0 B10R1.66 C(C(=O)O)=CC1=CC=CO1 CS-W013327 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.66 CC(=O)OCC1=CC=CO1 CS-W011037 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.66 O=C(O)CCC1=CC=CN1 CS-W021754 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 O=C(O)CCC1=CC=CO1 CS-0155529 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.66 O=C(O)CCC1=CC=CS1 CS-0043395 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.66 O=C(O)CCC1=CC=NO1 CS-0313337 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 O=C(O)CCC1=CN=CN1 CS-0038274 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 O=C(O)CCC1=CN=CS1 CS-0159433 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.66 O=C(O)CCC1=CSC=C1 CS-0043393 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0170811 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 O=C(O)CCC1=NC=CN1 CS-0369857 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 O=C(O)CCC1=NC=CS1 CS-W002963 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.66 O=C(O)CCN1C=CC=C1 CS-0197479 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 O=C(O)CCN1C=CC=N1 CS-W004012 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 O=C(O)\C=C\C1=CC=CN1 CS-0253084 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.66 O=C(O)\C=C\C1=CC=CO1 CS-0077003 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-0058700 [0,0,0,0,0,0|2,1,1]=4 17 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-W018039 [0,0,0,0,0,0|2,1,1]=4 18 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 CS-0036957 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.12 C(C=O)=CC1=CC=CO1 CS-W013561 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.12 CCCCC1=CC=CS1 CS-0182118 [1,0,0,0,0,0|1,1,1]=4 21 B9R1.12 CCOCC1=CC=CO1 CS-W018955 [1,0,0,0,0,0|0,0,1]=2 22 B9R1.12 OCCCC1=CC=CO1 CS-0568707 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.25 COC(=O)CCC1=CC=CN1 CS-W008195 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CS-M3349 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CS-M2655 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.75 CC(=O)\C=C\C1=CC=C(Cl)O1 CS-0274633 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 CS-0468509 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 CS-0071505 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)O1 CS-0782224 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.77 NC(CC(=O)O)C1=CC=CO1 CS-0132992 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.77 NC(CC(=O)O)C1=CC=CS1 CS-0215576 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 CS-0155524 [0,1,0,0,0,0|2,1,0]=4 33 B11R1.90 CC1=C(CCC(=O)O)SC=C1 CS-0076798 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.90 CN1C=CC=C1CCC(=O)O CS-0117674 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.2 C(CC)=CCCOC(C)=O CS-W016426 [0,0,1,0,0,0|1,0,2]=4 36 B11R2.36 O=C1CCC2=C(C1)SC=N2 CS-0670488 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.13 CC(=O)NC1=NC=CS1 CS-0095600 [0,0,0,0,1,0|2,1,0]=4 38 B9R1.13 CN(C)CC1=CC=CS1 CS-0545821 [0,0,0,0,1,0|2,1,0]=4 39 B9R1.13 NC(=O)CC1=CC=CS1 CS-0149944 [0,0,0,0,1,0|1,1,0]=3 40 B9R1.13 O=C(O)CC1=CC=CS1 CS-W001142 [0,0,0,0,1,0|1,1,0]=3 41 B9R1.13 O=C(O)CC1=CN=CN1 CS-W007686 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.13 O=C(O)CC1=CSC=C1 CS-W001140 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.13 O=C(O)CC1=CSC=N1 CS-0148809 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.13 O=C(O)CC1=NC=CS1 CS-W002885 [0,0,0,0,1,0|2,1,0]=4 45 B9R1.13 O=C(O)CC1=NNC=C1 CS-D0036 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.13 O=C(O)CC1=NNC=C1 CS-D0159 