0 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,0,0|1,1,0]=2 1 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,0,0|0,0,0]=0 9 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,0,0|2,1,1]=4 13 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,0,0|1,0,1]=2 15 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.7 N=C(N)C1=NC=CN1 MC102406 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.7 N=C(N)N1C=CC=N1 CS20721 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 NC(=S)C1=CN=CS1 MC113938 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.7 NC(=S)C1=CNC=N1 MC111230 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,0,0|1,1,0]=2 40 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,0,0|1,0,0]=1 41 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.7 O=[N+]([O-])C1=NC=CN1 CS14315 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.7 OB(O)C1=NC=CN1 MC20760 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.1 BrCC1=CC=CS1 MC111260 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 BrCC1=NC=CO1 MC106296 [1,0,0,0,0,0|1,1,1]=4 51 B7R1.1 BrCC1=NC=CS1 CS12090 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 Br[Zn]c1cccs1 MC121347 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 Br[Zn]c1nccs1 MC121340 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCC1=NC=CN1 CS21533 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 CNC1=NC=CS1 CS12598 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.1 COC1=NC=CS1 CS22597 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,0,0,0|1,1,0]=3 59 B7R1.1 CSC1=NN=NS1 MC112481 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 ClCC1=NC=CN1 CS20896 [1,0,0,0,0,0|2,0,1]=4 61 B7R1.1 N#CC1=CC=CS1 CS22701 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 N#CC1=NC=CS1 CS12219 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.1 NCC1=CC=CS1 CS22783 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 NCC1=NC=CS1 MC444202 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,0,0,0|1,1,0]=3 68 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,0,0,0|2,1,0]=4 70 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 O=CC1=CNN=N1 MC114304 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 OCC1=NC=CS1 MC113802 [1,0,0,0,0,0|0,0,2]=3 79 B7R1.1 OCC1=NN=CS1 MC107600 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,1,0,0,0,0|1,1,0]=3 82 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [0,1,0,0,0,0|0,0,0]=1 91 B9R1.19 C[Si](C)(C)C1=NC=CS1 MC425032 [0,1,0,0,0,0|1,1,0]=3 92 B9R1.19 NS(=O)(=O)C1=CC=CS1 CS22596 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 MC20419 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.19 O=S(=O)(Cl)C1=NN=CS1 MC114301 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,0,0|2,1,0]=4 98 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,0,0|1,1,0]=3 102 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,0,0|0,1,0]=2 108 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,0,0|2,1,0]=4 113 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.35 CC1=CN=C(B(O)O)S1 MC100716 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,0,0|1,1,0]=3 116 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,0,0|2,1,0]=4 117 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,0,0|1,1,0]=3 118 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,1,0,0,0,0|2,1,0]=4 121 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,1,0,0,0,0|2,1,0]=4 124 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,0,0|2,1,0]=4 129 B9R1.35 FC(F)C1=NC=C(Br)S1 MC104138 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,0,0|2,1,0]=4 132 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,0,0,0|1,0,0]=2 136 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,0,0|2,1,0]=4 141 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,0,0|2,1,0]=4 144 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,0,0|2,1,0]=4 147 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.35 O=C(O)C1=NNC(Br)=N1 CS12373 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 MC427527 