0 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 NCC1=CC=CN=C1 BCP13872 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.2 NCC1=NC=CC=N1 BCP00118 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.2 NCC1=NN=CC=C1 BCP04627 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 OCC1=CC=CN=C1 BCP20084 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.4 C1=CC(=C(CC#N)N=C1)Br BCP16569 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [0,1,0,0,0,0|0,0,0]=1 14 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.1 O=C(OCC)\C=C\C=O BCP16342 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.4 CCCCC\C=C\C=O BCP18963 [0,0,1,0,0,0|1,0,2]=4 19 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [0,0,0,1,0,0|2,0,1]=4 20 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [0,0,0,1,0,0|2,0,0]=3 21 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [0,0,0,1,0,0|2,0,0]=3 22 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [0,0,0,1,0,0|3,0,0]=4 23 B10R2.7 C=12C=CC=NC1CNC2 BCP14712 [0,0,0,1,0,0|1,0,0]=2 24 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [0,0,0,1,0,0|0,0,0]=1 25 B8R1.8 CNCC1=NOC=C1 BCP11421 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.8 N#CCC1=CNC=N1 BCP16340 [0,0,0,0,1,0|2,0,1]=4 27 B8R1.8 NCCC1=CN=CN1 BCP16313 [0,0,0,0,1,0|2,0,1]=4 28 B7R1.3 CC1=CC=CC=C1 BCP16202 [2,0,0,0,0,0|1,0,0]=3 29 B7R1.3 ClC1=NC=NC=C1 BCP05785 [2,0,0,0,0,0|2,0,0]=4 30 B7R1.3 FC1=CN=CC=N1 BCP03206 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.3 NC1=NC=CN=C1 BCP13854 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.3 NC1=NC=NC=C1 BCP06825 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.3 NC1=NN=CC=C1 BCP13988 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.3 O=C1C=CNC=N1 BCP13987 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.3 OC1=NC=CC=N1 BCP01070 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 BrC1=CN=C(N=C1)SC BCP16809 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.1 C1=C(N=CC(=C1)Br)C#N BCP00485 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.1 CSC1=CN=C(Br)C=N1 BCP07668 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.1 NCC1=NC=C(C)N=C1 BCP14024 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.1 NNC1=NC=C(Cl)C=C1 BCP15596 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.2 ClC1=CC(NC)=NC=N1 BCP10052 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 FC1=CC=CC(CBr)=N1 BCP17087 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.2 NC1=NC(=CN=C1)OC BCP09100 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,1,0,0,0,0|0,0,1]=3 55 B9R1.15 C1=CC=NC(=C1C)C#N BCP16112 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.15 ClC1=C(NN)N=CC=C1 BCP15445 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.15 FC1=CC=CN=C1CO BCP15521 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.15 N#CC1=NC=CC=C1F BCP07099 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.15 NCc1nccnc1Cl BCP20593 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.1 ClC1=CC=C(OCCO)C=C1 BCP11228 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.1 OC1=CC=C(CCNC)C=C1 BCP10171 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,2,0,0,0,0|1,0,1]=4 68 B11R1.83 OCCc1ccc(cn1)CC BCP12396 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.192 NCCC1=CC(O)=C(C=C1)O BCP06611 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.86 NC1=C(SC(C)C)C=CC=C1 BCP18377 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.157 FC1=NC(OC(F)F)=CC=C1 BCP10175 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.28 BrCCCCC1=CC=CC=C1 BCP10383 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.28 C1=C(CCCCO)C=CC=C1 BCP16469 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.28 ClCCCCC1=CC=NC=C1 BCP12323 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.28 NCCSSC1=NC=CC=C1 BCP08070 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,2,0,0,0,0|1,0,0]=3 93 B9R2.2 C1(C2CC2)=NC=CN1 BCP20522 [0,0,0,1,1,0|1,0,0]=3 94 B9R2.2 C1(C2CC2)=NNC=C1 BCP02748 [0,0,0,1,1,0|1,0,0]=3 95 B9R2.2 C1CC1c2c[nH]cn2 BCP19799 [0,0,0,1,1,0|1,0,0]=3 96 B11R2.34 FC1=CC=C([C@@H]2OC2)C=C1 BCP13087 [0,1,0,1,0,0|2,0,0]=4 97 B11R2.36 Brc1ccc2c(c1)CCO2 BCP08601 [0,1,0,1,0,0|2,0,0]=4 98 B11R2.36 NC1=CC=C2OCCC2=C1 BCP19517 [0,1,0,1,0,0|2,0,0]=4 99 B11R2.10 NC1CC2=CC=CC=C2C1 BCP06421 [0,1,0,1,0,0|1,0,0]=3 100 B11R2.20 C12=C(N=CC=C1)CCCC2 BCP10417 [0,1,0,1,0,0|0,0,0]=2 101 B11R2.20 C12=C(N=CC=C1)CCNC2 BCP08024 [0,1,0,1,0,0|0,0,0]=2 102 B11R2.20 C12=CC=NC=C1CNCC2 BCP14718 [0,1,0,1,0,0|2,0,0]=4 103 B11R2.20 N1=CC=CC2=C1CCNC2 BCP06160 [0,1,0,1,0,0|0,0,0]=2 104 B11R2.106 BrC1=CC=CC2=C1NCC2 BCP11779 [0,1,0,1,0,0|2,0,0]=4 105 B11R2.106 Brc1cccc2c1OCC2 BCP07134 [0,1,0,1,0,0|2,0,0]=4 106 B11R2.106 ClC1=CC=NC2=C1CC=N2 BCP00243 [0,1,0,1,0,0|1,0,1]=4 107 B11R2.106 NC1=C2OCCC2=CC=C1 BCP14902 [0,1,0,1,0,0|2,0,0]=4 108 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,1,0,1,0,0|1,0,0]=3 109 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,1,0,1,0,0|1,0,0]=3 110 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,1,0,1,0,0|1,0,0]=3 111 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,1,0,1,0,0|1,0,1]=4 112 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,1,0,1,0,0|1,0,1]=4 114 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 BCP18628 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,0,0,0,1,0|2,0,0]=4 116 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,1,0|0,0,1]=3 117 B7R1.1 ClCC1=NC=CO1 BCP11468 [1,0,0,0,1,0|2,0,0]=4 118 B7R1.1 NCC1=NC=CO1 BCP04231 [1,0,0,0,1,0|2,0,0]=4 119 B7R1.1 NCC1=NC=CO1 BCP16393 [1,0,0,0,1,0|2,0,0]=4 120 B7R1.1 NCC1=NC=CS1 BCP10504 [1,0,0,0,1,0|2,0,0]=4