0 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 NC(=S)NC1=NC=CC=C1 CS-W018070 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040300 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040396 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-D1532 [0,1,0,0,0,0|3,0,0]=4 30 B11R2.10 BrC1=NC2=CC=CC=C2N1 CS-B1157 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.10 BrC1=NC2=CC=CC=C2S1 CS-W004686 [0,0,0,1,0,0|2,1,0]=4 32 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [0,0,0,1,0,0|1,1,1]=4 33 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.10 CC1=NC2=NC=CC=C2O1 CS-W023072 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.10 ClC1=NC2=CC=CC=C2S1 CS-W017711 [0,0,0,1,0,0|2,1,0]=4 36 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [0,0,0,1,0,0|2,0,0]=3 37 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS-0005597 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.10 NC1=NC2=CC=CC=C2N1 CS-D1373 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [0,0,0,1,0,0|0,0,0]=1 40 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [0,0,0,1,0,0|1,1,0]=3 43 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [0,0,0,1,0,0|2,0,0]=3 44 B11R2.10 OC1=CC2=C(N=CC=C2)N1 CS-0044054 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.10 OC1=NC2=C(C1)N=CC=C2 CS-0044058 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.10 OC1CC2=CC=CC=C2C1 CS-W004877 [0,0,0,1,0,0|1,0,1]=3 47 B11R2.10 S=C1NC2=NC=CC=C2O1 CS-0081565 [0,0,0,1,0,0|2,1,0]=4 48 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [0,0,0,1,0,0|1,1,0]=3 49 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [0,0,0,0,1,0|2,0,1]=4 54 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [0,0,0,0,1,0|1,0,1]=3 55 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [0,0,0,0,1,0|2,0,1]=4 56 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [0,0,0,0,1,0|1,0,0]=2 57 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [0,0,0,0,1,0|0,0,1]=2 59 B9R1.6 OB(O)C1=CC=NC=C1 CS-D1206 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.13 O=C(O)CN1C=CN=C1 CS-W011164 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.13 O=C(O)CN1C=CN=N1 CS-0037924 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [0,0,0,0,0,1|1,0,1]=3 63 B11R1.91 N=C(O)OCC1=CC=CC=C1 CS-W004984 [0,0,0,0,0,1|1,0,0]=2 64 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [0,0,0,0,0,1|0,0,0]=1 65 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [0,0,0,0,0,1|1,0,0]=2 66 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [0,0,0,0,0,1|1,0,1]=3 67 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [0,0,0,0,0,1|1,0,2]=4 68 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.2 OCC1=CC=CN=C1 CS-4356 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 OCC1=NN=CC=C1 CS-W005032 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS-W008769 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 N#CCC1=CC=C(I)C=C1 CS-W005301 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0043692 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [1,1,0,0,0,0|0,0,1]=3 87 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.4 ClC1=CC=CC=C1CCBr CS-0081877 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.4 N#CCC1=CC=CC=C1F CS-W013356 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.4 N#CCC1=CC=CC=C1N CS-W008009 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.4 NOCC1=CC=CC=C1F CS-0098085 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.4 OCCC1=CC=CC=C1Cl CS-W017988 [1,1,0,0,0,0|0,0,1]=3 97 B10R1.4 OCCC1=CC=CC=C1I CS-0045354 [1,1,0,0,0,0|0,0,1]=3 98 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [1,1,0,0,0,0|0,0,1]=3 99 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [1,1,0,0,0,0|0,0,1]=3 101 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [1,1,0,0,0,0|0,0,1]=3 106 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [0,1,0,0,1,0|1,0,1]=4 115 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [0,1,0,0,1,0|1,0,1]=4 116 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS-0007012 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS-W016511 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-W002389 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-0102805 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-W017476 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS-W019509 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 CS-D1388 [0,1,0,0,1,0|1,1,0]=4 129 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.13 O=C(O)C1=CN=C(O)N=C1 CS-0044024 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS-W008708 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS-W018782 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS-B0945 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 CS-0055735 [0,1,0,0,1,0|1,0,1]=4 137 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS-D1133 [0,1,0,0,1,0|1,0,1]=4 138 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [0,1,0,0,1,0|1,0,1]=4 139 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [0,1,0,0,1,0|1,0,1]=4 140 B10R1.61 CC(=O)C1=C(F)C=NC=C1 CS-W021221 [0,1,0,0,1,0|2,0,0]=4 141 B10R1.61 CC(=O)C1=C(O)C=NC=C1 CS-B0938 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [0,1,0,0,1,0|1,0,0]=3 143 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.61 CC1=CC=CC=C1C(N)=S CS-W018110 [0,1,0,0,1,0|1,1,0]=4 145 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.61 C[C@@H](O)C1=CC=CC=C1F CS-0085730 [0,1,0,0,1,0|1,0,1]=4 147 