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,0,0,0|2,0,1]=4 167 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.41 CN1C=CN=C1C(=N)N MC113031 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21952 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.41 NC(=O)C1=C(N)NC=N1 CS21953 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.41 NC(=O)C1=C(N)SC=N1 MC21008 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,1,0,0,0|3,0,0]=4 185 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,0,1|3,0,0]=4 186 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,0,1|1,0,0]=2 188 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,0,1|1,0,0]=2 189 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,0,1|2,0,0]=3 190 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,0,1|2,0,0]=3 191 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,0,1|1,0,0]=2 193 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,0,1|1,0,0]=2 194 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,0,1|1,0,0]=2 195 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,0,1|1,0,0]=2 196 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,0,0,0,0,1|2,0,1]=4 197 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,0,1|2,0,1]=4 198 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,0,1|2,0,1]=4 199 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,0,1|2,0,1]=4 200 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [0,0,0,0,0,1|2,0,1]=4 201 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [0,0,0,0,0,1|2,0,1]=4 202 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [0,0,0,0,0,1|2,0,1]=4 203 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,0,1|1,0,2]=4 204 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,0,1|1,0,2]=4 205 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.6 N=C(N)C1=NC=CC=N1 CS21214 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.6 NC(=S)C1=CC=CN=N1 CS16975 [0,0,0,0,0,1|2,1,0]=4 215 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,0,1|2,0,0]=3 219 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,0,1|2,0,0]=3 223 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,0,1|2,0,0]=3 224 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,0,1|2,0,0]=3 225 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.13 CC(=O)CN1C=NC=N1 CS13822 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.13 CC(Br)CC1=NC=CS1 MC106092 [0,0,0,0,0,1|1,0,1]=3 229 B9R1.13 CC(C)CC1=NC=CS1 CS10134 [0,0,0,0,0,1|1,0,1]=3 230 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,0,1|2,0,0]=3 231 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,0,1|2,0,0]=3 233 B9R1.13 O=C(O)CC1=NNC=N1 MC103734 [0,0,0,0,0,1|3,0,0]=4 234 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,1,0,0,0|2,0,0]=4 235 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|2,0,0]=4 236 B6R1.2 BrC1=CC=CS1 CS21414 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 BrC1=NC=CN1 CS19858 [2,0,0,0,0,0|2,0,0]=4 238 B6R1.2 BrC1=NC=CO1 MC104314 [2,0,0,0,0,0|1,1,0]=4 239 B6R1.2 BrC1=NC=CS1 CS14242 [2,0,0,0,0,0|1,0,0]=3 240 B6R1.2 BrC1=NC=NS1 CS14599 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 BrC1=NN=CS1 CS21329 [2,0,0,0,0,0|2,0,0]=4 242 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,1]=4 243 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|1,1,0]=4 244 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|1,0,0]=3 245 B6R1.2 CC1=CN=CS1 CS10460 [2,0,0,0,0,0|2,0,0]=4 246 B6R1.2 CC1=CNC=N1 MC20397 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 CC1=COC=N1 MC427478 [2,0,0,0,0,0|2,0,0]=4 248 B6R1.2 CC1=CSC=N1 CS15621 [2,0,0,0,0,0|2,0,0]=4 249 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|0,1,0]=3 250 B6R1.2 CC1=NC=CS1 CS22598 [2,0,0,0,0,0|0,0,0]=2 251 B6R1.2 CC1=NN=CO1 CS12863 [2,0,0,0,0,0|1,1,0]=4 252 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CC1=NNC=N1 CS22353 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 255 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 ClC1=NC=CO1 MC106420 [2,0,0,0,0,0|1,1,0]=4 257 B6R1.2 ClC1=NC=NS1 CS13994 [2,0,0,0,0,0|2,0,0]=4 258 B6R1.2 