0 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.69 CC1CNC(=O)NC1=O S412295 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.69 N1C(=O)NN=C(C1=O)Br S948837 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl T163503 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.69 O=C1NC=C(C(=S)N1)F R538280 [0,0,0,0,0,0|0,1,0]=1 14 B9R1.69 O=C1NCC(C(=O)N1)Br S776858 [0,0,0,0,0,0|0,1,2]=3 15 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.4 O=C1CSCC(=O)N1 R305316 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.4 O=C1NCNC(=O)N1 S347531 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.5 FC1=CN=CN=C1S S217271 [1,0,0,0,0,0|0,1,2]=4 32 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|1,1,0]=3 33 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.22 CC1=C(C(=O)CC(=O)O1)C PH016843 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|0,1,0]=2 36 B10R1.22 N1C(=O)NC(=O)C(=C1N)N S504386 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.25 C#CC1=CNC(=O)N=C1O CDS021333 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.25 CCN1C=CC(=O)NC1=O S787973 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [0,1,0,0,0,0|0,0,2]=3 40 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.63 CC1(CNC(=O)NC1=O)Br S571385 [0,1,0,0,0,0|0,1,2]=4 43 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.118 CN1CC(C(=O)NC1=O)Br S859559 [0,1,0,0,0,0|0,1,2]=4 45 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,0,0,0,1,0|1,0,1]=3 47 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,0,0,0,1,0|1,1,0]=3 48 B10R1.330 O=C1CNC(=O)NC(=O)C1 CDS015044 [0,0,0,0,0,1|1,0,1]=3 49 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.6 NC(=O)NCC(=O)O L100056 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.6 NC(=O)NNC(=O)N S371467 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.2 CNC(=O)NC(=O)C S411868 [1,0,1,0,0,0|0,0,2]=4 53 B7R0.2 COC(=O)NC(=O)N S876178 [1,0,1,0,0,0|1,0,1]=4 54 B7R0.2 NC(=O)NC(=O)CCl PH011412 [1,0,1,0,0,0|0,1,1]=4 55 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 56 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 O=C1CSC=CN1 OTV000696 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [1,1,0,0,0,0|0,0,0]=2 68 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [1,1,0,0,0,0|0,0,2]=4 69 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [1,1,0,0,0,0|0,2,0]=4 70 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [1,1,0,0,0,0|0,1,0]=3 71 B9R1.34 O=C1CC(=O)NC(=S)[N-]1 S564508 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.22 O=C1NC(=O)[C@@H](N1)CO PH011479 [0,1,0,0,1,0|1,0,1]=4 73 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,1,0,0,1,0|1,0,1]=4 75 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [0,1,0,0,1,0|1,0,0]=3 76 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl L161292 [0,1,0,0,1,0|1,1,0]=4 77 B9R1.37 O=C1OC(=O)C(=C1Br)Br S952346 [0,1,0,0,1,0|1,1,0]=4 78 B11R1.464 C(=O)C1=C(NC(=O)NC1=O)N CBR01912 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.464 CCC1C(=O)NC(=O)NC1=O PH006786 [0,2,0,0,0,0|1,0,1]=4 80 B11R1.464 N1C(=O)NC(=O)C(=C1C)CO S462101 [0,2,0,0,0,0|1,0,0]=3 81 B11R1.81 N1C=C(C(=O)NC1=O)COC S244279 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,2,0,0,0,0|1,1,0]=4 83 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O CDS001345 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.166 O=C1NN=C(C(=O)N1)C(=O)O PH008629 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.277 N#CC1=C(NC(=O)C(=C1)F)O CDS021427 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.167 CN(C)C1=C(C=NC(=O)N1)F CBR01644 [0,2,0,0,0,0|1,0,1]=4 87 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,1,1,0,0|2,0,0]=4