0 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 N=C(N)C1=NC=CC=N1 CS-M1221 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 N=C(N)C1=NC=CN=C1 CS-0018934 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,0,0,0,0,0|0,0,4]=4 17 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,0,0|0,0,1]=1 18 B9R1.6 OB(O)C1=CC=NC=C1 CS-D1206 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.2 CNC1=CC=NC=C1 CS-W013674 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 COC1=CC=CC=N1 CS-W009307 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 COC1=CC=NC=C1 CS-W007634 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 NN=C1C=CNC=C1 CS-W004835 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 OCC1=CC=CN=C1 CS-4356 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.2 OCC1=NN=CC=C1 CS-W005032 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 CS-W021203 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS-W020082 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [0,1,0,0,0,0|1,0,1]=3 44 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS-0007012 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS-W016511 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS-W019205 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 CS-B0174 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-B1284 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-B0690 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-W002389 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-0102805 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-W017476 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS-W019509 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 N=C1C=CC(B(O)O)=CN1 CS-W005558 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 CS-D1388 [0,1,0,0,0,0|1,1,0]=3 67 B10R1.13 NC1=CC=C(B(O)O)C=N1 CS-0095472 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 CS-W016479 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.13 O=C(O)C1=CN=C(O)N=C1 CS-0044024 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS-W008708 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS-W018782 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS-B0945 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 O=C1C=CC(B(O)O)=CN1 CS-W003943 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 CS-0055735 [0,1,0,0,0,0|1,0,1]=3 78 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 CS-W013280 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 CS-W016470 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 CS-D1019 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS-D1133 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.15 NNC(=O)C1=NC=NC=C1 CS-W022945 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [0,1,0,0,0,0|0,0,2]=3 94 B10R1.28 CC(C)(O)C1=NC=CC=C1 CS-W021455 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W017639 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.61 CC(=O)C1=C(F)C=NC=C1 CS-W021221 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.61 CC(=O)C1=C(O)C=NC=C1 CS-B0938 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.61 CC(C)C1=CC=CC=C1I CS-W021342 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 CC1=CC=CC=C1C(N)=S CS-W018110 [0,1,0,0,0,0|1,1,0]=3 102 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 CS-0000328 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 C[C@@H](O)C1=CC=CC=C1F CS-0085730 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-0031394 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-D0618 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 C[C@H](O)C1=CC=CN=C1N CS-M0435 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.61 N=C(N)C1=CC=CC=C1F CS-0019235 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CS-0094470 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.61 NC(=O)C1=CC=CN=C1N CS-M0989 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.61 NC(=O)C1=CC=NC=C1N CS-W005498 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.61 NC(=O)C1=NC=CNC1=O CS-M1514 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.61 NC1=CC=CN=C1[N+](=O)[O-] CS-W002218 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.61 NC1=NC=CN=C1C(=O)O CS-W020071 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.61 NC1=NC=NC=C1C(=O)O CS-0030400 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [0,1,0,0,0,0|0,0,0]=1 120 B10R1.61 O=C(O)C1=CC=CNC1=O CS-W018547 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.61 O=C(O)C1=CN=CNC1=O CS-W022518 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.61 O=C(O)C1=CNC=CC1=O CS-W007951 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.61 O=C(O)C1=NC=CNC1=O CS-W019268 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.61 O=N(=O)C1=C(Br)N=CC=C1 CS-W015483 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.61 O=[N+]([O-])C1=C(Br)C=NC=C1 CS-D1648 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.61 O=[N+]([O-])C1=CC=CN=C1F CS-D0967 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O CS-W008612 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.61 OB(O)C1=C(Br)N=CC=C1 CS-W015532 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.61 OB(O)C1=CC=CN=C1Cl CS-D1047 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.61 OB(O)C1=CC=CN=C1F CS-D1043 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.61 OB(O)C1=CC=NC=C1F CS-W007945 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.61 [C@@H](C)(O)C1=CC=CC=C1F CS-0044022 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.61 [C@H](C)(N)C1=CC=CC=C1F CS-0043725 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.113 CC(=O)C1=NC(N)=NC=C1 CS-0031410 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.113 CC(C)C1=CC(Br)=CC=C1 CS-W010514 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.113 CC(N)C1=CC=CC(Br)=C1 CS-M2202 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS-W007381 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS-W021257 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.113 CC1=NC(N(=O)=O)=CC=C1 CS-0044032 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.113 CN(C)C1=CC=CC(Br)=C1 CS-W008533 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.113 C[C@@H](N)C1=CC(Br)=CC=C1 CS-W008570 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 