0 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS-0033728 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 CS-W008589 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(=O)C1=CSC(N)=N1 CS-0031411 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS-0058686 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS-W002641 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC1=CC=C(C(=O)O)S1 CS-W004720 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=CSC(C(=O)O)=N1 CS-W008124 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.35 CN1C=C(B(O)O)C=N1 CS-W004683 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 N=C1NN=C(C(=O)O)N1 CS-W004714 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 NC(=O)C1=CC=C(Br)S1 CS-W015353 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 NC(=O)C1=CSC(Br)=N1 CS-0054970 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS-B0139 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS-W005615 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 O=C(O)C1=CN=C(Br)S1 CS-D0331 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CS-B1388 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 O=C(O)C1=COC(Cl)=N1 CS-W021675 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.35 O=C(O)C1=CSC(Br)=C1 CS-D0428 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.35 O=C(O)C1=NC(Br)=CS1 CS-W006047 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CC1=CC(CO)=NO1 CS-W013653 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.1 CC1=NC(CO)=CS1 CS-0045367 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.1 CN1C=C(C=O)C=N1 CS-W019871 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.1 N#CC1=CSC(Cl)=C1 CS-0040860 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 NC1=NC=C(C=O)S1 CS-W019930 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.1 O=CC1=CC(Br)=CS1 CS-W005050 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 O=CC1=CC(I)=CS1 CS-0041659 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.1 O=CC1=CSC(Br)=N1 CS-W010715 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.7 O=C(O)C1=COC=N1 CS-W019634 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.7 O=C(O)C1=CSC=N1 CS-W009228 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 O=C(O)C1=CSN=N1 CS-0038011 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.14 COC(=O)C1=CC(=N)NN1 CS-W006219 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.14 COC(=O)C1=CC(=O)NN1 CS-W000696 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS-W007392 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS-W022849 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.14 COC(=O)C1=CC=C(C)O1 CS-W005869 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.14 COC(=O)C1=CN(C)C=N1 CS-W023129 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.14 COC(=O)C1=COC(C)=C1 CS-W022870 [0,1,0,0,0,0|0,1,0]=2 47 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS-W006609 [0,1,0,0,0,0|2,1,0]=4 48 B10R1.14 COC(=O)C1=NC=C(C)S1 CS-W019330 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.31 CC(=O)C1=CNC(C=O)=C1 CS-0095973 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.31 O=CC1=CC(B(O)O)=CS1 CS-W016246 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.59 CC1=C(C(=O)O)OC(Br)=C1 CS-0102950 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 CS-W008454 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 CS-0072383 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 CS-0041434 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 CS-0030487 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.194 CC1=C(C)C(C(=O)O)=NN1 CS-W006059 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.194 CN1N=CC(C(=O)O)=C1Br CS-0045239 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.194 CN1N=CC(C(=O)O)=C1Cl CS-0063952 [0,1,0,0,0,0|2,0,0]=3 59 B8R0.28 CN(C)C\C=C\C(=O)O CS-M0298 [0,0,1,0,0,0|2,0,1]=4 60 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 CS-W021203 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [0,0,0,0,0,1|2,0,0]=3 67 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS-W009284 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [0,0,0,0,0,1|1,0,0]=2 70 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS-0007012 [0,0,0,0,0,1|1,0,0]=2 71 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS-W016511 [0,0,0,0,0,1|1,0,0]=2 72 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.13 O=C(O)C1=CN=C(O)N=C1 CS-0044024 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS-W008708 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS-W018782 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS-W005396 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS-B0945 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.54 CC1=CN(CC(=O)O)N=C1 CS-0044023 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.54 CC1=NC(CC(=O)O)=CS1 CS-0037814 [0,0,0,0,0,1|1,0,0]=2 83 B10R1.54 CC1=NC=C(CC(=O)O)S1 CS-B1136 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.54 CC1=NNC(CC(=O)O)=N1 