0 B8R1.2 CNc1ccnnc1 DA-43581 [1,0,0,0,0,0|3,0,0]=4 1 B8R1.2 c1cnncc1CCl DA-22266 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.13 CC(=C)c1ccc(nc1)Br DA-26820 [0,1,0,0,0,0|1,0,2]=4 3 B10R1.13 CC(=C)c1cnc(cn1)Br DA-26808 [0,1,0,0,0,0|0,0,2]=3 4 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.13 CC(C)c1ccc(nc1)Cl DA-26459 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.13 CC(c1ccc(cc1)Br)Cl DA-29650 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.13 CC(c1ccc(cn1)Cl)O DA-30838 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(c1ccc(cn1)F)O DA-48370 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 CC(c1ccc(nc1)Br)N DA-30789 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 CC(c1ccc(nc1)Br)O DA-30788 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 CN(C)c1ccc(nn1)N DA-42538 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.15 C#CC(c1cccnc1)O DA-30570 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 CC(c1ccccc1)ON DA-42022 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.15 COC(=N)c1cccnc1 DA-42038 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.28 CS(=O)(=O)c1cnccn1 DA-27640 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.28 c1cnc(cn1)C(F)(F)F DA-27565 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.61 CC(c1ccccc1N)N DA-28843 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 CN(C)c1ccc[nH]c1=O DA-24921 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.61 CN(C)c1ccccc1N DA-48516 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 CN(C)c1cccnc1Cl DA-26379 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 c1cnc(c(n1)C(Cl)Cl)Cl DA-26670 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.113 CC(=C)c1cc(cnc1)N DA-38350 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.113 CC(C)c1cc(cnc1)N DA-37233 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.113 CC(C)c1cc(ncn1)N DA-36094 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.113 CC(C)c1cccc(=O)[nH]1 DA-36095 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.113 CC(C)c1ccnc(c1)Br DA-26837 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.113 CC(c1cc(ccn1)Br)O DA-44208 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 CC(c1cccc(c1)Br)Br DA-42002 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.113 CC(c1cccc(c1)Br)N DA-40700 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.113 CC(c1cccc(n1)F)O DA-30774 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.113 CN(C)c1cc(ccn1)I DA-39289 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.113 CN(C)c1cncc(n1)Cl DA-36237 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.113 CN(C)c1nccc(n1)Br DA-39805 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.113 c1c(nc(cn1)N)C(=O)N DA-42773 [0,1,0,0,0,0|2,0,1]=4 37 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [0,0,0,1,0,0|2,0,0]=3 38 B10R2.6 c1ccnc(c1)C2CC2 DA-26302 [0,0,0,1,0,0|1,0,0]=2 39 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.7 CC(=O)c1[nH]ncn1 DA-31636 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.7 CC(=O)c1ncno1 DA-31746 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.7 CC(c1ccon1)N DA-30613 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.7 CC(c1cscn1)Cl DA-23022 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.7 c1c(ncs1)C(Cl)Cl DA-22236 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.1 C#Cc1cnc(cn1)N DA-37372 [1,1,0,0,0,0|0,0,2]=4 46 B9R1.1 CSc1ccc(cn1)N DA-36737 