CS-0000296 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 CS-B0179 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 CS-B0172 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 CS-D1558 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 CS-0030451 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS-W018320 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.113 NC1=CN=CC(B(O)O)=C1 CS-0067147 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 CS-0050212 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [0,1,0,0,0,0|0,0,0]=1 158 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 CS-W007003 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.113 O=C1C=C(C(=O)O)N=CN1 CS-W019789 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.113 O=C1C=NC=C(C(=O)[O-])N1 CS-M0894 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.113 O=C1CC(C(=O)O)=CC=N1 CS-0046247 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.113 O=N(=O)C1=CC=CC(F)=C1 CS-W018306 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 CS-D1658 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.113 O=[N+]([O-])C1=CN=CC(Br)=C1 CS-W003163 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 CS-D1048 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.113 OB(O)C1=CC(F)=CN=C1 CS-D0337 [0,1,0,0,0,0|2,0,1]=4 169 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [0,0,0,1,0,0|1,0,1]=3 170 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [0,0,0,1,0,0|1,0,1]=3 171 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [0,0,0,0,1,0|3,0,0]=4 172 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,0,0,0,1,0|2,0,0]=3 173 B8R1.7 NC(=O)C1=NC=CS1 CS-0030426 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,0,0,0,1,0|1,0,0]=2 175 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [0,0,0,0,1,0|0,0,3]=4 176 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [0,0,0,0,1,0|2,0,0]=3 177 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [0,0,0,0,1,0|2,0,0]=3 178 B8R1.7 O=C(O)C1=CSN=N1 CS-0038011 [0,0,0,0,1,0|3,0,0]=4 179 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,0,0,0,1,0|1,0,1]=3 181 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,0,1|2,0,0]=3 182 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,0,1|1,0,0]=2 183 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,0,1|1,0,0]=2 184 B10R1.18 NC(=S)NC1=NC=CC=C1 CS-W018070 [0,0,0,0,0,1|2,1,0]=4 185 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,0,1|1,0,0]=2 186 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [0,0,0,0,0,1|1,1,0]=3 187 B7R1.3 BrC1=CC=CN=C1 CS-0008362 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.3 BrC1=CC=NC=C1 CS-M0097 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.3 BrC1=CC=NC=C1 CS-M3060 [2,0,0,0,0,0|2,0,0]=4 190 B7R1.3 ClC1=CC=NC=C1 CS-W019791 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.3 ClC1=CN=CC=C1 CS-W011253 [2,0,0,0,0,0|2,0,0]=4 192 B7R1.3 FC1=CC=CC=N1 CS-W011339 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.3 FC1=CC=NC=C1 CS-W011075 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.3 FC1=CN=CC=C1 CS-W011338 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.3 IC1=CC=CC=C1 CS-W008603 [2,0,0,0,0,0|1,0,0]=3 196 B7R1.3 NC1=CC=CC=C1 CS-W018553 [2,0,0,0,0,0|1,0,0]=3 197 B7R1.3 O=C1C=NC=CN1 CS-W013733 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.3 O=C1N=CC=CN1 CS-W002079 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.3 OC1=CC=CC=N1 CS-0032800 [2,0,0,0,0,0|1,0,0]=3 200 B7R1.3 OC1=CC=NC=C1 CS-W007690 [2,0,0,0,0,0|1,0,0]=3 201 B7R1.3 OC1=CC=NN=C1 CS-W008723 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.3 [O-]C1=CC=CC=C1 CS-0048749 [2,0,0,0,0,0|0,0,1]=3 203 B9R1.1 C#CC1=CC=C(Br)C=C1 CS-W007542 [1,1,0,0,0,0|1,0,1]=4 204 B9R1.1 C=CC1=CC=C(Br)C=C1 CS-W009005 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.1 C=CC1=CC=C(O)C=C1 CS-W005288 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.1 CC1=CC=C(CN)C=C1 CS-W022218 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.1 CC1=CC=C(NN)C=C1 CS-W016192 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.1 CC1=NC=C(C=O)C=N1 CS-D1652 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.1 CCC1=CC=C(Br)C=C1 CS-W016965 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.1 CCC1=CC=C(I)C=C1 CS-0109504 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.1 CNC1=CC=C(N)C=C1 CS-W022918 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.1 N#CC1=CC=C(S)C=C1 CS-D0524 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.1 NC1=CC=C(CO)C=C1 CS-W007465 [1,1,0,0,0,0|0,0,1]=3 215 B9R1.1 NCC1=CC=C(O)C=C1 CS-W004078 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.1 NNC1=CC=C(Br)C=C1 CS-W013083 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.1 NNC1=CC=C(Cl)C=C1 CS-W017296 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.1 NNC1=CC=C(F)C=C1 CS-W007861 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.1 O=CC1=CC=C(Br)N=C1 CS-D0958 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.1 O=CC1=CC=C(F)C=C1 CS-W008729 [1,1,0,0,0,0|0,0,0]=2 221 B9R1.1 O=CC1=CN=C(F)C=C1 CS-W004680 [1,1,0,0,0,0|1,0,0]=3 222 B9R1.1 O=CC1=CNC(=O)C=C1 CS-W019709 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.1 O=CC1=CNC(=O)N=C1 CS-0101862 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.1 O=CC1=NC=C(O)C=C1 CS-W005647 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.1 OCC1=CN=C(F)C=C1 CS-0044070 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.2 C#CC1=CC(F)=CC=C1 CS-W013579 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.2 C#CC1=CC=CC(Br)=C1 CS-W018828 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.2 CC1=CC=CC(C=O)=C1 CS-0007820 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.2 CC1=CN=CC(CO)=C1 CS-0040539 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.2 CNC1=CC=CC(Br)=C1 CS-W004947 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.2 COC1=CC(I)=CC=C1 CS-W012919 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.2 CSC1=CC=CC(Br)=C1 CS-W015472 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.2 N#CC1=CC(Cl)=CC=C1 CS-W011053 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.2 N#CC1=CC(F)=CC=C1 CS-W013568 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.2 NCC1=CC(O)=CC=C1 CS-0079906 