0 B10R1.18 C\[N+](=C\c1ccncc1)\[O-] WXC03036 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 c1cnc(nc1)CC(=O)N WXC04468 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 CNCc1ccccn1 WX600188 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CNCc1cccnc1 WX609032 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CNCc1ccncc1 WX603083 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CNCc1ncccn1 WX603029 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CNCc1ncccn1 WX603127 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 CNCc1ncccn1 WXC02264 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 c1cc(cnc1)CC#N WX683086 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 c1cc(cnc1)CNN WX684003 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 c1ccnc(c1)CCN WX600199 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.20 CC(=O)Oc1ccc(cc1)O WX645067 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 CC(C)Oc1ccc(cn1)Br WX637143 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.20 Cc1ccc(nc1)OC(C)C WXC04147 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.36 CC(C)C(=C)c1ccccc1 WXC02189 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.36 CC(c1ccccc1)C(=N)N WX619918 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.36 c1ccc(cc1)C(=O)C(F)F WXFC0144 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.40 c1ccc(cc1)C\C(=N/O)\N WX690150 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.86 CC(C)Sc1ccccc1N WXC01998 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.157 CC(C)Oc1cc(ccn1)Br WX637244 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.157 CC(C)Oc1cc(ccn1)Cl WXC04146 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.157 CN(C)Cc1cccc(c1)N WX602192 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.157 c1cc(cc(c1)Br)NC(=S)N WXC04420 [0,1,0,0,0,0|2,0,1]=4 25 B11R2.10 c1cc2c(nc1)CC(=O)N2 WX619106 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.10 c1ccc2c(c1)[nH]c(n2)N WX609442 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.10 c1ccc2c(c1)[nH]c(n2)S WXC01123 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.10 c1ccc2c(c1)nc(s2)N WX609449 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.6 CC(c1ccccn1)N WX609027 [0,0,0,0,1,0|1,0,0]=2 30 B9R1.6 CC(c1ccccn1)O WX642039 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.6 CC(c1cccnc1)N WX609031 [0,0,0,0,1,0|1,0,0]=2 32 B9R1.6 CC(c1cccnc1)O WX642141 [0,0,0,0,1,0|2,0,0]=3 33 B9R1.6 CC(c1ccncc1)N WX609038 [0,0,0,0,1,0|1,0,0]=2 34 B9R1.6 CC(c1ccncc1)O WX642142 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.6 CC(c1ncccn1)N WX609073 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.6 CC(c1ncccn1)O WX642042 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [0,0,0,0,1,0|2,0,1]=4 38 B9R1.6 c1cnccc1C(=N)N WX619915 [0,0,0,0,1,0|2,0,1]=4 39 B9R1.13 c1cc([nH]c1)CC(=O)N WX619054 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [0,0,0,0,0,1|1,0,1]=3 42 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 c1cc(cnc1)CO WX640285 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 c1ccnc(c1)CO WX640282 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 c1ccnc(c1)NN WXC04165 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 c1cnc(cn1)CN WX603036 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 c1cnc(nc1)CN WX603024 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 c1cnc(nc1)CN WX609048 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 c1cnccc1CO WX640289 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 c1cnccc1NN WX684229 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 CCOc1ccc(nc1)Br WX637261 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 Cc1cnc(nc1)CCN WX607133 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.1 c1cc(ccc1CC#N)I WX634021 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.1 c1cc(ccc1CNN)Cl WXC03194 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.4 c1ccc(c(c1)CNN)Cl WXC03184 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.10 CCOc1cc(ccn1)Cl WXC04143 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.10 CCOc1cccc(n1)Br WX633197 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.10 CNCc1cccc(c1)O WX600071 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.10 CSCc1cccc(c1)Br WX633087 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.15 c1ccc(cc1)C(=S)NN WXC00705 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.17 C1C=CCC(=C1)CCCO WX640164 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [0,1,0,0,1,0|1,0,1]=4 68 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [0,1,0,0,1,0|1,0,1]=4 69 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [0,1,0,0,1,0|1,0,1]=4 70 B10R1.28 CC(C)(c1ccccc1)N WX600125 [0,1,0,0,1,0|0,0,0]=2 71 B10R1.28 CC(C)(c1cccnc1)N WX600235 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.61 CC(C)c1c(cccn1)O WX645029 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.61 CC(c1ccncc1F)Cl WX630339 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.61 c1ccc(c(c1)C(=N)N)Cl WX619951 [0,1,0,0,1,0|1,0,1]=4 75 B10R1.61 c1ccc(c(c1)C(=N)N)F WX619904 [0,1,0,0,1,0|1,0,1]=4 76 B10R1.61 c1ccc(c(c1)C(F)F)N WXFC0033 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [0,1,0,0,1,0|1,0,1]=4 78 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [0,1,0,0,1,0|1,0,0]=3 