0 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC(C)C1=CCC(=O)CC1 T203416 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.1 COC1CC=C(CC1)C T196010 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.6 CC(O)C1=CCCCC1 PH015453 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [0,1,0,0,0,0|0,0,3]=4 21 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,1,0,0,0,0|0,0,2]=3 30 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.19 CC1C=CC(=CC1)[Si](C)(C)C T212636 [0,1,0,0,0,0|0,1,2]=4 32 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.21 CC1CC[C@H](CC1=O)C(C)C T218626 [0,1,0,0,0,0|0,0,3]=4 37 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.22 [C@@H]1(CC=C(CC1)C)[C@@H](C)CO PH011482 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.166 CC(C)C1=CC[C@H](CC1=O)C T203688 [0,1,0,0,0,0|0,0,3]=4 42 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,1,0,0,0,0|0,0,2]=3 45 B9R0.7 CC(=NNC(=O)C(C)C)C S420220 [0,0,1,0,0,0|3,0,0]=4 46 B9R0.7 CC(C)CCC(=O)C(C)C S450499 [0,0,1,0,0,0|1,0,2]=4 47 B11R2.34 NC1=CN=C(C=N1)C2CC2 CDS019080 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.35 CC(C)C1=CSC(=N1)N T322725 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.35 CC(C)N1C=C(C=N1)I BML00244 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.35 CC(O)C1=CSC(=C1)Cl PHB00211 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,0,0,0,1,0|2,0,1]=4 52 B9R1.35 CC1=CNC(=N1)C(C)N CBR02459 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.35 CC1=CSC(=N1)C(C)N CBR00036 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.35 CC1=NC(=CS1)C(C)N CBR00686 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,0,0,0,0,1|1,0,2]=4 56 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,0,0,0,0,1|1,0,2]=4 57 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,0,0,0,0,1|1,0,2]=4 58 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,0,0,0,0,1|1,0,2]=4 59 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [1,0,1,0,0,0|1,0,1]=4 60 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [1,0,1,0,0,0|1,0,1]=4 61 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.28 CC(C)(C)C1CC=CCC1 T202983 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.31 CC(C)C1=CC(=NO1)CN CBR00062 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.31 CC(C)C1=NC(=CS1)CCl SYX00397 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.31 CC(C)C1=NC(=CS1)CN SYX00398 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.31 CC(C)C1=NC(=CS1)CO SYX00376 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.31 CC(C)C1=NOC(=C1)CCl CBR00283 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.31 CC(C)C1=NOC(=C1)CN CBR00794 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.31 CC(C)C1=NOC(=C1)CO CBR00160 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.31 CC(C)N1C=C(C=N1)CO CBR00257 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.55 CC(C)(C)C1=CC(=O)CC1 T214434 [0,1,0,0,1,0|1,0,1]=4 88 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,1|0,0,2]=4 89 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,1,0,0,0,1|0,0,2]=4 90 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.6 CC(C)(O)C1=NC=C(N=C1)CO PH017894 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [0,2,0,0,0,0|0,0,2]=4 93 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [0,2,0,0,0,0|0,0,2]=4 94 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [0,2,0,0,0,0|0,0,2]=4 96 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.256 CC(C)C1=CCC(CC1)C(C)C R751057 [0,2,0,0,0,0|0,0,2]=4 98 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,2,0,0,0,0|0,0,2]=4 99 B12R1.23 CC1=CC=C(C=C1Br)C(C)(C)C S866571 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,2,0,0,0,0|0,0,2]=4 105 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.893 CC1=CC=C(C(=C1N)C)C(C)C S775371 [0,2,0,0,0,0|0,0,2]=4 107 B10R1.79 CC1=CCCC(=CCC1)C R750018 [0,0,1,1,0,0|0,0,2]=4 108 B10R1.83 CC(=C1OC(=O)C1(C)C)C PH009575 [0,0,1,1,0,0|2,0,0]=4 109 B10R2.196 CC1([C@@H]2[C@H]1CC=CC2)C T187224 [1,0,0,1,0,0|0,0,2]=4 110 B10R2.14 CC1=NNC(=C1)C2CC2 CBR02069 [0,0,0,1,1,0|2,0,0]=4 111 B12R2.1957 CC1(C2CC=C(C1C2)CBr)C T248487 [0,1,0,1,0,0|0,0,2]=4 112 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [0,1,0,1,0,0|0,0,2]=4 113 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,0,1,0,1,0|2,0,0]=4 114 B8R1.1 CC1=CC(=CS1)CO TMT00554 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,1|1,0,1]=4