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.2 NCC1=CC=CC(I)=C1 CS-W002083 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.2 O=CC1=CC(Br)=NC=C1 CS-W007762 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.2 O=CC1=CC(I)=CC=C1 CS-W007699 [1,1,0,0,0,0|0,0,0]=2 240 B9R1.2 O=CC1=CC=CC(Br)=C1 CS-W009197 [1,1,0,0,0,0|0,0,0]=2 241 B9R1.2 O=CC1=CN=CC(F)=C1 CS-W018621 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.2 O=CC1=NC(Br)=CC=C1 CS-D0741 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS-W005244 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.2 O=CC1=NC=CC(Br)=C1 CS-W004857 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.2 OCC1=CC(Br)=CC=C1 CS-W007761 [1,1,0,0,0,0|0,0,1]=3 246 B9R1.2 OCC1=CC(Cl)=CC=C1 CS-W018271 [1,1,0,0,0,0|0,0,1]=3 247 B9R1.2 OCC1=CC(I)=CC=C1 CS-0059266 [1,1,0,0,0,0|0,0,1]=3 248 B9R1.2 OCC1=CC(O)=CN=C1 CS-0094527 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.2 OCC1=NC=CC(Br)=C1 CS-W018599 [1,1,0,0,0,0|1,0,1]=4 250 B9R1.2 OCC1=NC=CC(Cl)=C1 CS-W003408 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [1,1,0,0,0,0|1,0,1]=4 252 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [1,1,0,0,0,0|0,0,1]=3 254 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [1,1,0,0,0,0|0,0,1]=3 256 B9R1.15 C#CC1=C(Br)C=CC=C1 CS-0028333 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.15 C=CC1=CC=CC=C1N CS-W006235 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.15 CC1=C(CO)N=CC=C1 CS-0046819 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.15 CC1=CC=CC=C1C=O CS-W008902 [1,1,0,0,0,0|0,0,0]=2 260 B9R1.15 CC1=CC=CC=C1NN CS-W007773 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.15 CNC1=CC=CC=C1F CS-W013511 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.15 CNC1=CC=CC=C1N CS-W015729 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.15 COC1=CC=CC=C1Br CS-W007633 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.15 COC1=CC=CC=C1I CS-W009305 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.15 CSC1=C(N)C=CC=C1 CS-0072892 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.15 N#CC1=CC=CC=C1Br CS-W007475 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.15 N#CC1=CC=CC=C1Cl CS-W018317 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.15 N#CC1=CC=CC=C1O CS-W013585 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.15 N=C1C=CNC=C1C=O CS-W008204 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.15 NC1=CC=CC=C1CO CS-W004705 [1,1,0,0,0,0|0,0,1]=3 271 B9R1.15 NCC1=CC=CC=C1Br CS-W004667 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.15 O=CC1=C(O)C=CN=C1 CS-0047693 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.15 O=CC1=CC=CC=C1Br CS-D1759 [1,1,0,0,0,0|0,0,0]=2 274 B9R1.15 O=CC1=CC=CC=C1I CS-W007846 [1,1,0,0,0,0|0,0,0]=2 275 B9R1.15 O=CC1=CC=NC=C1Br CS-W007984 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.15 OCC1=CC=CC=C1Br CS-W008828 [1,1,0,0,0,0|0,0,1]=3 277 B9R1.15 OCC1=CC=CC=C1I CS-W004678 [1,1,0,0,0,0|0,0,1]=3 278 B9R1.15 OCC1=NC=CC=C1F CS-0031358 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [0,1,0,0,1,0|2,0,0]=4 280 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [0,1,0,0,1,0|1,0,0]=3 282 B9R1.11 COC(=O)C1=CNN=C1 CS-W005446 [0,1,0,0,1,0|2,0,0]=4 283 B9R1.11 COC(=O)C1=NC=CN1 CS-W005714 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [0,1,0,0,1,0|2,0,0]=4 285 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [0,1,0,0,1,0|2,0,0]=4 286 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [0,1,0,0,1,0|2,0,0]=4 287 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,1,0,0,1,0|1,0,0]=3 288 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [0,1,0,0,1,0|2,0,0]=4 289 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,1,0,0,1,0|2,0,0]=4 290 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [0,1,0,0,1,0|1,0,0]=3 292 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [0,1,0,0,1,0|1,0,0]=3 293 B9R1.35 O=C(O)C1=CN=C(Br)S1 CS-D0331 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CS-B1388 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.35 O=C(O)C1=COC(Cl)=N1 CS-W021675 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.35 O=C(O)C1=CSC(Br)=C1 CS-D0428 [0,1,0,0,1,0|1,0,0]=3 297 B9R1.35 O=C(O)C1=NC(Br)=CS1 CS-W006047 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.41 CC1=C(C(=O)O)C=CO1 CS-0095991 [0,1,0,0,1,0|1,0,0]=3 299 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [0,1,0,0,1,0|1,0,0]=3 301 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [0,1,0,0,1,0|1,0,0]=3 302 B9R1.41 CC1=C(C(=O)O)OC=N1 CS-W008834 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.41 CC1=NNC=C1C(=O)O CS-D0839 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.41 CN1C=CN=C1C(=O)O CS-W004706 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.41 NC(=O)C1=CSC=C1Br CS-0086828 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS-W005652 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,1,0,0,0,1|0,0,0]=2 310 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,1,0,0,0,1|0,0,0]=2 311 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,1,0,0,0,1|0,0,0]=2 312 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [0,1,0,0,0,1|1,0,1]=4 313 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [0,1,0,0,0,1|1,0,1]=4 314 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,1,0,0,0,1|0,0,0]=2 317 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,1,0,0,0,1|0,0,0]=2 320 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,1,0,0,0,1|0,0,0]=2 321 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 CS-0063791 [0,2,0,0,0,0|1,0,0]=3 322 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 CS-W004674 [0,2,0,0,0,0|1,0,1]=4 323 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 CS-W007797 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 CS-W007654 [0,2,0,0,0,0|0,0,0]=2 325 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS-0030581 [0,2,0,0,0,0|0,0,0]=2 326 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 CS-0045745 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.3 COC1=CC=C(C(N)=O)C=C1 CS-W022205 [0,2,0,0,0,0|1,0,0]=3 328 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS-W019666 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.3 CSC1=CC=C(B(O)O)C=C1 CS-D1041 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 