0 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [1,0,0,0,0,0|1,0,2]=4 3 B8R1.2 NCC1=CC=CN=C1 BCP13872 [1,0,0,0,0,0|1,0,0]=2 4 B8R1.2 NCC1=NC=CC=N1 BCP00118 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 NCC1=NN=CC=C1 BCP04627 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 OCC1=CC=CN=C1 BCP20084 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 OCC1=CN=CN=C1 BCP04747 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.4 C1=CC(=C(CC#N)N=C1)Br BCP16569 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,1,0,0,0,0|0,0,1]=2 21 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [0,1,0,0,0,0|2,0,1]=4 24 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [0,0,0,1,0,0|1,0,1]=3 25 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [0,0,0,1,0,0|2,0,0]=3 26 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [0,0,0,1,0,0|2,0,0]=3 27 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [0,0,0,1,0,0|0,0,2]=3 28 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [0,0,0,1,0,0|3,0,0]=4 29 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [0,0,0,1,0,0|2,0,0]=3 30 B10R2.7 C=12C=CC=NC1CNC2 BCP14712 [0,0,0,1,0,0|3,0,0]=4 31 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.8 NCCC1=CN=CN1 BCP16313 [0,0,0,0,1,0|2,0,0]=3 33 B7R1.3 BrC1=CC=NC=C1 BCP05990 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.3 CC1=CC=CC=C1 BCP16202 [2,0,0,0,0,0|0,0,0]=2 35 B7R1.3 NC1=NC=CN=C1 BCP13854 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.3 NC1=NC=NC=C1 BCP06825 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.3 NC1=NN=CC=C1 BCP13988 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.3 OC1=CC=NC=C1 BCP08909 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.3 [O-][N+]1=CC=CC=C1 BCP10416 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.1 ClC1=CC=C(CN)C=N1 BCP19252 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.1 FC1=CC=C([Mg]Br)C=C1 BCP08644 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.1 NC1=CC=C(C#N)C=C1 BCP04531 [1,1,0,0,0,0|0,0,2]=4 44 B9R1.1 NCC1=NC=C(C)N=C1 BCP14024 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.1 NNC1=NC=C(Cl)C=C1 BCP15596 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.2 C1=CN=C(C=C1NN)O BCP14942 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.2 ClC1=NC=CC(CN)=C1 BCP01584 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.2 ClC1=NC=CC(CN)=C1 BCP17040 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.2 FC1=CC=CC(CBr)=N1 BCP17087 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,1,0,0,0,0|0,0,2]=4 60 B9R1.2 NNC1=CC(Cl)=NC=C1 BCP20706 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,1,0,0,0,0|0,0,1]=3 65 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,1,0,0,0,0|0,0,0]=2 67 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 ClC1=C(NN)N=CC=C1 BCP15445 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.15 FC1=CC=CN=C1CO BCP15521 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.15 NCc1nccnc1Cl BCP20593 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.15 OCC1=C(Cl)C=NC=C1 BCP10230 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.15 OCc1ccncc1F BCP10228 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.1 ClC1=CC=C(OCCO)C=C1 BCP11228 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.1 OC1=CC=C(CCNC)C=C1 BCP10171 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,2,0,0,0,0|0,0,1]=3 82 B11R1.22 FC1=CC=C([C](CCl)O)C=C1 BCP12170 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP02652 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP10292 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.83 NOCC1=CC=C(OC)C=C1 BCP19988 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.83 OCCc1ccc(cn1)CC BCP12396 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.192 NCCC1=CC(O)=C(C=C1)O BCP06611 [0,2,0,0,0,0|0,0,0]=2 88 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.41 N#CC1=CC=CC=C1CC#N BCP17338 [0,2,0,0,0,0|0,0,2]=4 90 B11R1.86 NC1=C(SC(C)C)C=CC=C1 BCP18377 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,2,0,0,0,0|0,0,0]=2 93 