FC1=NC=CN1 MC430938 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 FC1=NC=CN1 MC431135 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.2 IC1=CC=CS1 CS21616 [2,0,0,0,0,0|2,0,0]=4 261 B6R1.2 IC1=NC=CN1 CS21881 [2,0,0,0,0,0|2,0,0]=4 262 B6R1.2 IC1=NC=CO1 MC103755 [2,0,0,0,0,0|1,1,0]=4 263 B6R1.2 NC1=NC=CN1 CS13716 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.2 NC1=NC=CN1 CS16946 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 NC1=NC=CO1 CS19070 [2,0,0,0,0,0|1,1,0]=4 266 B6R1.2 NC1=NC=CS1 CS16381 [2,0,0,0,0,0|1,0,0]=3 267 B6R1.2 NC1=NC=NS1 CS13953 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 NC1=NC=NS1 CS15183 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 NC1=NN=CS1 CS22505 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.2 O=C1NC=CN1 MC20853 [2,0,0,0,0,0|1,0,1]=4 271 B6R1.2 OC1=NC=CS1 CS12100 [2,0,0,0,0,0|0,0,1]=3 272 B6R1.2 SC1=NN=CS1 MC20533 [2,0,0,0,0,0|1,1,0]=4 273 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,1,0,0,0|2,0,0]=4 274 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,1,0,0,0,0|0,0,0]=2 277 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,1,0,0,0,0|1,1,0]=4 278 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,1,0,0,0,0|0,1,0]=3 279 B8R1.1 CC1=CSC(C#N)=N1 MC425479 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,1,0,0,0,0|0,0,0]=2 281 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.1 CNC1=NC(N)=CS1 MC102822 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.1 COC1=NN=C(C)S1 MC107310 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.1 N#CC1=NC(Br)=CS1 MC431677 [1,1,0,0,0,0|1,0,1]=4 287 B8R1.1 N#CC1=NC(Cl)=CS1 MC101999 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.1 N#CC1=NC=C(Br)S1 MC104139 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.1 N#CC1=NC=C(Cl)S1 MC104143 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.1 NCC1=NC=C(Br)S1 MC103526 [1,1,0,0,0,0|1,0,1]=4 292 B8R1.1 NCC1=NC=C(Br)S1 MC104137 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.1 NCC1=NC=C(Cl)S1 MC104486 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,1,0,0,0,0|1,0,1]=4 295 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,1,0,0,0,0|1,1,0]=4 296 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,1,0,0,0,0|1,0,1]=4 298 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,1,0,0,0,0|1,1,0]=4 302 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [1,1,0,0,0,0|0,0,0]=2 304 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [1,1,0,0,0,0|0,0,0]=2 305 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [1,1,0,0,0,0|0,0,0]=2 306 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [1,1,0,0,0,0|0,0,0]=2 307 B8R1.1 OCC1=NC(Br)=CS1 MC103530 [1,1,0,0,0,0|0,0,2]=4 308 B8R1.8 CCCC1=NC=CN1 CS14621 [1,1,0,0,0,0|1,0,1]=4 309 B8R1.8 COCC1=NC=CN1 MC104489 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.8 N#CCC1=NC=CS1 MC103865 [1,1,0,0,0,0|0,0,2]=4 311 B8R1.8 NCCC1=NN=CS1 MC103870 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.8 NCCC1=NN=CS1 MC104483 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.8 OCCC1=CC=CS1 CS14939 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.8 OCCC1=NC=CN1 MC431716 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.11 CN1C=CN=C1C=O CS17882 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.11 CN1N=CN=C1C=O MC106469 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.11 NC1=C(C=O)SC=C1 CS14842 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.11 O=CC1=C(Br)C=CN1 MC104759 [1,1,0,0,0,0|1,0,1]=4 320 B8R1.11 O=CC1=C(Br)C=CS1 CS17288 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.11 O=CC1=C(Cl)C=CN1 MC104757 [1,1,0,0,0,0|1,0,1]=4 323 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.11 O=CC1=C(F)C=CS1 MC429390 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,0,1|1,0,0]=3 330 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,0,1|1,0,0]=3 335 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,0,1|1,0,0]=3 338 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,0,1|1,0,0]=3 339 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,0,1|1,0,0]=3 