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.1 CSc1cnc(cn1)Cl DA-26505 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.1 Cc1cnc(cn1)NC DA-25848 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.1 c1c(ncc(n1)Cl)CCl DA-26520 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.1 c1cc(ncc1F)CN DA-37359 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 CCc1cc(ccn1)C DA-26238 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.2 CCc1cc(cnc1)N DA-37387 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.2 CCc1nccc(n1)N DA-26235 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 CNc1cccc(n1)Br DA-36388 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 CSc1cncc(n1)Cl DA-26432 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.2 c1c(cncc1Cl)CBr DA-24964 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 c1c(cncc1Cl)CCl DA-23779 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 c1c(nc(cn1)Cl)CBr DA-27799 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.2 c1cc(nc(c1)F)CBr DA-36778 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 c1cc(nc(c1)N)CN DA-36612 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 c1cnc(cc1Br)CN DA-31952 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 c1cnc(cc1Cl)CBr DA-27806 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 c1cnc(cc1Cl)CCl DA-39718 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.8 CNCc1ncccn1 DA-47975 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.8 c1c(cncn1)CCO DA-40983 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.8 c1cnncc1CCN DA-38977 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.15 CCc1c(cccn1)Br DA-24056 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 CCc1c(cncn1)N DA-39423 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.15 CCc1c(nccn1)N DA-40416 [1,1,0,0,0,0|0,0,0]=2 70 B9R1.11 CC(C=O)c1cccs1 DA-27569 [0,1,0,0,1,0|1,0,1]=4 71 B9R1.11 CC(c1cccs1)NC DA-43516 [0,1,0,0,1,0|1,0,0]=3 72 B9R1.19 CC(C)(c1[nH]ccn1)O DA-28804 [0,1,0,0,1,0|0,0,1]=3 73 B9R1.19 C[Si](C)(C)c1cscn1 DA-22097 [0,1,0,0,1,0|1,1,0]=4 74 B9R1.19 C[Sn](C)(C)c1cncs1 DA-38334 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.19 C[Sn](C)(C)c1cscn1 DA-22096 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.35 CC(C)c1cnc(o1)N DA-37235 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.35 CC(C)n1cc(nc1)N DA-29289 [0,1,0,0,1,0|1,0,0]=3 78 B9R1.35 CC(c1ccc(s1)Br)O DA-30878 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.35 Cc1cnc(s1)C(C)C DA-26053 [0,1,0,0,1,0|1,0,0]=3 80 B9R1.35 Cc1csc(n1)N(C)C DA-41967 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.41 CC(C)c1c(=O)[nH]sn1 DA-39280 [0,1,0,0,1,0|1,0,1]=4 82 B9R1.41 CC(C)c1c(scn1)N DA-39264 [0,1,0,0,1,0|1,0,0]=3 83 B9R1.41 CC(C)n1cncc1I DA-37295 [0,1,0,0,1,0|1,0,0]=3 84 B9R1.41 CC(c1ccsc1Br)O DA-31441 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.20 CC(C)Nc1ccc(cn1)N DA-42217 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.20 CC(C)Nc1ccc(nc1)N DA-48351 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.20 CC(C)Oc1ccc(cn1)O DA-36101 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.20 CC(C)Oc1ccc(nc1)Br DA-26780 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.20 CC(C)Oc1ccc(nc1)Cl DA-26460 [0,1,0,0,0,1|1,0,0]=3 90 B11R1.20 CC(C)Oc1ccc(nc1)N DA-37253 [0,1,0,0,0,1|1,0,0]=3 91 B11R1.20 CC(C)Oc1ccc(nn1)Cl DA-23743 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.20 CC(C)Oc1cnc(cn1)Br DA-26781 [0,1,0,0,0,1|0,0,0]=2 93 