0 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,0,0|1,0,3]=4 1 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,0,0,0,0,0|0,0,2]=2 11 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.7 N=C(N)C1=NC=CS1 T8198 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,0,0,0,0,0|1,1,2]=4 19 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.7 NC(=O)C1=NN=CN1 T69492 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.7 O=C(O)C1=CSN=N1 T61264 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,0,0|1,0,2]=3 38 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.7 O=C(O)C1=NON=C1 X39804 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,0,0,0|3,0,1]=4 43 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,0,0,0|2,0,2]=4 44 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,0,0,0|2,1,1]=4 45 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,0,0,0|2,1,1]=4 46 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,0,0,0|2,1,1]=4 48 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,0,0|2,0,2]=4 49 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,0,0|2,0,2]=4 50 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,0,0,0,0,0|1,1,2]=4 51 B8R1.7 O=[N+]([O-])C1=NOCC1 N39838 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|0,0,3]=4 53 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.1 CNC1=NC=NS1 M32356 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.1 COC1=NCCC1 M69559 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 ClCC1=NCCN1 C69471 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,0,0|1,0,2]=4 63 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|0,0,2]=3 64 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,0,0,0|0,0,2]=3 68 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.11 COC(=O)C1=CN=CS1 M2158 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.11 COC(=O)C1=CNN=N1 M40140 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.11 COC(=O)C1=CSC=N1 M2932 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.11 COC(=O)C1=NC=CN1 M11275 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.11 COC(=O)C1=NC=CO1 M40998 [0,1,0,0,0,0|0,1,2]=4 76 B9R1.11 COC(=O)C1=NC=CS1 M40994 [0,1,0,0,0,0|0,0,2]=3 77 B9R1.11 COC(=O)C1=NNC=N1 M39151 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.11 COC(=O)C1=NNN=C1 M40141 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,0,0,0|1,0,2]=4 81 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,0,0,0|1,0,2]=4 82 B9R1.11 O=C(CBr)C1=NC=CS1 B40844 [0,1,0,0,0,0|0,0,2]=3 83 B9R1.19 O=S(=O)(O)C1=NCCN1 D39866 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [0,1,0,0,0,0|1,0,2]=4 85 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.35 CC(=O)C1=CN=C(Br)S1 B32437 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.35 CC(=O)C1=CN=C(N)S1 A41052 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.35 CC(=O)C1=CSC(N)=N1 A41051 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [0,1,0,0,0,0|0,1,2]=4 92 B9R1.35 CC(=O)C1=NC=C(Br)S1 B13063 [0,1,0,0,0,0|0,0,2]=3 93 B9R1.35 CC(=O)C1=NC=C(Cl)S1 C13062 [0,1,0,0,0,0|0,0,2]=3 94 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.35 CC1=CN=C(C(=O)O)S1 M40996 [0,1,0,0,0,0|1,0,2]=4 101 B9R1.35 CC1=CSC(C(=O)O)=N1 M14993 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.35 CC1=NN=C(C(=O)[O-])S1 L40037 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.35 NC1=CN=C(C(=O)O)S1 A14284 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.35 NC1=CN=C(C(=O)O)S1 A7363 [0,1,0,0,0,0|1,0,2]=4 105 B9R1.35 O=C(O)C1=NC(Br)=CS1 B7895 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.35 O=C(O)C1=NC=C(Br)S1 B10955 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.35 O=C(O)C1=NC=C(Cl)S1 C13056 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,0,0|1,0,2]=4 111 B7R0.4 CC(=O)CCCCBr B41532 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 CC(=O)OCCCBr B41266 [0,0,1,0,0,0|3,0,0]=4 113 B7R0.4 CC(=O)OCCCCl C39190 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.4 CCC\C=C\C(=O)O H41460 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.5 CCC=C(C)C(=O)O M39198 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.5 CCOC(=O)C(=O)O E36772 [0,0,1,0,0,0|2,1,0]=4 117 B7R0.5 CCOC(=O)C(C)=O E60800 [0,0,1,0,0,0|1,1,0]=3 118 B7R0.5 CCOC(=O)C(N)=O E60589 [0,0,1,0,0,0|2,1,0]=4 119 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,0,1,0,0,0|3,0,0]=4 120 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,0,1,0|1,0,1]=3 121 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,0,1,0|2,0,1]=4 122 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,0,1,0|2,0,1]=4 123 