0 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 c1cnccc1C(=O)CBr WX631022 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 CC(c1ccccn1)N WX609027 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 CC(c1cccnc1)N WX609031 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 CC(c1ccncc1)N WX609038 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 CC(c1ccncc1)O WX642142 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 CC(c1ncccn1)N WX609073 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 CC(c1ncccn1)O WX642042 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 c1cnccc1C(=N)N WX619915 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 CNCc1ccccn1 WX600188 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 CNCc1cccnc1 WX609032 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCc1ccncc1 WX603083 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 c1cc(cnc1)CC#N WX683086 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 c1cc(cnc1)CNN WX684003 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 c1ccnc(c1)CCN WX600199 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.7 c1ccc(cc1)S(=O)(=O)CF WX690290 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.16 c1ccc(cc1)C(=O)CC#N WX683081 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 Cc1ccc(cc1)C(=S)NN WXC00707 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.22 c1cc(ccc1C(=S)NN)Cl WXC00711 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 c1cc(ccc1C(=S)NN)F WXC00709 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 c1cc(ccc1C(CN)O)Br WX600145 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.22 c1cc(ccc1C(CO)N)F WX600173 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.23 Cc1cccc(c1)C(=O)NN WXC04412 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.23 c1cc(cc(c1)Br)C(=O)CN WX602205 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.23 c1cc(cc(c1)Br)C(CN)O WX600167 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.36 CC(C)C(=C)c1ccccc1 WXC02189 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.36 CC(c1ccccc1)C(=N)N WX619918 [0,1,0,0,0,0|0,0,1]=2 37 B11R1.36 c1ccc(cc1)C(=O)C(F)F WXFC0144 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 CCC(=O)c1ccccc1Br WX626030 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.222 CCC(=O)c1ccccc1Cl WXC00823 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.222 Cc1ccccc1C(=S)NN WXC00708 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl WX631003 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.222 c1ccc(c(c1)C(=O)CCl)N WX631029 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.222 c1ccc(c(c1)C(CN)O)Br WX603077 [0,1,0,0,0,0|1,0,0]=2 44 B11R2.1 Cn1c2ccccc2cn1 WX690064 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.11 c1cc(oc1)C(CN)O WX600098 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 c1cc(cnc1)CO WX640285 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 c1ccnc(c1)CO WX640282 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 c1ccnc(c1)NN WXC04165 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 c1cnc(cn1)CN WX603036 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 c1cnc(nc1)CN WX603024 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 c1cnc(nc1)CN WX609048 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 c1cnccc1CO WX640289 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 c1cnccc1NN WX684229 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 CN(C)c1ccc(cn1)Br WX637239 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CN(C)c1ccc(cn1)N WX606099 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.28 CC(C)(c1ccccc1)N WX600125 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.28 CC(C)(c1cccnc1)N WX600235 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.61 CC(C)c1c(cccn1)O WX645029 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.61 CC(c1ccncc1F)Cl WX630339 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.61 c1ccc(c(c1)C(=N)N)Cl WX619951 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.61 c1ccc(c(c1)C(=N)N)F WX619904 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 c1ccc(c(c1)C(F)F)N WXFC0033 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.113 CC(C)c1nccc(n1)Cl WXC04099 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.113 CC(C)c1nccc(n1)O WXC04102 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.113 c1cc(cc(c1)Cl)C(=S)N WX619930 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.113 c1cc(cc(c1)I)C(F)F