B11R1.20 CC(C)Oc1cnc(nc1)Cl DA-26513 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.20 CC(C)Oc1ncc(cn1)Br DA-37828 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.20 CN(C)Cc1ccc(nc1)N DA-36571 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.86 CC(C)Cc1ccccc1N DA-26081 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.86 CC(C)Oc1c(cccn1)Cl DA-23849 [0,1,0,0,0,1|1,0,0]=3 98 B11R1.86 CC(C)Oc1cccnc1Cl DA-47862 [0,1,0,0,0,1|1,0,0]=3 99 B11R1.86 CC(C)Oc1cccnc1N DA-23493 [0,1,0,0,0,1|1,0,0]=3 100 B11R1.157 CC(C)Cc1cccc(c1)O DA-25332 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.157 CC(C)Oc1cc(ccn1)I DA-39310 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.157 CC(C)Oc1cccc(c1)O DA-23494 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.157 CC(C)Oc1cccc(n1)Cl DA-26417 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.157 CC(C)Oc1cccc(n1)N DA-36102 [0,1,0,0,0,1|1,0,0]=3 105 B11R1.157 CN(C)Cc1cc(cnc1)Br DA-37679 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.157 CN(C)Cc1cccc(n1)Cl DA-36236 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.509 CC(C)(C)Oc1ccccn1 DA-25671 [0,1,0,0,0,1|1,0,0]=3 108 B11R1.3 CC(C)c1ccc(nc1)NN DA-30826 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.3 CN(C)c1cnc(cn1)C=O DA-38402 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.19 CC(C)(C)c1c[nH]c(=O)nc1 DA-36997 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.19 CC(C)(C)c1cnc(nc1)Cl DA-37008 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.19 CC(C)(c1ccc(cc1)N)O DA-28994 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.19 CC(C)(c1ccc(cn1)Br)N DA-28020 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.19 CS(=O)(=O)c1cnc(cn1)Cl DA-26508 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.19 C[Si](C)(C)c1ccc(cn1)O DA-47452 [0,2,0,0,0,0|1,1,0]=4 116 B11R1.19 C[Si](C)(C)c1ccc(nc1)N DA-38335 [0,2,0,0,0,0|1,1,0]=4 117 B11R1.19 c1c(ncc(n1)Br)C(F)(F)F DA-47437 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.21 CC(C)c1cc(c(nc1)N)Br DA-23961 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.21 CC(C)c1ccc(c(c1)Cl)N DA-26564 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.21 CC(C)c1ccc(c(c1)Cl)O DA-26563 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.21 CC(C)c1ccc(c(c1)I)O DA-26093 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.21 Cc1cc(ccc1O)C(C)C DA-39274 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.21 Cc1cc(cnc1N)C(C)C DA-37241 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.22 CC=C(C)c1ccc(nc1)N DA-38842 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.22 CCC(C)c1ccc(nc1)N DA-37012 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.22 CCC(c1ccc(nc1)C)N DA-30756 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.22 CNC(=O)c1cnc(cn1)Cl DA-37443 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.22 c1c(ncc(n1)Br)C(=O)CBr DA-26955 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.166 CC(=O)c1c(nc(cn1)Cl)Cl DA-31277 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.166 CC(c1c(nc(cn1)Cl)Cl)O DA-31274 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.7 CC(CO)(c1ccccc1)N DA-40677 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.12 c1ccc(cc1)C(CN)CN DA-25719 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.12 c1ccnc(c1)C(CO)CO DA-28557 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.12 c1cnc(cn1)C(C=O)C#N DA-23271 [0,2,0,0,0,0|0,0,2]=4 135 B11R1.16 CN(CCN)c1ccccn1 DA-40403 