CS-B0653 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0011440 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS-0042604 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS-W007381 [0,0,0,0,0,1|2,0,1]=4 93 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 CS-0050212 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [0,0,0,0,0,1|2,0,0]=3 96 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 CS-W007003 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.113 O=C1C=C(C(=O)O)N=CN1 CS-W019789 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.113 O=C1CC(C(=O)O)=CC=N1 CS-0046247 [0,0,0,0,0,1|2,0,1]=4 102 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,1,0,0,0|0,1,1]=4 103 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,0,1,0,0,0|2,0,0]=4 104 B7R1.1 BrCC1=CSC=C1 CS-0019157 [2,0,0,0,0,0|1,0,1]=4 105 B7R1.1 COC1=CSC=C1 CS-W008023 [2,0,0,0,0,0|2,0,0]=4 106 B7R1.1 O=CC1=CNC=C1 CS-D1061 [2,0,0,0,0,0|1,0,0]=3 107 B7R1.1 O=CC1=CNC=N1 CS-D1058 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.1 O=CC1=COC=C1 CS-M0782 [2,0,0,0,0,0|0,1,0]=3 109 B7R1.1 O=CC1=CSC=N1 CS-W007683 [2,0,0,0,0,0|1,0,0]=3 110 B7R1.1 OCC1=COC=C1 CS-W007708 [2,0,0,0,0,0|0,1,1]=4 111 B7R1.2 BrC1=CSC(Br)=C1 CS-M0432 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [2,0,0,0,0,0|1,0,1]=4 113 B7R1.2 CC1=NC(Br)=CS1 CS-0044498 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.22 CC1=CC(C#N)=C(N)S1 CS-W016489 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.22 CC1=CC(C)=C(C=O)N1 CS-W007816 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.22 CC1=NN(C)C=C1C=O CS-W019994 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.11 COC(=O)C1=CNN=C1 CS-W005446 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.41 CC1=C(C(=O)O)C=CO1 CS-0095991 [1,1,0,0,0,0|0,1,0]=3 122 B9R1.41 CC1=C(C(=O)O)N=CS1 CS-W004929 [1,1,0,0,0,0|1,0,0]=3 123 B9R1.41 CC1=C(C(=O)O)NC=C1 CS-0036145 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.41 CC1=C(C(=O)O)OC=C1 CS-0059276 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.41 CC1=C(C(=O)O)OC=N1 CS-W008834 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.41 CC1=NNC=C1C(=O)O CS-D0839 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.41 NC(=O)C1=CSC=C1Br CS-0086828 [1,1,0,0,0,0|1,0,0]=3 128 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS-W005652 [1,1,0,0,0,0|0,0,0]=2 129 B9R1.41 O=C(O)C1=NSN=C1Cl CS-0101209 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.41 OB(O)C1=C(Cl)SC=C1 CS-0031356 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 CS-W007654 [0,1,0,0,0,1|1,0,1]=4 132 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS-0030581 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 CS-0045745 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.3 COC1=CC=C(C(N)=O)C=C1 CS-W022205 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS-W019666 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 CS-0063816 [0,1,0,0,0,1|1,0,0]=3 137 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 CS-D1546 [0,1,0,0,0,1|1,0,0]=3 138 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W018098 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS-W018162 [0,1,0,0,0,1|1,0,1]=4 140 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-0038697 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D0217 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-D1126 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W005880 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W006139 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W022910 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.19 CC1=NC=C(S(=O)(=O)O)C=C1 CS-W006199 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS-W007779 [0,1,0,0,0,1|1,0,0]=3 148 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS-0032913 [0,1,0,0,0,1|1,0,0]=3 149 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS-W019905 [0,1,0,0,0,1|1,0,0]=3 150 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 CS-0043478 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS-W022384 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS-W010963 [0,1,0,0,0,1|1,0,0]=3 153 B11R1.21 CC1=CC(C(=O)O)=CC=C1N CS-W018121 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS-D1645 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.21 CC1=CC=C(C(=O)O)C=C1C CS-W018150 [0,1,0,0,0,1|1,0,0]=3 156 B11R1.21 CC1=CC=C(C(=O)O)C=C1I CS-W020661 [0,1,0,0,0,1|1,0,0]=3 157 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br CS-W007217 [0,1,0,0,0,1|1,0,0]=3 158 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 CS-W022442 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 CS-W014872 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS-W008331 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS-W016253 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl CS-W020673 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.21 NC1=CC=C(C(=O)O)C=C1O CS-W002114 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.21 