CS-0063816 [0,2,0,0,0,0|0,0,0]=2 331 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 CS-D1546 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.3 NCC1=CC=C(B(O)O)C=C1 CS-0042868 [0,2,0,0,0,0|1,0,1]=4 333 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W018098 [0,2,0,0,0,0|0,0,0]=2 334 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 CS-W015931 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS-W018162 [0,2,0,0,0,0|0,0,0]=2 336 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS-W007577 [0,2,0,0,0,0|1,0,1]=4 337 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-0038697 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D0217 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D1126 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W005880 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W006139 [0,2,0,0,0,0|1,0,0]=3 342 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W022910 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 CS-W006199 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS-W005110 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 CS-W022956 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS-W005607 [0,2,0,0,0,0|1,0,0]=3 347 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 CS-W016243 [0,2,0,0,0,0|1,0,0]=3 348 B11R1.21 CC(=O)C1=CC=C(O)C(Br)=C1 CS-0042105 [0,2,0,0,0,0|1,0,0]=3 349 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS-W007779 [0,2,0,0,0,0|0,0,0]=2 350 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS-0032913 [0,2,0,0,0,0|0,0,0]=2 351 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS-W019905 [0,2,0,0,0,0|1,0,0]=3 352 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 CS-0043478 [0,2,0,0,0,0|1,0,0]=3 353 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS-W022384 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS-W010963 [0,2,0,0,0,0|0,0,0]=2 355 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 CS-M3392 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.21 CC1=CC(B(O)O)=CC=C1Cl CS-W017678 [0,2,0,0,0,0|1,0,1]=4 357 B11R1.21 CC1=CC(B(O)O)=CC=C1O CS-0061270 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.21 CC1=CC(C(=O)O)=CC=C1N CS-W018121 [0,2,0,0,0,0|0,0,0]=2 359 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS-D1645 [0,2,0,0,0,0|1,0,0]=3 360 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Br CS-W014876 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1F CS-W020035 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1I CS-W012470 [0,2,0,0,0,0|1,0,1]=4 363 B11R1.21 CC1=CC=C(B(O)O)C=C1O CS-0083482 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.21 CC1=CC=C(C(=O)O)C=C1C CS-W018150 [0,2,0,0,0,0|0,0,0]=2 365 B11R1.21 CC1=CC=C(C(=O)O)C=C1I CS-W020661 [0,2,0,0,0,0|0,0,0]=2 366 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1I CS-W012471 [0,2,0,0,0,0|1,0,1]=4 367 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br CS-W007217 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 CS-W021792 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 CS-0067533 [0,2,0,0,0,0|1,0,0]=3 370 B11R1.21 NC(=O)C1=CC=C(I)C(O)=C1 CS-W020532 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 CS-W022442 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 CS-W014872 [0,2,0,0,0,0|0,0,0]=2 373 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS-W008331 [0,2,0,0,0,0|0,0,0]=2 374 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS-W016253 [0,2,0,0,0,0|0,0,0]=2 375 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl CS-W020673 [0,2,0,0,0,0|0,0,0]=2 376 B11R1.21 NC1=CC=C(C(=O)O)C=C1O CS-W002114 [0,2,0,0,0,0|0,0,0]=2 377 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1Br CS-W005164 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.21 O=C(O)C1=CC(Br)=C(Br)N=C1 CS-0041188 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS-W006144 [0,2,0,0,0,0|0,0,0]=2 380 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 CS-W007398 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS-W008099 [0,2,0,0,0,0|0,0,0]=2 382 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS-W014591 [0,2,0,0,0,0|0,0,0]=2 383 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CS-0060337 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 CS-W014369 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS-W008049 [0,2,0,0,0,0|0,0,0]=2 386 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 CS-W009127 [0,2,0,0,0,0|0,0,0]=2 387 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(Br)=C1 CS-0097026 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.21 O=[N+]([O-])C1=CC=C(Cl)C(O)=C1 CS-W021663 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.21 O=[N+]([O-])C1=CC=C(F)C(Br)=C1 CS-W007651 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.21 O=[N+]([O-])C1=CC=C(F)C(I)=C1 CS-0041294 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(F)=C1 CS-0041295 [0,2,0,0,0,0|1,0,1]=4 392 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(O)=C1 CS-0060329 [0,2,0,0,0,0|1,0,1]=4 393 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 CS-0058406 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.21 OB(O)C1=CC=C(Cl)C(F)=C1 CS-D1011 [0,2,0,0,0,0|1,0,1]=4 395 B11R1.21 OB(O)C1=CC=C(F)C(Cl)=C1 CS-W020055 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 CS-0038628 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS-W014980 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS-W016035 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.22 CNC(=O)C1=CC=C(Cl)N=C1 CS-W006347 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 CS-0030263 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS-W004846 [0,2,0,0,0,0|0,0,0]=2 402 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 CS-B1786 [0,2,0,0,0,0|0,0,0]=2 403 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS-W007781 [0,2,0,0,0,0|0,0,0]=2 404 B11R1.22 COC(=O)C1=CC=C(F)N=C1 CS-W008583 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS-W007583 [0,2,0,0,0,0|0,0,0]=2 406 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS-W009283 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS-M0627 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS-W008071 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.22 COC(=O)C1=CNC(=O)C=N1 CS-M3260 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS-W004847 