WXFC0039 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.113 c1cc(cc(c1)N)C(F)F WX602046 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.113 c1cc(cc(c1)O)C(F)F WXFC0040 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.1 Cc1cnc(nc1)CCN WX607133 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.1 c1cc(ccc1CC#N)I WX634021 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.1 c1cc(ccc1CNN)Cl WXC03194 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.4 c1ccc(c(c1)CNN)Cl WXC03184 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.10 CNCc1cccc(c1)O WX600071 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CSCc1cccc(c1)Br WX633087 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.17 CN(CCBr)c1cccc(c1)F WX630242 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.24 CCC(c1cccc(c1C)F)O WXC00114 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.564 CC(C)(C(=O)c1ccccc1)N WX600267 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.564 CC(C)([C@@H](c1ccccc1)N)O WXC04676 [0,2,0,0,0,0|2,0,0]=4 89 B10R2.7 c1ccc2c(c1)CNC2 WX604071 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N WX609436 [0,0,0,1,0,1|1,0,1]=4 91 B12R2.24 CC1CNc2ccccc2O1 WX602053 [0,0,0,1,0,1|0,0,0]=2 92 B12R2.24 CC1CNc2ccccc2S1 WX604425 [0,0,0,1,0,1|0,0,0]=2 93 B12R2.24 CC1COc2ccccc2N1 WX604081 [0,0,0,1,0,1|1,0,0]=3 94 B12R2.24 CC1CSc2ccccc2N1 WX604182 [0,0,0,1,0,1|1,0,0]=3 95 B12R2.24 c1ccc2c(c1)CC(CN2)N WX604740 [0,0,0,1,0,1|1,0,0]=3 96 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,1,0,1|1,0,1]=4 97 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN WX609001 [0,0,0,1,0,1|1,0,1]=4 98 B12R2.32 c1ccc2c(c1)nc(s2)CN WX609016 [0,0,0,1,0,1|1,0,1]=4 99 B12R2.2058 c1ccc(cc1)NC2CCC2 WXC03097 [0,0,0,1,0,1|1,0,0]=3 100 B12R2.48 c1ccc(cc1)C2(CC2)C#N WXC00522 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.48 c1ccc(cc1)C2(CC2)CO WX640310 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.2403 CC1(CNc2c1cccn2)C WXC02325 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN WX603102 [0,1,0,1,0,0|0,0,2]=4 105 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO WX640278 [0,1,0,1,0,0|0,0,2]=4 106 B12R2.2 c1ccc(cc1)C2CCNC2 WX604689 [0,1,0,1,0,0|0,0,0]=2 107 B12R2.1081 CC1CNCc2c1cccc2 WX604177 [0,1,0,1,0,0|0,0,0]=2 108 B12R2.1081 CC1CNCc2c1cccc2 WX604759 [0,1,0,1,0,0|0,0,0]=2 109 B12R2.1081 CC1c2ccccc2CCN1 WX604078 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.1081 CC1c2ccccc2CCN1 WX604757 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.1081 C[C@@H]1CNCc2c1cccc2 WX604648 [0,1,0,1,0,0|0,0,0]=2 112 B12R2.1081 C[C@H]1CNCc2c1cccc2 WX604647 [0,1,0,1,0,0|0,0,0]=2 113 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N WX604247 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WX604750 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WXC00813 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.2028 C[C@@H]1c2ccccc2C(=O)N1 WX619181 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br WX637351 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.612 Cc1c2ccc(cc2[nH]n1)O WX645011 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 c1cc2c(cc1Br)CCC2O WX633165 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.612 c1cc2c(cc1Br)CC[C@H]2O WX633147 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.132 Cc1c[nH]c2c1cc(cc2)Br WX633205 [0,1,0,1,0,0|0,0,2]=4 124 B12R2.132 Cc1ccc2c(c1)C(CC2)O WX642123 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N WXC03237 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.132 c1cc2c(cc1Br)C(CC2)N WX604358 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.196 Cc1c2cccc(c2[nH]n1)Br WX637104 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.196 Cc1cccc2c1CCC2O WX642033 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 WX637132 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.203 Cc1c[nH]c2c1c(ccc2)O WX645026 [0,1,0,1,0,0|0,0,2]=4 131 B12R2.203 Cc1cccc2c1C(CC2)O WX642122 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.7 CC(c1[nH]ccn1)N WX603123 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.7 CC(c1[nH]ccn1)N WX609071 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.7 CC(c1cccs1)N WX609033 [1,0,0,0,1,0|1,0,0]=3 136 B8R1.7 CC(c1cccs1)O WX642064 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.7 CC(c1cncs1)N WX609041 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.8 c1cc(oc1)CCO WX640320 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.8 c1cc(sc1)CCN WX600201 [1,0,0,0,1,0|1,0,0]=3