B10R1.61 N=C(N)C1=CC=CC=C1F CS-0019235 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CS-0094470 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.61 NC(=O)C1=CC=CN=C1N CS-M0989 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.61 NC(=O)C1=CC=NC=C1N CS-W005498 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.61 NC1=NC=CN=C1C(=O)O CS-W020071 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.61 NC1=NC=NC=C1C(=O)O CS-0030400 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [0,1,0,0,1,0|0,0,0]=2 156 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [0,1,0,0,1,0|0,0,0]=2 157 B10R1.61 O=C(O)C1=CC=CNC1=O CS-W018547 [0,1,0,0,1,0|1,0,0]=3 158 B10R1.61 O=C(O)C1=CN=CNC1=O CS-W022518 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.61 O=C(O)C1=CNC=CC1=O CS-W007951 [0,1,0,0,1,0|1,0,0]=3 160 B10R1.61 O=C(O)C1=NC=CNC1=O CS-W019268 [0,1,0,0,1,0|2,0,0]=4 161 B10R1.61 [C@@H](C)(O)C1=CC=CC=C1F CS-0044022 [0,1,0,0,1,0|1,0,1]=4 162 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [0,1,0,0,1,0|2,0,0]=4 163 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,1,0,0,1,0|1,0,0]=3 164 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,1,0,0,1,0|1,0,0]=3 166 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS-W007381 [0,1,0,0,1,0|1,0,1]=4 168 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 CS-D1558 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS-W018320 [0,1,0,0,1,0|1,0,1]=4 170 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 CS-0050212 [0,1,0,0,1,0|2,0,0]=4 171 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [0,1,0,0,1,0|1,0,0]=3 172 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [0,1,0,0,1,0|1,0,0]=3 173 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [0,1,0,0,1,0|0,0,0]=2 174 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 CS-W007003 [0,1,0,0,1,0|2,0,0]=4 176 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.113 O=C1C=C(C(=O)O)N=CN1 CS-W019789 [0,1,0,0,1,0|2,0,0]=4 178 B10R1.113 O=C1CC(C(=O)O)=CC=N1 CS-0046247 [0,1,0,0,1,0|1,0,1]=4 179 B10R1.113 O=N(=O)C1=CC=CC(F)=C1 CS-W018306 [0,1,0,0,1,0|1,0,1]=4 180 B10R1.27 COC(=O)CC1=CSC=C1 CS-0019239 [0,1,0,0,1,0|1,0,0]=3 181 B10R1.54 CC1=CN(CC(=O)O)N=C1 CS-0044023 [0,1,0,0,1,0|2,0,0]=4 182 B10R1.54 CC1=NC(CC(=O)O)=CS1 CS-0037814 [0,1,0,0,1,0|2,0,0]=4 183 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [0,1,0,0,1,0|2,0,0]=4 184 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0011440 [0,1,0,0,1,0|2,0,0]=4 185 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0042604 [0,1,0,0,1,0|2,0,0]=4 186 B10R1.54 O=C(O)CN1C=C(Br)C=N1 CS-D0543 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [0,1,0,0,0,1|0,0,1]=3 188 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [0,1,0,0,0,1|0,0,0]=2 189 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 CS-W021369 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [0,1,0,0,0,1|0,0,0]=2 191 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 CS-0060280 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,1,0,0,0,1|1,0,0]=3 195 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,1,0,0,0,1|0,0,0]=2 196 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,0,1|0,0,0]=2 197 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O CS-0015951 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [0,1,0,0,0,1|0,0,0]=2 201 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 CS-M0651 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 CS-M0652 [0,1,0,0,0,1|1,0,0]=3 203 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,1,0,0,0,1|0,0,0]=2 205 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,1,0,0,0,1|0,0,1]=3 206 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,1,0,0,0,1|0,0,0]=2 207 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 CS-M2865 [0,1,0,0,0,1|1,0,1]=4 208 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS-0028724 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CS-0059255 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 CS-W022071 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS-W007630 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS-W016774 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 CS-0101078 [0,2,0,0,0,0|0,0,0]=2 214 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 CS-W021404 [0,2,0,0,0,0|0,0,0]=2 215 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 CS-0059228 [0,2,0,0,0,0|0,0,0]=2 216 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS-W002237 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS-W005226 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 CS-W022748 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 CS-W021545 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O CS-0046860 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 CS-0064109 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS-W005417 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS-W007916 [0,2,0,0,0,0|0,0,0]=2 227 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F CS-W020581 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [0,2,0,0,0,0|0,0,1]=3 229 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,2,0,0,0,0|0,0,0]=2 231 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Cl CS-0031365 [0,2,0,0,0,0|0,0,0]=2 232 B12R1.124 O=C(O)C(O)C1=CC=CC=C1F CS-0059253 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 CS-0041879 [0,2,0,0,0,0|0,0,1]=3 234 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 CS-B1390 