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS-W006118 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 CS-W018846 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS-0018830 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.22 COC(=O)C1=NC=C(F)C=N1 CS-0038962 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS-W009245 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 CS-W005175 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.22 COC(=O)C1=NN=C(O)C=C1 CS-0043958 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 CS-W022181 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 CS-0037604 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 CS-0089922 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS-W009314 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS-W005109 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Cl CS-W019153 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O CS-0040210 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.166 CC1=CC(Br)=CN=C1C(=O)[O-] CS-0039787 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS-W005794 [0,2,0,0,0,0|0,0,0]=2 428 B11R1.166 CC1=CC(Cl)=CC=C1B(O)O CS-W017681 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O CS-W008346 [0,2,0,0,0,0|0,0,0]=2 430 B11R1.166 CC1=CC(F)=CC=C1B(O)O CS-W008943 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.166 CC1=CC(F)=CC=C1C(=O)O CS-0020153 [0,2,0,0,0,0|0,0,0]=2 432 B11R1.166 CC1=CC(F)=CC=C1N(=O)=O CS-W016255 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 CS-D1029 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 CS-B0702 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=C1 CS-D1384 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.166 NC1=C(C(=O)O)N=CC(Br)=C1 CS-W013163 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.166 NC1=CC(Br)=CC=C1[N+](=O)[O-] CS-W003590 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O CS-D1675 [0,2,0,0,0,0|0,0,0]=2 439 B11R1.166 NC1=CC(Cl)=CC=C1[N+](=O)[O-] CS-W009030 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.166 NC1=CC(F)=CC=C1[N+](=O)[O-] CS-W001110 [0,2,0,0,0,0|1,0,1]=4 441 B11R1.166 NC1=CC(O)=CC=C1C(=O)O CS-0096257 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.166 NC1=CC(O)=CC=C1[N+](=O)[O-] CS-0018956 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.166 NC1=CC=C([N+](=O)[O-])C(F)=C1 CS-D1432 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O CS-B0235 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS-W010056 [0,2,0,0,0,0|0,0,0]=2 446 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 CS-W006913 [0,2,0,0,0,0|1,0,0]=3 447 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS-W008439 [0,2,0,0,0,0|1,0,0]=3 448 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS-W014051 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS-W008186 [0,2,0,0,0,0|0,0,0]=2 450 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F CS-M3187 [0,2,0,0,0,0|0,0,0]=2 451 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I CS-0067143 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl CS-D1753 [0,2,0,0,0,0|0,0,0]=2 453 B11R1.166 O=C(O)C1=CC=C(F)N=C1F CS-0091204 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.166 O=C(O)C1=CNC(=S)NC1=O CS-0045608 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 CS-W019312 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.166 O=[N+]([O-])C1=CC=C(Br)C=C1Cl CS-0088444 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1Br CS-D1760 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1I CS-0097279 [0,2,0,0,0,0|1,0,1]=4 460 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1O CS-W008895 [0,2,0,0,0,0|1,0,1]=4 461 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1F CS-W007386 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1O CS-0036812 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 CS-M1815 [0,2,0,0,0,0|1,0,1]=4 464 B11R1.12 OCC(CO)C1=CC=CC=C1 CS-W004830 [0,2,0,0,0,0|0,0,2]=4 465 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.16 CCOC(=O)C1=CC=CC=N1 CS-W008053 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.16 CCOC(=O)C1=CC=NC=C1 CS-W020597 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS-W014344 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.16 CCOC(=O)C1=NC=CN=C1 CS-M0893 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 CS-0089919 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS-M2758 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS-M2759 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 CS-W007467 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 CS-W008679 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 CS-0019209 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 CS-W006602 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.23 COC(=O)C1=CC(F)=CC=C1 CS-W019585 [0,2,0,0,0,0|0,0,0]=2 479 B11R1.23 COC(=O)C1=CC(F)=NC=C1 CS-0043947 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS-W004679 [0,2,0,0,0,0|0,0,0]=2 481 B11R1.23 COC(=O)C1=CC(N)=CN=C1 CS-W018097 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 CS-B1792 [0,2,0,0,0,0|0,0,0]=2 483 B11R1.23 COC(=O)C1=CC=CC(O)=C1 CS-B0668 [0,2,0,0,0,0|0,0,0]=2 484 B11R1.23 COC(=O)C1=CN=CC(C)=N1 CS-0061379 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS-M1028 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS-D1409 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS-W009002 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.23 COC(=O)C1=NC(F)=CC=C1 CS-W005576 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS-W004981 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS-W009166 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.23 COC(=O)C1=NC=CC(C)=C1 CS-0040863 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS-W008964 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.23 COC(=O)C1=NC=CC(N)=C1 CS-W001627 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 CS-W010776 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-W020717 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 CS-0095532 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-W020718 [0,2,0,0,0,0|1,0,1]=4 498 B11R1.23 N\C(=N/O)C1=CC(Br)=CC=C1 CS-B1370 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.23 N\N=C(/O)C1=CC(Br)=CC=C1 