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.13 O=C(O)CN1C=CC=C1 CS-0073771 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.13 O=C(O)CN1C=CC=N1 CS-W002537 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.91 CC(=O)C#CC1=CC=CC=C1 CS-W004450 [0,0,0,0,0,1|2,0,1]=4 50 B11R1.91 CC(=O)CCC1=CC=CC=C1 CS-W016332 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.91 CC(=O)COC1=CC=CC=C1 CS-0066530 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.91 CC(=O)NCC1=CC=CC=C1 CS-0044769 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.91 CC(=O)OCC1=CC=CC=C1 CS-W018145 [0,0,0,0,0,1|1,0,0]=2 55 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-0031350 [0,0,0,0,0,1|2,0,1]=4 56 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,1|2,0,1]=4 57 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.91 NC(=O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.91 O=C(O)CCC1=CC=CC=C1 CS-W019781 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.91 O=C(O)CCC1=CC=NC=C1 CS-0140245 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.91 O=C(O)CCC1=CN=CC=C1 CS-W018123 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.172 CC(=O)CSCC1=CC=CO1 CS-0363276 [0,0,0,0,0,1|0,1,0]=2 64 B11R1.172 NC(=O)NCCC1=CC=CS1 CS-0213120 [0,0,0,0,0,1|2,1,0]=4 65 B11R1.172 O=C(O)CCCC1=CC=CS1 CS-W020036 [0,0,0,0,0,1|2,1,0]=4 66 B8R1.8 CCCC1=CC=CS1 CS-0138003 [2,0,0,0,0,0|0,1,1]=4 67 B8R1.8 CNCC1=CC=CO1 CS-0187786 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.8 CNCC1=CC=CS1 CS-W018825 [2,0,0,0,0,0|1,1,0]=4 69 B8R1.8 NCCC1=CC=CO1 CS-B1143 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.11 CCCC(N)C1=CC=CO1 CS-0497692 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.11 CCOC(=O)C1=CC=CO1 CS-0015334 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.21 CCCCCC1=CC=CO1 CS-0119428 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.23 O=C(O)C(=O)C1=CC=CO1 CS-W016471 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS-W002831 [0,1,0,0,1,0|1,1,0]=4 75 B10R1.54 CC1=CC=C(CN(C)C)O1 CS-0181801 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.54 CC1=NOC(CC(=O)O)=C1 CS-0067394 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.54 O=C(O)CC1=CC(Br)=CS1 CS-0157332 [0,1,0,0,1,0|1,1,0]=4 78 B10R1.54 O=C(O)CC1=CC=C(Br)S1 CS-0136802 [0,1,0,0,1,0|1,1,0]=4 79 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 CS-0035867 [0,1,0,0,1,0|1,1,0]=4 80 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 CS-0155061 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.21 CC(=O)CCC1=CC=C(I)C=C1 CS-0238159 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS-0016855 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 CS-0197491 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 CS-0109544 [0,1,0,0,0,1|1,0,1]=4 85 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 CS-W020607 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CS-0017193 [0,1,0,0,0,1|1,0,0]=3 87 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.27 COC(=O)CCC1=CC=CC=N1 CS-0150699 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.27 COC(=O)CCC1=CC=NC=C1 CS-0213157 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.27 COC(=O)CCC1=CN=CC=C1 CS-0150698 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.27 COC(=O)NCC1=CC=CC=C1 CS-0150648 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W011916 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CS-0661942 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,1,0,0,0,1|1,0,0]=3 98 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 CS-0033864 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 CS-0171366 [0,1,0,0,0,1|1,0,0]=3 