342 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,0,1|1,0,0]=3 345 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,1,0,0,0,1|1,0,0]=3 347 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [0,1,0,0,0,1|1,0,0]=3 392 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [0,1,0,0,0,1|1,0,0]=3 395 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [0,1,0,0,0,1|1,0,0]=3 396 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,1,0,0,0,1|1,0,0]=3 399 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.15 NNC(=O)C1=NC=CN=C1 CS18472 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,1,0,0,0,1|1,0,0]=3 403 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [0,1,0,0,0,1|1,0,0]=3 405 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,0,1|1,0,0]=3 423 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,0,1|1,0,0]=3 425 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,1,0,0,0,1|1,0,0]=3 426 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,1,0,0,0,1|1,0,0]=3 427 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.61 NC(=O)C1=NC=CN=C1Cl CS15991 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.61 NC(=O)C1=NC=CN=C1N CS14571 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,0,1|1,0,0]=3 475 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,0,1|1,0,0]=3 477 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,0,1|1,0,0]=3 483 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,0,1|1,0,0]=3 484 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 MC427506 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,0,1|1,0,0]=3 531 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,1,0,0,0,1|0,0,0]=2 532 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,1,0,0,0,1|0,0,0]=2 533 B10R1.54 CC(=O)NC1=NC=C(Br)S1 CS18448 [0,1,0,0,0,1|0,0,0]=2 534 B10R1.54 CC(C)CC1=NC=C(Br)S1 MC102513 [0,1,0,0,0,1|1,0,1]=4 535 B10R1.54 CC(C)OC1=NC(Br)=CS1 MC430476 [0,1,0,0,0,1|1,0,1]=4 536 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [0,1,0,0,0,1|1,0,0]=3 537 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,2,0,0,0,0|1,1,0]=4 540 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.11 CCOC(=O)C1=NC=NS1 MC106084 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.14 CC1=NSC(C(=O)NN)=N1 MC42242 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,2,0,0,0,0|1,1,0]=4 549 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,2,0,0,0,0|1,1,0]=4 551 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,2,0,0,0,0|1,0,1]=4 554 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,2,0,0,0,0|1,1,0]=4 555 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,2,0,0,0,0|1,1,0]=4 557 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,2,0,0,0,0|0,0,0]=2 568 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,2,0,0,0,0|0,0,0]=2 569 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,2,0,0,0,0|0,0,0]=2 571 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,2,0,0,0,0|0,0,0]=2 572 B10R1.14 COC(=O)C1=NN(C)C=N1 CS14510 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.14 COC(=O)C1=NN=C(Br)N1 CS14811 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,2,0,0,0,0|1,1,0]=4 575 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS16329 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.14 COC(=O)C1=NNC(I)=C1 MC105672 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.14 COC(=O)C1=NNC(N)=N1 CS14209 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.14 COC(=O)C1=NNC(O)=C1 MC106662 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.149 COC(=O)C1=C(Br)C=CS1 CS19022 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.149 COC(=O)C1=C(Br)SC=N1 CS12091 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.149 COC(=O)C1=C(Cl)C=CN1 MC102125 [0,2,0,0,0,0|1,0,1]=4 586 B10R1.149 COC(=O)C1=C(F)C=CS1 MC430932 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.149 COC(=O)C1=C(I)C=CS1 MC431931 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.149 COC(=O)C1=C(N)C=CO1 CS12425 [0,2,0,0,0,0|1,1,0]=4 589 B10R1.149 COC(=O)C1=C(N)C=CS1 CS18173 