O=C(O)C1=CC(Br)=C(Br)N=C1 CS-0041188 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS-W006144 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 CS-W007398 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS-W008099 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS-W014591 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CS-0060337 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 CS-W014369 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS-W008049 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 CS-W009127 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 CS-0038628 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS-W004846 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 CS-B1786 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS-W007781 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.22 COC(=O)C1=CC=C(F)N=C1 CS-W008583 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS-W007583 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS-W009283 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS-M0627 [0,1,0,0,0,1|1,0,0]=3 181 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS-W008071 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.22 COC(=O)C1=CNC(=O)C=N1 CS-M3260 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS-W006118 [0,1,0,0,0,1|1,0,0]=3 184 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 CS-W018846 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS-0018830 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS-W009245 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [0,1,0,0,0,1|1,0,0]=3 188 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS-W005794 [0,1,0,0,0,1|1,0,0]=3 189 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O CS-W008346 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.166 CC1=CC(F)=CC=C1C(=O)O CS-0020153 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 CS-B0702 [0,1,0,0,0,1|1,0,0]=3 192 B11R1.166 NC1=C(C(=O)O)N=CC(Br)=C1 CS-W013163 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O CS-D1675 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.166 NC1=CC(O)=CC=C1C(=O)O CS-0096257 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O CS-B0235 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS-W010056 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=N1 CS-W006913 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS-W008439 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS-W014051 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS-W008186 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F CS-M3187 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I CS-0067143 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.166 O=C(O)C1=CC=C(F)C=C1Cl CS-D1753 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.166 O=C(O)C1=CC=C(F)N=C1F CS-0091204 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.166 O=C(O)C1=CNC(=S)NC1=O CS-0045608 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br CS-0041189 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 CS-W007467 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 CS-W008679 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 CS-0019209 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 CS-W006602 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.23 COC(=O)C1=CC(F)=CC=C1 CS-W019585 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.23 COC(=O)C1=CC(F)=NC=C1 CS-0043947 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS-W004679 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.23 COC(=O)C1=CC(N)=CN=C1 CS-W018097 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 CS-B1792 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.23 COC(=O)C1=CC=CC(O)=C1 CS-B0668 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.23 COC(=O)C1=CN=CC(C)=N1 CS-0061379 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS-D1409 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS-W009166 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.23 COC(=O)C1=NC=CC(C)=C1 CS-0040863 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS-W008964 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.23 COC(=O)C1=NC=CC(N)=C1 CS-W001627 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS-D0955 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 CS-0030557 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 CS-0044230 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.74 NC1=CC(C(=O)O)=CC(F)=C1 CS-W016258 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS-W004992 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 CS-W016212 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 CS-0094290 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.159 CC1=C(C(=O)O)C=CN=C1Br CS-0096140 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.159 CC1=C(C(=O)O)C=CN=C1Cl CS-0040466 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.159 CC1=C(I)C(C(=O)O)=CC=C1 CS-W007789 [0,1,0,0,0,1|1,0,0]=3 233 