CS-W014905 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 CS-W012301 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 CS-0094851 [0,2,0,0,0,0|0,0,1]=3 502 B11R1.222 CNC(=O)C1=CC=CC=C1O CS-B1147 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS-W022806 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS-W022833 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.222 COC(=O)C1=CC=CC=C1Br CS-W007744 [0,2,0,0,0,0|0,0,0]=2 506 B11R1.222 COC(=O)C1=CC=CC=C1Cl CS-B1788 [0,2,0,0,0,0|0,0,0]=2 507 B11R1.222 COC(=O)C1=CC=CC=C1F CS-W018052 [0,2,0,0,0,0|0,0,0]=2 508 B11R1.222 COC(=O)C1=CC=CC=C1I CS-W007334 [0,2,0,0,0,0|0,0,0]=2 509 B11R1.222 COC(=O)C1=CC=CC=C1S CS-W017801 [0,2,0,0,0,0|0,0,0]=2 510 B11R1.222 COC(=O)C1=CC=CN=C1Br CS-0096861 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.222 COC(=O)C1=CC=CN=C1F CS-D0953 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.222 COC(=O)C1=CC=CN=C1O CS-0097361 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.222 COC(=O)C1=CC=NC=C1Br CS-W004946 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.222 COC(=O)C1=CC=NC=C1Cl CS-0038405 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.222 COC(=O)C1=CN=CNC1=N CS-W005665 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.222 COC(=O)C1=NC=CC=C1F CS-0044449 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.222 COC(=O)C1=NC=CN=C1O CS-W022832 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.222 O=C(NO)C1=CC=CC=C1O CS-0014188 [0,2,0,0,0,0|0,0,0]=2 519 B11R1.87 CC1=CC=NC=C1S(=O)(=O)O CS-0043756 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.87 CP(C)(=O)C1=CC=CC=C1N CS-W005746 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.87 NS(=O)(=O)C1=CC=CC=C1F CS-W007653 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1F CS-W007338 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.155 NC1=CC=CC(S(N)(=O)=O)=C1 CS-W019528 [0,2,0,0,0,0|1,0,1]=4 524 B11R1.53 C#CC1=CC=CC=C1C(=O)O CS-0059275 [0,2,0,0,0,0|0,0,0]=2 525 B11R1.53 CCC1=CC=CC=C1B(O)O CS-W008004 [0,2,0,0,0,0|1,0,1]=4 526 B11R1.53 CNC1=CC=CC=C1[N+](=O)[O-] CS-0011702 [0,2,0,0,0,0|1,0,1]=4 527 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS-W019566 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.53 COC1=CC=CC=C1C(=N)N CS-0039027 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.53 COC1=NC=CC=C1C(C)=O CS-W021206 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.53 CSC1=CC=CC=C1C(=O)O CS-W017800 [0,2,0,0,0,0|0,0,0]=2 531 B11R1.53 CSC1=NC=CC=C1C(=O)O CS-0063888 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.53 N#CC1=CC=CC=C1B(O)O CS-D1705 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.53 NCC1=CC=CC=C1B(O)O CS-0043156 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.53 O=C(O)C1=CC=CC=C1CO CS-0028786 [0,2,0,0,0,0|0,0,0]=2 535 B11R1.53 O=CC1=CC=CC=C1C(=O)O CS-D1667 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.156 CC(=O)C1=C(O)C=CC=C1O CS-W019984 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.156 CC(O)C1=C(F)C=CC=C1Br CS-0042061 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.156 CC1=C(C(=O)O)C(Br)=CC=C1 CS-W007644 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.156 CC1=C(C(=O)O)C(F)=CC=C1 CS-W004739 [0,2,0,0,0,0|0,0,0]=2 540 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O CS-M3425 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.156 CC1=NC=NC(C)=C1C(=O)O CS-W022062 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.156 NC(=O)C1=C(F)C=CC=C1F CS-0017808 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.156 NC1=CC=CC(Br)=C1N(=O)=O CS-W014826 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O CS-D1462 [0,2,0,0,0,0|0,0,0]=2 545 B11R1.156 NC1=CC=CC(F)=C1[N+](=O)[O-] CS-W001162 [0,2,0,0,0,0|1,0,1]=4 546 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O CS-W021558 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.156 O=C(O)C1=C(Br)C=CC=C1I CS-0036113 [0,2,0,0,0,0|0,0,0]=2 548 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl CS-0063171 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl CS-W013223 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1F CS-W017484 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Cl CS-D1387 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1Cl CS-W015832 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1F CS-W018683 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.156 O=C(O)C1=C(F)C=CC=C1O CS-W008162 [0,2,0,0,0,0|0,0,0]=2 555 B11R1.156 O=C(O)C1=C(F)N=CC=C1I CS-0041297 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.156 O=C(O)C1=C(I)C=CC=C1Cl CS-W019356 [0,2,0,0,0,0|0,0,0]=2 557 B11R1.156 O=C(O)C1=C(O)C=CC=C1Cl CS-W018603 [0,2,0,0,0,0|0,0,0]=2 558 B11R1.156 O=[N+]([O-])C1=C(Br)C=CC=C1Br CS-0097947 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.156 O=[N+]([O-])C1=C(Br)C=CC=C1O CS-0042077 [0,2,0,0,0,0|1,0,1]=4 560 B11R1.156 O=[N+]([O-])C1=C(F)C=CC=C1F CS-W002503 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.156 O=[N+]([O-])C1=C(I)C=CC=C1F CS-0041298 [0,2,0,0,0,0|1,0,1]=4 562 B11R1.156 O=[N+]([O-])C1=C(I)C=CC=C1O CS-0102003 [0,2,0,0,0,0|1,0,1]=4 563 B11R1.156 OB(O)C1=C(O)C=CC=C1F CS-0043300 [0,2,0,0,0,0|1,0,1]=4 564 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 CS-W005743 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.159 CC(=O)C1=CC=CC(N)=C1O CS-W019401 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br CS-0096140 [0,2,0,0,0,0|1,0,0]=3 567 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl CS-0040466 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.159 CC1=C(F)C=CC=C1B(O)O CS-W018063 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.159 CC1=C(I)C(C(=O)O)=CC=C1 CS-W007789 [0,2,0,0,0,0|0,0,0]=2 570 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 CS-W013297 [0,2,0,0,0,0|0,0,0]=2 571 B11R1.159 CC1=C(O)C=CC=C1C(=O)O CS-W019788 [0,2,0,0,0,0|0,0,0]=2 572 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1F CS-W020106 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.159 CC1=C([N+](=O)[O-])C=CC=C1O CS-0000004 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1F CS-W003056 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1I CS-0041329 [0,2,0,0,0,0|1,0,1]=4 576 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1N CS-W007456 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1O