,1]=4 85 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,0,0,0,1,0|1,0,2]=4 86 B9R1.6 CC(=O)C1=CC=CN=C1 OR5046 [0,0,0,0,0,1|1,0,2]=4 87 B9R1.6 CC(=O)C1=CN=CN=C1 OR30703 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.6 CC(=O)C1=NC=CC=C1 OR5045 [0,0,0,0,0,1|1,0,2]=4 89 B9R1.6 CC(=O)C1=NC=CC=N1 OR16083 [0,0,0,0,0,1|1,0,2]=4 90 B9R1.6 CC(=O)C1=NC=CN=C1 OR5593 [0,0,0,0,0,1|1,0,2]=4 91 B9R1.6 CC(=O)C1CCCCC1 OR2012 [0,0,0,0,0,1|2,0,1]=4 92 B9R1.6 CC(=O)C1CCOCC1 OR60176 [0,0,0,0,0,1|2,0,1]=4 93 B9R1.6 CC(=O)N1CCNCC1 OR5122 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.6 NC(=O)C1=CNCCC1 OR23567 [0,0,0,0,0,1|2,0,1]=4 95 B9R1.6 O=C(O)C1=COCCC1 OR303311 [0,0,0,0,0,1|2,1,0]=4 96 B9R1.6 O=C(O)C1CSCCN1 OR6324 [0,0,0,0,0,1|1,0,2]=4 97 B9R1.13 CC(=O)NC1=NC=CS1 OR3555 [0,0,0,0,0,1|0,0,2]=3 98 B6R0.4 CC(=O)CCCCl OR10086 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.4 CC(=O)NCCCl OR55006 [1,0,1,0,0,0|1,0,1]=4 100 B6R0.4 CC(=O)SCC#N OR24381 [1,0,1,0,0,0|0,0,2]=4 101 B6R0.4 CC(C)=CCCBr OR3008 [1,0,1,0,0,0|2,0,0]=4 102 B6R0.4 CCC=CC(=O)O OR6566 [1,0,1,0,0,0|2,0,0]=4 103 B6R0.4 CCCCC(C)=O OR10020 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.4 CCCOC(C)=O OR5312 [1,0,1,0,0,0|1,1,0]=4 105 B6R0.4 CO\C=C\C(C)=O OR52529 [1,0,1,0,0,0|2,0,0]=4 106 B6R0.6 CCC\C=C\C=O OR6052 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.1 CCOC(=O)C=O OR59968 [1,0,1,0,0,0|1,1,0]=4 108 B6R0.3 CC(=O)C(=O)CBr OR46042 [1,0,1,0,0,0|1,1,0]=4 109 B6R0.3 CC=C(C)C(C)=O OR0641 [1,0,1,0,0,0|1,0,0]=3 110 B6R0.3 CON(C)C(C)=O OR46610 [1,0,1,0,0,0|1,1,0]=4 111 B6R0.3 C\C=C(/C)C(=O)Cl OR55081 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.3 C\C=C(\C)C(=O)O OR28647 [1,0,1,0,0,0|2,0,0]=4 113 B6R1.2 CC1=NCCO1 OR52090 [2,0,0,0,0,0|0,1,0]=3 114 B6R1.2 NC1=NCCS1 OR3199 [2,0,0,0,0,0|1,0,0]=3 115 B6R1.2 O=C1CCCC1 OR10095 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.3 CCOC(=O)C(=O)CBr OR015293 [0,1,1,0,0,0|1,1,0]=4 117 B8R1.1 CC1=CN=C(C=O)S1 OR2494 [1,1,0,0,0,0|0,0,2]=4 118 B8R1.1 CC1=CSC(C=O)=N1 OR2495 [1,1,0,0,0,0|0,0,2]=4 119 B8R1.1 CSC1=NC(=O)CS1 OR311155 [1,1,0,0,0,0|1,0,1]=4 120 B8R1.1 O=CC1=NC(Br)=CS1 OR3275 [1,1,0,0,0,0|0,0,2]=4 121 B8R1.1 O=CC1=NC=C(Cl)S1 OR59882 [1,1,0,0,0,0|0,0,2]=4 122 B8R1.23 CC(=O)N1CC(N)C1 OR317198 [0,1,0,0,1,0|2,0,0]=4 123 B8R1.38 COC(=O)C1CCN1 OR317227 [0,1,0,0,1,0|0,0,2]=4 124 B8R1.38 O=C(CBr)N1CCC1 OR460014 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.15 COC(=O)C1=COCCC1 OR470823 [0,1,0,0,0,1|1,1,0]=4 126 B10R1.54 CC(=O)NC1=NC=C(Br)S1 OR15548 [0,1,0,0,0,1|0,0,2]=4 127 B10R1.54 CC(=O)NC1=NC=C(C)S1 OR909503 [0,1,0,0,0,1|0,0,2]=4 128 B8R1.5 O=C1CCCCC1=O OR0317 [0,0,1,1,0,0|1,1,0]=4 129 B6R1.6 O=CC1CCC1 OR313071 [1,0,0,0,1,0|1,0,1]=4 130 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,0,0,2,0|0,0,1]=3 131 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,0,0,2,0|0,1,1]=4 132 B6R1.11 NC(=O)C1CC1 OR18286 [0,0,0,0,2,0|1,0,1]=4 133 B6R1.11 O=C(Cl)C1CC1 OR17255 [0,0,0,0,2,0|1,0,1]=4 134 B6R1.11 O=C(O)C1CC1 OR5295 [0,0,0,0,2,0|1,0,1]=4 135 B8R1.2 CSC1=NCCCN1 OR23426 [1,0,0,0,0,1|2,0,0]=4 136 B8R1.2 CSC1=NCCCS1 OR2828 [1,0,0,0,0,1|1,0,0]=3 137 B8R1.2 O=CC1=COCCC1 OR3126 [1,0,0,0,0,1|1,1,0]=4