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 CS-W013297 [0,1,0,0,0,1|1,0,0]=3 234 B11R1.159 CC1=C(O)C=CC=C1C(=O)O CS-W019788 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.159 CN1C=CC=C(C(=O)O)C1=O CS-0038255 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 CS-W019562 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.159 NC1=NC=NC(C(=O)O)=C1Cl CS-0006082 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 CS-W013224 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 CS-D0897 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 CS-W007859 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 CS-D0957 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 CS-W016189 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 CS-W004936 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 CS-W016244 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.159 O=C(O)C1=CC=CC(I)=C1Br CS-0028785 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 CS-W019672 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=N1 CS-0061187 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 CS-W007887 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS-W014909 [0,1,0,0,0,1|1,0,0]=3 250 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 CS-W021878 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.167 CC1=CC=C(Cl)C(C(=O)O)=N1 CS-0063424 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 CS-W014871 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O CS-W009053 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.167 NC1=NC=C(I)C=C1C(=O)O CS-0005555 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 CS-0005553 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 CS-W012888 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 CS-W007407 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 CS-W007541 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 CS-W009762 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F CS-W008695 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Br CS-W004954 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.167 O=C(O)C1=CC(F)=CC=C1F CS-W020593 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br CS-0101645 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.167 O=C(O)C1=CC(F)=NC=C1F CS-0035440 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 CS-0044005 [0,1,0,0,0,1|1,0,1]=4 266 B11R1.266 COC1=CC(C(=O)O)=CC=N1 CS-D0186 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS-W005027 [0,1,0,0,0,1|1,0,0]=3 268 B11R1.266 COC1=CC(C(C)=O)=CC=C1 CS-W020599 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.266 N#CC1=NC=CC(C(=O)O)=C1 CS-W006242 [0,1,0,0,0,1|1,0,1]=4 271 B11R1.266 O=C(O)C1=CC=CC(CO)=C1 CS-0067117 [0,1,0,0,0,1|1,0,0]=3 272 B11R1.266 O=C(O)C1=NC=CC(CO)=C1 CS-0100548 [0,1,0,0,0,1|1,0,0]=3 273 B11R1.15 CCOC(=O)C1=CC=C(C)N1 CS-D1590 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.15 CCOC(=O)C1=CN(C)N=C1 CS-0037203 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.15 CCOC(=O)C1=CN=C(C)S1 CS-W005912 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.15 CCOC(=O)C1=COC(C)=N1 CS-W006477 [0,2,0,0,0,0|1,1,0]=4 277 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 CS-W006091 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 CS-W009137 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 CS-0006056 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS-W009280 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.44 COC(=O)C1=CSC(C=O)=C1 CS-D0187 [0,2,0,0,0,0|0,0,1]=3 282 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 CS-0038238 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.225 COC(=O)C1=C(C)SC(Br)=N1 CS-0054983 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.225 COC(=O)C1=C(Cl)SC(N)=N1 CS-W006611 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 CS-D0235 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 CS-W020012 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.2 CC1=CC=CC(C=O)=C1 CS-0007820 [1,0,0,0,0,1|1,0,0]=3 288 B9R1.2 CC1=CN=CC(CO)=C1 CS-0040539 [1,0,0,0,0,1|1,0,1]=4 289 B9R1.2 O=CC1=CC(=O)NC=C1 CS-0006441 [1,0,0,0,0,1|2,0,0]=4 290 B9R1.2 O=CC1=CC(Br)=NC=C1 CS-W007762 [1,0,0,0,0,1|2,0,0]=4 291 B9R1.2 O=CC1=CC(I)=CC=C1 CS-W007699 [1,0,0,0,0,1|2,0,0]=4 292 B9R1.2 O=CC1=CC=CC(Br)=C1 CS-W009197 [1,0,0,0,0,1|2,0,0]=4 293 B9R1.2 O=CC1=CN=CC(F)=C1 CS-W018621 [1,0,0,0,0,1|2,0,0]=4 294 B9R1.2 O=CC1=NC=CC(Br)=C1 CS-W004857 [1,0,0,0,0,1|2,0,0]=4 295 B9R1.13 O=C(O)CN1C=CN=C1 CS-W011164 [1,0,0,0,0,1|2,0,0]=4 296 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [0,0,0,0,0,2|1,0,0]=3 297 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [0,0,0,0,0,2|2,0,0]=4 298 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [0,0,0,0,0,2|2,0,0]=4 299 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 CS-0102175 [0,0,0,0,0,2|2,0,0]=4 300 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,0,0,0,0,2|2,0,0]=4 301 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,0,0,0,0,2|2,0,0]=4