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.23 CC(C#N)c1cc(cnc1)Br DA-28017 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.23 Cc1cncc(n1)C(=O)OC DA-42487 [0,2,0,0,0,0|1,0,1]=4 138 B11R1.155 CC(C)(C)c1cc(ccn1)Cl DA-47680 [0,2,0,0,0,0|1,0,0]=3 139 B11R1.155 CC(C)(c1cccc(n1)N)O DA-27990 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.155 CC(C)(c1nccc(n1)N)O DA-28316 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.155 c1c(nc(cn1)Cl)C(F)(F)F DA-26429 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.53 CC(C)c1ccccc1CO DA-32102 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.167 CC(C)c1c(cnc(n1)Cl)F DA-44218 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.167 CC(C)c1cc(ccc1Br)O DA-43572 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.167 CC(C)c1cc(ccc1Cl)N DA-39639 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.167 CC(C)c1cc(ccc1N)Br DA-39929 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.167 CC(c1c(ccc(n1)Br)F)O DA-45324 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.167 CC(c1cc(cnc1N)Br)O DA-31508 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.74 CC(C)c1cc(cc(c1)O)O DA-24616 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.74 Cc1cc(nc(n1)C(C)C)N DA-26052 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.74 Cc1nc(cc(n1)N)C(C)C DA-36098 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.266 CC(C)c1cccc(c1)OC DA-41830 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.266 CC(C)c1ccnc(n1)NN DA-30964 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.266 CC(c1cccc(n1)OC)O DA-40495 [0,2,0,0,0,0|2,0,0]=4 155 B9R2.2 c1c([nH]cn1)C2CO2 DA-38756 [0,0,0,1,1,0|1,0,1]=4 156 B9R2.2 c1c(ncs1)C2CC2 DA-23110 [0,0,0,1,1,0|1,0,0]=3 157 B11R2.10 CC1Cc2cccnc2N1 DA-27422 [0,0,0,1,0,1|1,0,0]=3 158 B11R2.34 Cc1ccc(cn1)C2CO2 DA-25862 [0,1,0,1,0,0|2,0,0]=4 159 B11R2.34 c1c(cnc(n1)C2CC2)N DA-26308 [0,1,0,1,0,0|2,0,0]=4 160 B11R2.34 c1c(ncc(=O)[nH]1)C2CC2 DA-37421 [0,1,0,1,0,0|0,0,1]=3 161 B11R2.34 c1c(ncc(n1)Br)C2CC2 DA-26796 [0,1,0,1,0,0|0,0,0]=2 162 B11R2.34 c1cc(nnc1C2CC2)Cl DA-23748 [0,1,0,1,0,0|2,0,0]=4 163 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,1,0,1,0,0|2,0,0]=4 164 B11R2.40 CC1(CO1)c2ccccn2 DA-28588 [0,1,0,1,0,0|1,0,0]=3 165 B11R2.40 CC1(CO1)c2cccnc2 DA-25338 [0,1,0,1,0,0|1,0,0]=3 166 B11R2.40 c1cc(nnc1)C2(CC2)N DA-31146 [0,1,0,1,0,0|2,0,0]=4 167 B11R2.40 c1cnc(nc1)C2(CC2)N DA-30569 [0,1,0,1,0,0|2,0,0]=4 168 B11R2.239 c1cc(cnc1)C2CNC2 DA-25608 [0,1,0,1,0,0|1,0,0]=3 169 B11R2.239 c1cc(nnc1)C2CNC2 DA-25004 [0,1,0,1,0,0|2,0,0]=4 170 B11R2.239 c1cc(nnc1)C2CNC2 DA-25609 [0,1,0,1,0,0|2,0,0]=4 171 B11R2.55 c1c(c(ncn1)C2CC2)Br DA-37747 [0,1,0,1,0,0|2,0,0]=4 172 B11R2.55 c1cc(c(nc1)C2CC2)Br DA-24061 [0,1,0,1,0,0|1,0,0]=3 173 B11R2.35 c1c(ncnc1N)C2CC2 DA-36190 [0,1,0,1,0,0|2,0,0]=4 174 B11R2.35 c1cc(nc(c1)Br)C2CC2 DA-26754 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,0,1,0|1,0,0]=3 176 B7R1.1 COn1ccnc1 DA-29266 [1,0,0,0,1,0|2,0,0]=4 177 B7R1.1 CSc1cncs1 DA-38363 [1,0,0,0,1,0|2,0,0]=4 178 B7R1.1 c1c(ocn1)CN DA-38882 [1,0,0,0,1,0|2,0,0]=4 179 B7R1.1 c1cc([nH]c1)CN DA-29370 [1,0,0,0,1,0|1,0,1]=4 180 B7R1.1 c1cnsc1CO DA-33462 [1,0,0,0,1,0|2,0,0]=4 181 B7R1.1 c1csc(n1)CO DA-25631 [1,0,0,0,1,0|2,0,0]=4 182 B7R1.1 c1cscc1CCl DA-42947 [1,0,0,0,1,0|2,0,0]=4 183 B7R1.1 c1nc([nH]n1)CN DA-29366 [1,0,0,0,1,0|2,0,0]=4 184 B7R1.1 c1nc([nH]n1)CO DA-29372 [1,0,0,0,1,0|2,0,0]=4 185 B11R1.91 CC(C)COc1ccccn1 DA-28579 [0,0,0,0,0,2|1,0,0]=3