CS-W002156 [0,2,0,0,0,0|1,0,1]=4 578 B11R1.159 CN1C=CC=C(C(=O)O)C1=O CS-0038255 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 CS-W019179 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F CS-0107664 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 CS-W019562 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.159 NC1=C([N+](=O)[O-])C=CC=C1Cl CS-0027051 [0,2,0,0,0,0|1,0,1]=4 583 B11R1.159 NC1=NC=NC(C(=O)O)=C1Cl CS-0006082 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 CS-W013224 [0,2,0,0,0,0|0,0,0]=2 585 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 CS-D0897 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CS-W007859 [0,2,0,0,0,0|0,0,0]=2 587 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 CS-D0957 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 CS-W016189 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 CS-W004936 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 CS-W016244 [0,2,0,0,0,0|0,0,0]=2 591 B11R1.159 O=C(O)C1=CC=CC(=O)N1O CS-W019344 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br CS-0028785 [0,2,0,0,0,0|0,0,0]=2 593 B11R1.159 O=N(=O)C1=C(Br)C(O)=CC=C1 CS-W005430 [0,2,0,0,0,0|1,0,1]=4 594 B11R1.159 O=N(=O)C1=CC=CC(Cl)=C1O CS-W008347 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.159 O=[N+]([O-])C1=C(Br)C(Cl)=CC=C1 CS-0028770 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.159 O=[N+]([O-])C1=C(Cl)C(O)=CC=C1 CS-B0020 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.159 O=[N+]([O-])C1=C(F)C(Cl)=CC=C1 CS-W017435 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.159 O=[N+]([O-])C1=C(I)C(Cl)=CC=C1 CS-0041171 [0,2,0,0,0,0|1,0,1]=4 599 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1Br CS-0060301 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1O CS-W017977 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.159 OB(O)C1=C(Cl)C(F)=CC=C1 CS-W008073 [0,2,0,0,0,0|1,0,1]=4 602 B11R1.159 OB(O)C1=C(F)C(Br)=CC=C1 CS-W014779 [0,2,0,0,0,0|1,0,1]=4 603 B11R1.159 OB(O)C1=C(F)C(I)=CC=C1 CS-W009448 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.159 OB(O)C1=CC=CC(Br)=C1Cl CS-0107814 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.159 OB(O)C1=CC=CC(Cl)=C1Cl CS-D1007 [0,2,0,0,0,0|1,0,1]=4 606 B11R1.159 OB(O)C1=CC=CC(O)=C1F CS-B1249 [0,2,0,0,0,0|1,0,1]=4 607 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS-M0222 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS-W005413 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 CS-W007495 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Br CS-0031412 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.167 CC(=O)C1=CC(F)=CC=C1C CS-0086807 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.167 CC(=O)C1=CC(N)=CC=C1F CS-W007111 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS-W019672 [0,2,0,0,0,0|0,0,0]=2 614 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 CS-0061187 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS-W007887 [0,2,0,0,0,0|0,0,0]=2 616 B11R1.167 CC1=CC(B(O)O)=C(Cl)C=C1 CS-W017680 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 CS-D0579 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS-W014909 [0,2,0,0,0,0|0,0,0]=2 619 B11R1.167 CC1=CC([N+](=O)[O-])=C(C)C=C1 CS-W021287 [0,2,0,0,0,0|1,0,1]=4 620 B11R1.167 CC1=CC([N+](=O)[O-])=C(I)C=C1 CS-W002146 [0,2,0,0,0,0|1,0,1]=4 621 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 CS-W021878 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] CS-W022097 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=N1 CS-0063424 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.167 CC1=CC=C(F)C([N+](=O)[O-])=C1 CS-W002019 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.167 CC1=CC=C(I)C=C1[N+](=O)[O-] CS-W002239 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.167 C[C@H](O)C1=CC(F)=CC=C1I CS-0078600 [0,2,0,0,0,0|1,0,1]=4 627 B11R1.167 NC(=O)C1=CC(Br)=CC=C1I CS-0094295 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.167 NC(=O)C1=CC(Br)=CC=C1N CS-W008987 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1Cl CS-W002511 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=N1 CS-W005263 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 CS-W014871 [0,2,0,0,0,0|0,0,0]=2 632 B11R1.167 NC1=CC([N+](=O)[O-])=C(Br)C=C1 CS-W022105 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O CS-W009053 [0,2,0,0,0,0|0,0,0]=2 634 B11R1.167 NC1=CC=C(Br)C=C1[N+](=O)[O-] CS-W007476 [0,2,0,0,0,0|1,0,1]=4 635 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O CS-D1641 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.167 NC1=CC=C(F)C([N+](=O)[O-])=C1 CS-W019572 [0,2,0,0,0,0|1,0,1]=4 637 B11R1.167 NC1=CC=C(F)C=C1[N+](=O)[O-] CS-W014364 [0,2,0,0,0,0|1,0,1]=4 638 B11R1.167 NC1=CC=C(I)C([N+](=O)[O-])=C1 CS-0102817 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.167 NC1=CC=C(O)C=C1[N+](=O)[O-] CS-D1352 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.167 NC1=CN=C(Cl)N=C1C(=O)O CS-0062149 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.167 NC1=NC=C(Cl)N=C1C(=O)O CS-W021842 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.167 NC1=NC=C(I)C=C1C(=O)O CS-0005555 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 CS-0005553 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 CS-W012888 [0,2,0,0,0,0|0,0,0]=2 645 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 CS-W019535 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 CS-W007407 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 CS-W007541 [0,2,0,0,0,0|0,0,0]=2 648 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 CS-W009762 [0,2,0,0,0,0|0,0,0]=2 649 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F CS-W008695 [0,2,0,0,0,0|0,0,0]=2 650 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Br CS-W004954 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.167 O=C(O)C1=CC(F)=CC=C1F CS-W020593 [0,2,0,0,0,0|0,0,0]=2 652 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br CS-0101645 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.167 O=C(O)C1=CC(F)=NC=C1F CS-0035440 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br CS-0030478 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.167 O=C(O)C1=NC(F)=CC=C1F CS-0094698 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.167 O=N(=O)C1=C(O)C=CC(Br)=C1 