100 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.27 O=C(NO)OCC1=CC=CC=C1 CS-0120018 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 CS-0154001 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 CS-0154089 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl CS-0254012 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.125 CC(=O)NCC1=CC=CC=C1Br CS-0132479 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 CS-0044463 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 CS-0181819 [0,2,0,0,0,0|0,0,0]=2 110 B10R1.18 CC(=O)OC1=CC=CN=C1 CS-0196423 [0,0,1,1,0,0|1,0,1]=4 111 B10R1.61 CC(=O)C1=CC=CC=C1O CS-W020051 [0,0,1,1,0,0|1,0,1]=4 112 B10R1.61 CC(=O)C1=NC=CC=C1O CS-W019613 [0,0,1,1,0,0|2,0,0]=4 113 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [0,0,1,1,0,0|1,0,1]=4 114 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 CS-0620216 [0,0,0,1,0,1|1,0,0]=3 116 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 CS-0197573 [0,0,0,1,0,1|2,0,0]=4 117 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,1|1,0,0]=3 118 B12R2.24 O=C1CCC2=CC=CC=C2C1 CS-B0118 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.24 O=C1NC2=CC=CC=C2CO1 CS-0145262 [0,0,0,1,0,1|2,0,0]=4 120 B12R2.2383 C1=COC(COCC2CO2)=C1 CS-W018044 [0,0,0,1,0,1|0,0,2]=4 121 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [0,0,0,0,2,0|1,0,0]=3 122 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [0,0,0,0,2,0|0,0,0]=2 123 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [0,0,0,0,2,0|0,1,0]=3 124 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [0,0,0,0,2,0|2,0,0]=4 125 B8R1.7 CC(=O)C1=CC=NO1 CS-0005550 [0,0,0,0,2,0|1,0,0]=3 126 B8R1.7 CC(=O)C1=CN=CN1 CS-W005870 [0,0,0,0,2,0|2,0,0]=4 127 B8R1.7 CC(=O)C1=CN=CS1 CS-0171646 [0,0,0,0,2,0|1,1,0]=4 128 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,0,0,0,2,0|2,0,0]=4 129 B8R1.7 CC(=O)C1=COC=N1 CS-0147273 [0,0,0,0,2,0|2,0,0]=4 130 B8R1.7 CC(=O)C1=CSC=C1 CS-W007361 [0,0,0,0,2,0|2,0,0]=4 131 B8R1.7 CC(=O)C1=CSC=N1 CS-W006054 [0,0,0,0,2,0|2,0,0]=4 132 B8R1.7 CC(=O)C1=NC=CN1 CS-W004255 [0,0,0,0,2,0|2,0,0]=4 133 B8R1.7 CC(=O)C1=NC=CO1 CS-0103616 [0,0,0,0,2,0|1,0,0]=3 134 B8R1.7 CC(=O)C1=NC=CS1 CS-W008970 [0,0,0,0,2,0|1,1,0]=4 135 B8R1.7 CC(=O)C1=NNC=C1 CS-0155071 [0,0,0,0,2,0|2,0,0]=4 136 B8R1.7 CC(N)C1=CC=CO1 CS-0247307 [0,0,0,0,2,0|1,0,1]=4 137 B8R1.7 CC(O)C1=CC=CO1 CS-0378111 [0,0,0,0,2,0|0,0,2]=4 138 B8R1.7 C[C@@H](N)C1=CC=CO1 CS-0131598 [0,0,0,0,2,0|1,0,1]=4 139 B8R1.7 NC(=O)C1=CC=CN1 CS-0155549 [0,0,0,0,2,0|2,0,0]=4 140 B8R1.7 NC(=O)C1=CC=CO1 CS-0155532 [0,0,0,0,2,0|1,0,0]=3 141 B8R1.7 NC(=O)C1=CC=CS1 CS-0181836 [0,0,0,0,2,0|1,1,0]=4 142 B8R1.7 O=C(O)C1=CC=CN1 CS-W001963 [0,0,0,0,2,0|2,0,0]=4 143 B8R1.7 O=C(O)C1=CC=CO1 CS-W013662 [0,0,0,0,2,0|1,0,0]=3 144 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,0,0,0,2,0|1,1,0]=4 145 B8R1.7 O=C(O)C1=CC=NO1 CS-W000637 [0,0,0,0,2,0|2,0,0]=4 146 B8R1.7 O=C(O)C1=CN=CO1 CS-W007534 [0,0,0,0,2,0|2,0,0]=4 147 B8R1.7 O=C([O-])C1=CC=CS1 CS-0155523 [0,0,0,0,2,0|1,1,0]=4 148 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,0,0,0,2,0|1,1,0]=4 149 B8R1.7 O=C([O-])C1=NC=CO1 CS-W018749 [0,0,0,0,2,0|2,0,0]=4 150 B10R1.17 C=COCC1=CC=CC=C1 CS-0049793 [1,0,0,0,0,1|1,0,1]=4 151 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,0,0,0,0,1|1,0,1]=4 152 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [1,0,0,0,0,1|2,0,0]=4 153 B10R1.17 O=COCC1=CC=CC=C1 CS-0128265 [1,0,0,0,0,1|1,0,0]=3 154 B12R1.252 NC(=O)COCC1=CC=CC=C1 CS-0186437 [0,0,0,0,0,2|2,0,0]=4 155 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS-W002601 [0,0,0,0,0,2|2,0,0]=4