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.149 COC(=O)C1=C(N)NC=N1 CS15748 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.149 COC(=O)C1=C(O)C=CN1 MC106838 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.149 COC(=O)C1=CC=CN1N CS15888 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.149 COC(=O)C1=NNC=C1Br CS12841 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.149 COC(=O)C1=NNC=C1Cl CS13632 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.149 COC(=O)C1=NNC=C1N MC443702 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.149 NCC(=O)C1=C(N)NC=N1 MC104751 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 MC113893 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.31 CC(C)C1=NC(CCl)=CS1 MC113790 [0,2,0,0,0,0|1,0,1]=4 599 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 MC442176 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 MC442179 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,2,0,0,0,0|2,0,0]=4 612 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,1,1,0,0|2,0,0]=4 613 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,0,1,1,0,0|2,0,0]=4 614 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [0,0,1,1,0,0|2,0,0]=4 615 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,0,1,1,0,0|2,0,0]=4 616 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [0,0,1,1,0,0|2,0,0]=4 617 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,0,1,1,0,0|2,0,0]=4 618 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,0,1,1,0,0|2,0,0]=4 619 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,1,1,0,0|2,0,0]=4 620 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,0,1,1,0,0|2,0,0]=4 621 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,1,1,0,0|1,1,0]=4 622 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,0,1,1,0,0|1,1,0]=4 623 B8R1.5 CC1=CC=CN=C1Br CS23002 [0,0,1,1,0,0|2,0,0]=4 624 B8R1.5 CC1=CC=CN=C1C CS21050 [0,0,1,1,0,0|2,0,0]=4 625 B8R1.5 CC1=CC=CN=C1Cl CS13857 [0,0,1,1,0,0|2,0,0]=4 626 B8R1.5 CC1=CC=CN=C1F CS19328 [0,0,1,1,0,0|2,0,0]=4 627 B8R1.5 CC1=CC=CN=C1N CS13775 [0,0,1,1,0,0|2,0,0]=4 628 B8R1.5 CC1=CC=CN=C1O CS19498 [0,0,1,1,0,0|1,1,0]=4 629 B8R1.5 CC1=NC=CN=C1Br CS12416 [0,0,1,1,0,0|2,0,0]=4 630 B8R1.5 CC1=NC=CN=C1C CS10108 [0,0,1,1,0,0|2,0,0]=4 631 B8R1.5 CC1=NC=CN=C1Cl CS17680 [0,0,1,1,0,0|2,0,0]=4 632 B8R1.5 CC1=NC=CN=C1N CS21232 [0,0,1,1,0,0|2,0,0]=4 633 B8R1.5 CC1=NC=CN=C1O CS21577 [0,0,1,1,0,0|1,1,0]=4 634 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.2 CCC1=CC=CN=C1 CS22277 [1,0,0,0,0,1|1,0,1]=4 636 B8R1.2 CCC1=NC=CN=C1 CS21534 [1,0,0,0,0,1|1,0,1]=4 637 B8R1.2 CNC1=CC=CN=C1 CS13856 [1,0,0,0,0,1|2,0,0]=4 638 B8R1.2 COC1=CC=CN=C1 CS22348 [1,0,0,0,0,1|2,0,0]=4 639 B8R1.2 COC1=CC=CN=N1 CS22347 [1,0,0,0,0,1|2,0,0]=4 640 B8R1.2 COC1=NC=CC=C1 CS18780 [1,0,0,0,0,1|2,0,0]=4 641 B8R1.2 COC1=NC=CN=C1 CS17887 [1,0,0,0,0,1|2,0,0]=4 642 B8R1.2 CSC1=NC=CC=C1 MC41628 [1,0,0,0,0,1|2,0,0]=4 643 B8R1.2 O=CC1=CC=CN=N1 MC121079 [1,0,0,0,0,1|1,0,0]=3 644 B8R1.2 O=CC1=CN=CC=C1 CS19090 [1,0,0,0,0,1|1,0,0]=3 645 B8R1.2 O=CC1=CN=CN=C1 CS19643 [1,0,0,0,0,1|2,0,0]=4 646 B8R1.2 O=CC1=CN=NC=C1 MC444362 [1,0,0,0,0,1|2,0,0]=4 647 B8R1.2 O=CC1=NC=CC=C1 CS18610 [1,0,0,0,0,1|1,0,0]=3 648 B8R1.2 O=CC1=NC=CC=N1 MC444571 [1,0,0,0,0,1|1,0,0]=3 649 B8R1.2 O=CC1=NC=CN=C1 CS18375 [1,0,0,0,0,1|1,0,0]=3 650 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,2|1,0,0]=3 651 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,2|2,0,0]=4 652 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,2|1,0,0]=3 653 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,2|1,0,0]=3 654 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,2|2,0,0]=4 655 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,2|2,0,0]=4 656 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,2|2,0,0]=4 657 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,2|2,0,0]=4 658 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,2|2,0,0]=4 659 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,2|2,0,0]=4 660 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,2|2,0,0]=4