CS-W007763 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.167 O=[N+]([O-])C1=CC(Br)=CC=C1F CS-W001134 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.167 O=[N+]([O-])C1=CC(Br)=CC=C1I CS-W009088 [0,2,0,0,0,0|1,0,1]=4 659 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CC=C1Br CS-W002148 [0,2,0,0,0,0|1,0,1]=4 660 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CC=C1I CS-W022132 [0,2,0,0,0,0|1,0,1]=4 661 B11R1.167 O=[N+]([O-])C1=CC(F)=CC=C1Br CS-W002267 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.167 O=[N+]([O-])C1=CC(O)=CC=C1Br CS-W008975 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.167 O=[N+]([O-])C1=CC(O)=CC=C1F CS-W004934 [0,2,0,0,0,0|1,0,1]=4 664 B11R1.167 OB(O)C1=C(Cl)C=CC(F)=C1 CS-0043740 [0,2,0,0,0,0|1,0,1]=4 665 B11R1.167 OB(O)C1=CC(Br)=CC=C1Br CS-W020403 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.167 OB(O)C1=CC(Cl)=CC=C1Cl CS-D1009 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.167 OB(O)C1=CC(F)=CC=C1F CS-0007591 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.167 OB(O)C1=CC(O)=CC=C1Cl CS-0102208 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 CS-0041765 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS-D0955 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.74 CC1=CC(N)=CC(N(=O)=O)=C1 CS-W006259 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 CS-0030557 [0,2,0,0,0,0|0,0,0]=2 673 B11R1.74 CC1=CC(O)=CC([N+](=O)[O-])=C1 CS-0028791 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 CS-0044230 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 CS-0059195 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.74 NC1=CC(Br)=CC([N+](=O)[O-])=C1 CS-W021875 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 CS-W016258 [0,2,0,0,0,0|0,0,0]=2 678 B11R1.74 NC1=CC([N+](=O)[O-])=CC(Cl)=C1 CS-W007288 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS-W004992 [0,2,0,0,0,0|0,0,0]=2 680 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 CS-W016212 [0,2,0,0,0,0|0,0,0]=2 681 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 CS-0094290 [0,2,0,0,0,0|0,0,0]=2 682 B11R1.74 O=[N+]([O-])C1=CC(Br)=CC(Br)=C1 CS-W001101 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 CS-D1010 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.74 OB(O)C1=CC(Cl)=CC(O)=C1 CS-0043765 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 CS-0044005 [0,2,0,0,0,0|0,0,0]=2 686 B11R1.266 C#CC1=CC=CC([N+](=O)[O-])=C1 CS-W004347 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.266 COC1=CC(C(=O)O)=CC=N1 CS-D0186 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS-W005027 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.266 COC1=CC(C(C)=O)=CC=C1 CS-W020599 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.266 CSC1=CC(B(O)O)=CC=C1 CS-D1040 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.266 N#CC1=CC=CC([N+](=O)[O-])=C1 CS-0059137 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 CS-W006242 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 CS-0067117 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.266 O=C(O)C1=NC=CC(CO)=C1 CS-0100548 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.5 NC1=CC=CC=CC1=O CS-0060480 [0,0,1,1,0,0|2,0,0]=4 697 B9R2.50 C1=CC=C2CCC2=C1 CS-W016636 [1,0,0,1,0,0|1,0,1]=4 698 B11R2.10 BrC1=NC2=CC=CC=C2N1 CS-B1157 [0,0,0,1,0,1|2,0,0]=4 699 B11R2.10 BrC1=NC2=CC=CC=C2S1 CS-W004686 [0,0,0,1,0,1|1,1,0]=4 700 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [0,0,0,1,0,1|1,1,0]=4 701 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [0,0,0,1,0,1|2,0,0]=4 702 B11R2.10 CC1=NC2=NC=CC=C2O1 CS-W023072 [0,0,0,1,0,1|2,0,0]=4 703 B11R2.10 ClC1=NC2=CC=CC=C2S1 CS-W017711 [0,0,0,1,0,1|1,1,0]=4 704 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [0,0,0,1,0,1|1,0,0]=3 705 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS-0005597 [0,0,0,1,0,1|2,0,0]=4 706 B11R2.10 NC1=NC2=CC=CC=C2N1 CS-D1373 [0,0,0,1,0,1|2,0,0]=4 707 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,0,0,1,0,1|0,0,0]=2 708 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [0,0,0,1,0,1|2,0,0]=4 709 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [0,0,0,1,0,1|2,0,0]=4 710 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [0,0,0,1,0,1|0,1,0]=3 711 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [0,0,0,1,0,1|1,0,0]=3 712 B11R2.10 OC1=CC2=C(N=CC=C2)N1 CS-0044054 [0,0,0,1,0,1|2,0,0]=4 713 B11R2.10 OC1=NC2=C(C1)N=CC=C2 CS-0044058 [0,0,0,1,0,1|2,0,0]=4 714 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [0,0,0,1,0,1|1,0,1]=4 715 B11R2.10 S=C1NC2=NC=CC=C2O1 CS-0081565 [0,0,0,1,0,1|1,1,0]=4 716 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [0,0,0,1,0,1|0,1,0]=3 717 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [0,1,0,1,0,0|1,1,0]=4 718 B11R2.1 CC1=NNC2=C1C=CC=C2 CS-W019873 [0,1,0,1,0,0|2,0,0]=4 719 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS-W019471 [0,1,0,1,0,0|1,0,0]=3 720 B11R2.1 ClC1=NSC2=CC=CC=C21 CS-W016032 [0,1,0,1,0,0|1,1,0]=4 721 B11R2.1 O=C1NN=C2C=CC=CN12 CS-0046232 [0,1,0,1,0,0|2,0,0]=4 722 B11R2.1 O=C1OCC2=NC=CC=C12 CS-0030457 [0,1,0,1,0,0|1,0,0]=3 723 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [0,1,0,1,0,0|1,0,1]=4 724 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [0,1,0,1,0,0|1,0,0]=3 725 B11R2.1 OC1=NNC2=C1C=CC=N2 CS-0044051 [0,1,0,1,0,0|2,0,0]=4 726 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [0,1,0,1,0,0|0,1,0]=3 727 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [0,1,0,1,0,0|1,0,1]=4 728 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.1 O=CC1=CNC=C1 CS-D1061 [1,0,0,0,1,0|1,0,0]=3 730 B7R1.1 O=CC1=CNC=N1 CS-D1058 [1,0,0,0,1,0|2,0,0]=4 731 B7R1.1 O=CC1=COC=C1 CS-M0782 [1,0,0,0,1,0|1,0,0]=3 732 B7R1.1 O=CC1=CSC=N1 CS-W007683 [1,0,0,0,1,0|2,0,0]=4 733 B7R1.1 O=CC1=NC=CN1 CS-W007321 [1,0,0,0,1,0|2,0,0]=4 734 B7R1.1 OCC1=COC=C1 CS-W007708 [1,0,0,0,1,0|1,0,1]=4 735 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,2|1,0,0]=3 736 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,0,2|1,0,0]=3 737 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,0,2|0,0,0]=2 738 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,0,2|1,0,0]=3 739 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,0,2|1,0,0]=3 740 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [0,0,0,0,0,2|1,0,1]=4