80 B10R1.113 c1cc(cc(c1)Cl)C(=S)N WX619930 [0,1,0,0,1,0|1,0,1]=4 81 B10R1.113 c1cc(cc(c1)I)C(F)F WXFC0039 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.113 c1cc(cc(c1)N)C(F)F WX602046 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.113 c1cc(cc(c1)O)C(F)F WXFC0040 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.54 Cc1cc(on1)CC(C)N WX600007 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.4 COc1ccc(cc1)CC(=N)N WX619911 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.19 Cc1ccc(cc1N)OC(C)C WXC01431 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br WXC03015 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXC02742 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.49 c1cc(ccc1CC(=O)NN)Cl WX684401 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.49 c1cc(ccc1CC(=O)NN)F WX684044 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.49 c1cc(ccc1C\C(=N/O)\N)O WX690137 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F WX690158 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.106 c1cc(ccc1CC(F)(F)F)Br WX633209 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.564 CC(C)(C(=O)c1ccccc1)N WX600267 [0,2,0,0,0,0|0,0,1]=3 96 B12R1.564 CC(C)([C@@H](c1ccccc1)N)O WXC04676 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.50 COC(=O)Cc1cccc(c1)Br WX618090 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.50 c1cc(cc(c1)Br)C\C(=N/O)\N WX690180 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.50 c1cc(cc(c1)Cl)C\C(=N\O)\N WX632011 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.371 CNC(=O)Cc1ccccc1Br WX633083 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.371 CNC(=O)Cc1ccccc1Cl WXC00239 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.371 COC(=O)Cc1ccccc1N WX602188 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.371 Cc1ccccc1C\C(=N/O)\N WX690166 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.371 c1ccc(c(c1)C\C(=N/O)\N)Br WX690179 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.75 CC(C)Cc1c(cccn1)CO WXC02999 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.75 CC(C)Oc1ccccc1C=O WX622090 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.151 c1ccc(c(c1)CS(=O)(=O)N)Br WX633055 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.151 c1ccc(c(c1)CS(=O)(=O)N)Cl WX682906 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.1009 CC(C)Sc1c(cccc1Cl)Cl WXC00821 [0,2,0,0,0,0|2,0,0]=4 110 B10R2.7 c1ccc2c(c1)CNC2 WX604071 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.24 CC1CNc2ccccc2O1 WX602053 [0,0,0,1,0,1|1,0,0]=3 112 B12R2.24 CC1CNc2ccccc2S1 WX604425 [0,0,0,1,0,1|1,0,0]=3 113 B12R2.24 CC1COc2ccccc2N1 WX604081 [0,0,0,1,0,1|0,0,0]=2 114 B12R2.24 CC1CSc2ccccc2N1 WX604182 [0,0,0,1,0,1|0,0,0]=2 115 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,1,0,1|1,0,1]=4 116 B12R2.24 c1ccc2c(c1)CC(CN2)N WX604740 [0,0,0,1,0,1|0,0,0]=2 117 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,1,0,1|1,0,1]=4 118 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,1,0,1|1,0,1]=4 119 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,0,0,1,0,1|1,0,0]=3 120 B12R2.2403 CC1(CNc2c1cccn2)C WXC02325 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.606 CC1Cc2cc(ccc2O1)Br WX633185 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.606 Cc1[nH]c2ccc(cc2n1)Br WX637281 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 WX633120 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 WX633065 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.606 c1cc2c(cc1Br)CC(C2)O WX633176 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 WX633050 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.606 c1cc2c(cc1F)CC(=O)N2 WX619027 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.606 c1cc2c(cc1O)CC(=O)N2 WX649011 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.18 Cn1c2ccccc2nc1N WX609444 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N WX609436 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.32 CNc1[nH]c2ccccc2n1 WX606068 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN WX609001 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO WX640277 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.2058 c1ccc(cc1)NC2CCC2 WXC03097 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.95 c1ccc2c(c1)CS(=O)(=O)N2 WX682915 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.202 Cc1[nH]c2cccc(c2n1)O WX649076 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.202 Cc1cc2c([nH]1)cccc2O WX649002 [0,1,0,1,0,0|0,0,2]=4 138 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 WX633088 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 WX633048 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 WXFC0192 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.8 c1cc(oc1)CCO WX640320 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.8 c1cc(sc1)CCN WX600201 [1,0,0,0,1,0|1,0,0]=3 143 B8R1.7 CC(c1[nH]ccn1)N WX603123 [0,0,0,0,2,0|2,0,0]=4 144 B8R1.7 CC(c1[nH]ccn1)N WX609071 [0,0,0,0,2,0|2,0,0]=4 145 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [0,0,0,0,2,0|2,0,0]=4 146 B8R1.7 CC(c1cccs1)N WX609033 [0,0,0,0,2,0|1,0,0]=3 147 B8R1.7 CC(c1cccs1)O WX642064 [0,0,0,0,2,0|2,0,0]=4 148 B8R1.7 CC(c1cncs1)N WX609041 [0,0,0,0,2,0|2,0,0]=4 149 B12R1.252 CC(C)CNCc1ccccc1 WX600341 [0,0,0,0,0,2|1,0,0]=3