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,2,0,0,0,0|0,0,0]=2 97 B11R1.12 C(Cl)=C(CN)\C1=CC=CC=C1 BCP15920 [0,2,0,0,0,0|0,0,1]=3 98 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,2,0,0,0,0|0,0,1]=3 103 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,2,0,0,0,0|1,0,1]=4 105 B11R1.28 BrCCCCC1=CC=CC=C1 BCP10383 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.28 C1=C(CCCCO)C=CC=C1 BCP16469 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.28 ClCCCCC1=CC=NC=C1 BCP12323 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.28 NCCSSC1=NC=CC=C1 BCP08070 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,2,0,0,0,0|0,0,0]=2 111 B11R2.34 FC1=CC=C([C@@H]2OC2)C=C1 BCP13087 [0,1,0,1,0,0|1,0,0]=3 112 B11R2.34 FC1=CC=C([C]2OC2)C=C1 BCP12175 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 BCP00386 [0,1,0,1,0,0|1,0,1]=4 114 B11R2.36 BrC1=CC=C2NN=CC2=C1 BCP00022 [0,1,0,1,0,0|1,0,1]=4 115 B11R2.36 Brc1ccc2c(c1)CCO2 BCP08601 [0,1,0,1,0,0|1,0,0]=3 116 B11R2.36 CC1=CC2=C(C=C1)C=CN2 BCP00914 [0,1,0,1,0,0|0,0,2]=4 117 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 BCP00061 [0,1,0,1,0,0|0,0,2]=4 118 B11R2.36 ClC1=CC2=C(C=C1)NN=C2 BCP00023 [0,1,0,1,0,0|1,0,1]=4 119 B11R2.36 ClC1=CC=C2C(NN=C2)=C1 BCP00929 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.36 FC1=CC2=C(C=C1)NN=C2 BCP00024 [0,1,0,1,0,0|1,0,1]=4 121 B11R2.36 FC1=CC2=C(NC=C2)C=C1 BCP09868 [0,1,0,1,0,0|0,0,2]=4 122 B11R2.36 IC1=CC2=C(C=C1)C=NN2 BCP00928 [0,1,0,1,0,0|1,0,1]=4 123 B11R2.36 NC1=CC2=C(C=C1)NC=N2 BCP11467 [0,1,0,1,0,0|1,0,1]=4 124 B11R2.36 NC1=CC2=C(NN=C2)C=C1 BCP00021 [0,1,0,1,0,0|1,0,1]=4 125 B11R2.36 NC1=CC=C2OCCC2=C1 BCP19517 [0,1,0,1,0,0|1,0,0]=3 126 B11R2.36 Nc1ccc2c(c1)[nH]nc2 BCP00039 [0,1,0,1,0,0|1,0,1]=4 127 B11R2.36 OC1=CC2=C(C=C1)OCO2 BCP14043 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.36 OC1=CC=C2NN=CC2=C1 BCP11175 [0,1,0,1,0,0|1,0,1]=4 129 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,1,0,1,0,0|1,0,1]=4 130 B11R2.10 NC1CC2=CC=CC=C2C1 BCP06421 [0,1,0,1,0,0|0,0,0]=2 131 B11R2.10 O=C1NC=2C=CC=CC2N1 BCP18291 [0,1,0,1,0,0|1,0,1]=4 132 B11R2.20 C12=C(N=CC=C1)CCCC2 BCP10417 [0,1,0,1,0,0|2,0,0]=4 133 B11R2.20 C12=C(N=CC=C1)CCNC2 BCP08024 [0,1,0,1,0,0|1,0,0]=3 134 B11R2.20 C12=CC=NC=C1CNCC2 BCP14718 [0,1,0,1,0,0|1,0,0]=3 135 B11R2.20 N1=CC=CC2=C1CCNC2 BCP06160 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.106 BrC1=CC=CC2=C1C=CN2 BCP00057 [0,1,0,1,0,0|0,0,2]=4 137 B11R2.106 BrC1=CC=CC2=C1C=NN2 BCP00013 [0,1,0,1,0,0|1,0,1]=4 138 B11R2.106 BrC1=CC=CC2=C1NCC2 BCP11779 [0,1,0,1,0,0|0,0,0]=2 139 B11R2.106 BrC1=CC=CC2=C1NN=C2 BCP00108 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.106 Brc1cccc2c1OCC2 BCP07134 [0,1,0,1,0,0|1,0,0]=3 141 B11R2.106 Brc1cccc2c1[nH]cc2 BCP00953 [0,1,0,1,0,0|0,0,2]=4 142 B11R2.106 FC1=C2NN=CC2=CC=C1 BCP02784 [0,1,0,1,0,0|1,0,1]=4 143 B11R2.106 NC1=C2OCCC2=CC=C1 BCP14902 [0,1,0,1,0,0|1,0,0]=3 144 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,1,0,1,0,0|1,0,1]=4 145 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,1,0,1,0,0|0,0,2]=4 146 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,1,0,1,0,0|2,0,0]=4 147 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,1,0,1,0,0|0,0,0]=2 148 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,1,0,1,0,0|0,0,0]=2 149 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,1,0,1,0,0|0,0,0]=2 150 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,1,0,1,0,0|0,0,0]=2 151 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,1,0,1,0,0|1,0,0]=3 152 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,1,0,1,0,0|1,0,1]=4 153 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 BCP18628 [0,1,0,1,0,0|0,0,0]=2 154 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,0,0,0,1,0|2,0,0]=4 155 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,1,0|1,0,0]=3 156 B7R1.1 NCC1=CC=NO1 BCP11419 [1,0,0,0,1,0|2,0,0]=4 157 B7R1.1 NCC1=NC=CO1 BCP04231 [1,0,0,0,1,0|2,0,0]=4 158 B7R1.1 NCC1=NC=CO1 BCP16393 [1,0,0,0,1,0|2,0,0]=4 159 B7R1.1 NCC1=NC=CS1 BCP10504 [1,0,0,0,1,0|2,0,0]=4