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,0,1,0|2,0,1]=4 124 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,0,1,0|1,0,2]=4 125 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,0,1,0|1,0,2]=4 126 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,0,1,0|1,1,1]=4 127 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,0,1,0|1,1,1]=4 128 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,0,1,0|1,0,2]=4 129 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,0,1,0|1,0,2]=4 130 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,0,1,0|1,1,1]=4 131 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,0,1|1,0,2]=4 134 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,0,1|1,0,2]=4 135 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,0,1|1,0,2]=4 136 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,0,1|1,0,2]=4 137 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,0,0,0,0,1|2,0,1]=4 140 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,0,0,0,0,1|2,1,0]=4 142 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,0,0,0,0,1|2,1,0]=4 143 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,0,0,0,1|2,0,1]=4 144 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,0,1|1,0,2]=4 145 B6R0.4 CC(=O)CCCCl C68599 [1,0,1,0,0,0|1,0,1]=4 146 B6R0.4 CC(=O)NCCN A68626 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.4 CC(=O)NCCO H68625 [1,0,1,0,0,0|0,1,1]=4 148 B6R0.4 CC(=O)OCCBr B67892 [1,0,1,0,0,0|1,1,0]=4 149 B6R0.4 CC(C)=CCCBr B0351 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.4 COC=CC(C)=O M41222 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.6 CC=CCCCO H41548 [1,0,1,0,0,0|1,1,0]=4 153 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,0,1,0,0,0|1,1,0]=4 154 B6R0.3 CCN(C)C(C)=O E40404 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.3 CON(C)C(C)=O M3307 [1,0,1,0,0,0|1,1,0]=4 156 B6R1.2 CC1=NC=CS1 M40165 [2,0,0,0,0,0|0,0,2]=4 157 B6R1.2 CC1=NCCC1 M41239 [2,0,0,0,0,0|1,0,0]=3 158 B6R1.2 NC1=NCCC1 D38561 [2,0,0,0,0,0|2,0,0]=4 159 B6R1.2 O=C1NCCN1 K62398 [2,0,0,0,0,0|1,0,1]=4 160 B6R1.2 O=C1NCCS1 T39859 [2,0,0,0,0,0|0,0,1]=3 161 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,1,0,0,0|2,0,0]=4 162 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,1,0,0,0|1,1,0]=4 163 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,1,0,0,0|1,1,0]=4 164 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,1,0,0,0|1,1,0]=4 165 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,1,0,0,0|1,1,0]=4 166 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,1,0,0,0,0|0,0,2]=4 167 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,1,0,0,0,0|0,0,2]=4 168 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,1,0,0,0,0|0,0,2]=4 169 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [1,1,0,0,0,0|0,0,2]=4 170 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [1,1,0,0,0,0|0,0,2]=4 171 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,0,1,0|1,0,1]=4 172 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,0,1,0|2,0,0]=4 173 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,1,0,0,1,0|2,0,0]=4 174 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,0,1,0|0,0,2]=4 175 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,0,1,0|0,0,2]=4 176 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,0,1,0|0,0,2]=4 177 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,1,0,0,0,1|2,0,0]=4 179 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,1,0,0,0,1|1,0,1]=4 180 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,1,0,0,0,1|1,1,0]=4 181 B10R1.54 CC(=O)NC1=NC(C)=CS1 A68861 [0,1,0,0,0,1|0,0,2]=4 182 B10R1.54 CC(=O)NC1=NC=C(Br)S1 A2519 [0,1,0,0,0,1|0,0,2]=4 183 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,2,0,0,0,0|0,0,2]=4 184 B10R1.11 CCOC(=O)C1=NN=CS1 T67360 [0,2,0,0,0,0|1,0,1]=4 185 B10R1.14 COC(=O)C1=NC(Br)=CS1 M8686 [0,2,0,0,0,0|0,0,2]=4 186 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [0,2,0,0,0,0|0,0,2]=4 187 B10R1.14 COC(=O)C1=NC=C(Br)S1 M17507 [0,2,0,0,0,0|0,0,2]=4 188 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [0,2,0,0,0,0|0,0,2]=4 189 B10R1.14 COC(=O)C1=NC=C(N)S1 M14283 [0,2,0,0,0,0|0,0,2]=4 190 B10R1.149 COC(=O)[C@@H]1SCCC1=O M38166 [0,2,0,0,0,0|1,0,1]=4 191 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,1,1,0,0|2,0,0]=4 192 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,1,1,0,0|2,0,0]=4 193 B8R1.5 O=C1CCCCC1=O C67839 [0,0,1,1,0,0|1,1,0]=4 194 B6R1.11 O=C(O)C1CC1 C69104 [0,0,0,0,2,0|1,0,1]=4 195 B8R1.2 O=CC1=CCCOC1 D43308 [1,0,0,0,0,1|1,1,0]=4 196 B8R1.2 O=CC1=COCCC1 D43307 [1,0,0,0,0,1|1,1,0]=4