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 CS-B1332 [0,2,0,0,0,0|0,0,0]=2 236 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 CS-W010811 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 CS-B1389 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 CS-M3531 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.75 COC1=CC=CC=C1CC(C)=O CS-W017906 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.75 NCC1=CC=CC=C1CC(=O)O CS-W023054 [0,2,0,0,0,0|0,0,0]=2 249 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS-W016088 [0,2,0,0,0,0|0,0,0]=2 250 B12R1.127 CC1=CC=C(Br)C=C1CC(=O)O CS-W021418 [0,2,0,0,0,0|0,0,0]=2 251 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 CS-0042984 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1F CS-0094802 [0,2,0,0,0,0|0,0,0]=2 253 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1O CS-0060200 [0,2,0,0,0,0|0,0,0]=2 254 B12R1.127 O=C(O)CC1=CC(F)=CC=C1Br CS-W006988 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br CS-0041784 [0,2,0,0,0,0|0,0,0]=2 256 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl CS-W023170 [0,2,0,0,0,0|0,0,0]=2 257 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br CS-0094502 [0,2,0,0,0,0|0,0,0]=2 258 B12R1.1009 O=C(O)CC1=C(Cl)N=CN=C1Cl CS-B1394 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 CS-W016090 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 CS-M0877 [0,2,0,0,0,0|1,0,0]=3 261 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [0,0,1,1,0,0|1,0,1]=4 262 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [1,0,0,1,0,0|0,0,1]=3 263 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [1,0,0,1,0,0|0,0,1]=3 264 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [1,0,0,1,0,0|2,0,0]=4 265 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [1,0,0,1,0,0|1,0,1]=4 266 B10R2.7 C1=CC=C2OCOC2=C1 CS-W020572 [1,0,0,1,0,0|1,0,1]=4 267 B10R2.7 C1=CC=C2SC=CC2=C1 CS-D1193 [1,0,0,1,0,0|0,1,1]=4 268 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,0,1,0,1|1,0,1]=4 269 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,1|1,0,0]=3 270 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,0,1|1,0,0]=3 271 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,0,1|0,0,0]=2 272 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 CS-0005465 [0,1,0,1,0,0|1,0,0]=3 273 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 CS-W013240 [0,1,0,1,0,0|1,1,0]=4 275 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 CS-0043808 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 CS-0043986 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 CS-W019777 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.606 ClC1=CC=C2N=C(Cl)OC2=C1 CS-W019433 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 CS-0060658 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 CS-W010983 [0,1,0,1,0,0|1,0,0]=3 282 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 CS-W019442 [0,1,0,1,0,0|1,0,0]=3 283 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 CS-W005800 [0,1,0,1,0,0|1,0,0]=3 284 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 CS-0042609 [0,1,0,1,0,0|1,1,0]=4 285 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 CS-0042122 [0,1,0,1,0,0|1,0,0]=3 286 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 CS-0038220 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 CS-W022468 [0,1,0,1,0,0|1,1,0]=4 288 B12R2.606 OC1=NC2=C(C1)N=CC(Br)=C2 CS-W006294 [0,1,0,1,0,0|2,0,0]=4 289 B12R2.606 OC1=NC2=C(C=C(Br)C=C2)N1 CS-W005438 [0,1,0,1,0,0|2,0,0]=4 290 B12R2.606 OC1=NC2=C(C=C(F)C=C2)S1 CS-0043791 [0,1,0,1,0,0|1,1,0]=4 291 B12R2.606 S=C1NC2=CC=C(Cl)C=C2O1 CS-0103312 [0,1,0,1,0,0|1,1,0]=4 292 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 CS-M1396 [0,1,0,1,0,0|1,1,0]=4 293 B12R2.18 CC1=C(Br)C2=CC=CC=C2O1 CS-0061201 [0,1,0,1,0,0|1,0,1]=4 294 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O CS-0034926 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O CS-W002530 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.32 CSC1=NC2=CC=CC=C2O1 CS-W021447 [0,1,0,1,0,0|1,1,0]=4 297 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [0,1,0,1,0,0|1,0,1]=4 298 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [0,1,0,1,0,0|0,0,1]=3 299 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [0,1,0,1,0,0|0,1,1]=4 300 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CS-W013251 [0,1,0,1,0,0|1,1,0]=4 301 B12R2.32 OCC1=CC2=CC=CC=C2S1 CS-W017901 [0,1,0,1,0,0|0,1,1]=4 302 B12R2.32 OCC1=NC2=CC=CC=C2S1 CS-W017888 [0,1,0,1,0,0|1,1,0]=4 303 B12R2.32 OCC1CC2=C(C=CC=C2)C1 CS-B1058 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 CS-W022220 [0,1,0,1,0,0|1,0,0]=3 305 B12R2.202 CC1=NC2=CC=CC(Br)=C2O1 CS-W020660 [0,1,0,1,0,0|2,0,0]=4 306 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 CS-0089315 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.202 OC1CC2=C(C1)C(Br)=CC=C2 CS-0042133 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.8 OCCC1=CC=CS1 CS-W020421 [1,0,0,0,1,0|1,0,1]=4 309 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [0,0,0,0,2,0|2,0,0]=4 310 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [0,0,0,0,2,0|1,0,0]=3 311 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [0,0,0,0,2,0|2,0,0]=4 312 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [0,0,0,0,2,0|2,0,0]=4 313 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [0,0,0,0,2,0|2,0,0]=4 314 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [0,0,0,0,2,0|1,0,1]=4