0 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.12 C(Cl)=C(CN)\C1=CC=CC=C1 BCP15920 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.12 CCB(C1=CC=CN=C1)CC BCP04285 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,1,0,0,0,0|0,0,1]=2 13 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,1,0,0,0,0|0,0,1]=2 15 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.22 FC1=CC=C([C](CCl)O)C=C1 BCP12170 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.222 O=C(NC)C1=CC=CC=C1S BCP11862 [0,1,0,0,0,0|1,0,2]=4 25 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|1,0,0]=2 26 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|1,0,0]=2 27 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|1,0,0]=2 28 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|1,0,1]=3 29 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|0,0,2]=3 30 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|1,0,2]=4 31 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,0,0,0,0,1|2,0,0]=3 32 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 OCC1=CN=CN=C1 BCP04747 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.61 OB(c1ccccc1Br)O BCP11801 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.49 O=C(CC)NC1=CC=C(O)C=C1 BCP10463 [0,1,0,0,0,1|0,0,2]=4 67 B12R1.50 NC1=CC(NC(CC)=O)=CC=C1 BCP19520 [0,1,0,0,0,1|0,0,2]=4 68 B12R1.16 OC(CNC)C1=CC=C(O)C=C1 BCP13680 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 BCP09224 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 BCP19493 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.17 O[C@@H](CNC)C1=CC(O)=CC=C1 BCP23410 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.5 CCC(C1=CC=C(OC)C=C1)=O BCP14923 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.5 COC1=CC=C([C@@H](O)CCl)C=C1 BCP12169 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.367 FC1=CC([C](O)CCl)=CC=C1F BCP18012 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.1703 O[C](CCl)C1=CC=C(Cl)C=C1Cl BCP09385 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.225 OC1=CC=CC([C@@H](C)N(C)C)=C1 BCP11200 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 BCP05648 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.225 OC1=CC=CC([C@@H](O)[C@@H](N)C)=C1 BCP11059 [0,2,0,0,0,0|0,0,0]=2 84 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|0,0,1]=3 85 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|1,0,0]=3 86 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|1,0,0]=3 87 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|2,0,0]=4 88 B10R2.7 C=12C=CC=NC1CNC2 BCP14712 [1,0,0,1,0,0|2,0,0]=4 89 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|1,0,0]=3 90 B10R2.32 OC1C2=NC=CN2CC1 BCP15379 [0,0,0,1,1,0|2,0,0]=4 91 B12R2.18 N[C@@H]1[C](O)Cc2c1cccc2 BCP01236 [0,0,0,1,0,1|1,0,1]=4 92 B12R2.18 O[C@@H]1[C](N)C2=C(C=CC=C2)C1 BCP01235 [0,0,0,1,0,1|1,0,1]=4 93 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.32 CCC1=CC=2C=CC=CC2N1 BCP15588 [0,0,0,1,0,1|1,0,1]=4 95 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BCP10073 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.1081 NC1C2=NC=CC=C2CCC1 BCP13456 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|0,0,2]=4 100 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|0,0,2]=4 102 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|0,0,2]=4 103 B12R2.612 OB1OCC2=CC(Cl)=CC=C21 BCP16819 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.612 OB1OCC2=CC(F)=CC=C21 BCP08730 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|0,0,2]=4 106 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|0,0,2]=4