0 B11R1.40 c1ccc(cc1)C\C(=N/O)\N WX690150 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXC02742 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.49 c1cc(ccc1CC(=O)NN)Cl WX684401 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.49 c1cc(ccc1CC(=O)NN)F WX684044 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.50 COC(=O)Cc1cccc(c1)Br WX618090 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.371 CNC(=O)Cc1ccccc1Br WX633083 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.371 CNC(=O)Cc1ccccc1Cl WXC00239 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.371 COC(=O)Cc1ccccc1N WX602188 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.18 Cn1c2ccccc2[nH]c1=O WXC02329 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.18 Cn1c2ccccc2nc1N WX609444 [0,0,0,1,0,0|2,0,1]=4 12 B12R2.24 CC1CNc2ccccc2O1 WX602053 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.24 CC1CNc2ccccc2S1 WX604425 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 CC1COc2ccccc2N1 WX604081 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 CC1CSc2ccccc2N1 WX604182 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.24 c1ccc2c(c1)CC(CN2)N WX604740 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.32 CNc1[nH]c2ccccc2n1 WX606068 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.32 CNc1nc2ccccc2s1 WX606055 [0,0,0,1,0,0|2,0,1]=4 20 B12R2.2058 c1ccc(cc1)NC2CCC2 WXC03097 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.8 CNCc1ccccn1 WX600188 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 CNCc1cccnc1 WX609032 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 CNCc1ccncc1 WX603083 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 CNCc1ncccn1 WX603029 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 CNCc1ncccn1 WX603127 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 CNCc1ncccn1 WXC02264 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 c1cc(cnc1)CNN WX684003 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.8 c1ccnc(c1)CCN WX600199 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.1 CCCOc1ccc(cc1)N WX602189 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.1 c1cc(ccc1CCCO)Cl WX640063 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.24 COCOc1cccc(c1)F WX635005 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.24 c1cc(cc(c1)F)CCCBr WX630249 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.28 c1ccc(cc1)CNCC#N WXC04002 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.28 c1ccc(cc1)COCCN WXC01524 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.20 CC(C)Oc1ccc(cn1)Br WX637143 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.20 Cc1ccc(nc1)OC(C)C WXC04147 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.36 CC(C)C(=C)c1ccccc1 WXC02189 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.36 CC(c1ccccc1)C(=N)N WX619918 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.86 CC(C)Sc1ccccc1N WXC01998 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.157 CC(C)Oc1cc(ccn1)Br WX637244 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.157 CC(C)Oc1cc(ccn1)Cl WXC04146 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.157 CN(C)Cc1cccc(c1)N WX602192 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.22 CNC(=O)c1ccc(cc1)N WX609521 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.23 CNC(=O)c1cccc(c1)O WX645087 [0,1,0,0,1,0|1,0,1]=4 51 B13R1.528 CNC(=O)CCc1ccccc1Br WX633150 [0,1,0,0,0,1|1,0,1]=4 52 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O WX610360 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.148 CC(Cc1cccc(c1)Br)C(=O)O WXC02764 [0,2,0,0,0,0|2,0,0]=4 54 B11R2.1 Cn1c2ccccc2cn1 WX690064 [1,0,0,1,0,0|1,0,1]=4 55 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 WX619180 [0,0,0,1,0,1|1,0,1]=4 57 B13R2.31 c1ccc(cc1)CN2CC(C2)O WX642110 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.64 c1ccc(cc1)NC2CCCC2 WXC04196 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.45 Cn1c2ccccc2nc1CN WX609006 [0,1,0,1,0,0|1,0,1]=4 60 B13R2.45 Cn1c2ccccc2nc1CO WX640136 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.3085 CN1c2ccccc2C(C1=O)N WX604249 [0,1,0,1,0,0|1,0,1]=4 62 B13R2.3085 CN1c2ccccc2C(C1=O)N WX609440 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O WX610123 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.42 c1cc(ccc1C2CC2C=O)Cl WX620036 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.3683 CC1CCc2cc(ccc2N1)N WX602142 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.5190 CN1c2ccc(cc2CC1=O)Br WX637289 [0,1,0,1,0,0|1,0,1]=4 67 B13R2.5190 CN1c2ccc(cc2CC1=O)O WX649015 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.6 CC(c1ccccn1)N WX609027 [1,0,0,0,1,0|1,0,0]=3 69 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,1,0|2,0,0]=4 70 B9R1.6 CC(c1cccnc1)N WX609031 [1,0,0,0,1,0|1,0,0]=3 71 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,1,0|2,0,0]=4 72 B9R1.6 CC(c1ccncc1)N WX609038 [1,0,0,0,1,0|1,0,0]=3 73 B9R1.6 CC(c1ccncc1)O WX642142 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.6 CC(c1ncccn1)N WX609073 [1,0,0,0,1,0|2,0,0]=4 75 B13R1.718 CC(CO)COCc1ccccc1 WXC01445 [0,0,0,0,0,2|2,0,0]=4