0 B11R1.605 c1nc(c(c(n1)Cl)CC=O)Cl BC652452 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [1,0,0,0,0,0|0,1,2]=4 2 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [1,0,0,0,0,0|0,1,0]=2 3 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 c1ccc(c(c1)N=C=O)Cl BC210104 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.245 COc1c(cccc1Br)Br BC676630 [1,0,0,0,0,0|1,2,0]=4 6 B10R1.245 Cc1cccc(c1CCl)C BC207590 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.245 Cc1cccc(c1CO)C BC207403 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl BC676083 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.245 c1cc(c(c(c1)F)CBr)F BC202187 [1,0,0,0,0,0|1,2,0]=4 10 B10R1.245 c1cc(c(c(c1)F)NN)F BC216513 [1,0,0,0,0,0|1,2,0]=4 11 B10R1.245 c1nc(c(c(n1)Cl)CBr)Cl BC256308 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.3441 c1cc(c(c(c1)Cl)C(=O)NN)F BC211458 [0,1,0,0,0,0|1,1,1]=4 13 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 BC206961 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N BC204008 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.1081 c1cc2c(c(c1)N)CCNC2 BC654967 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.187 C1=CC(=O)N(C1=O)CCN BC277048 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.8 c1cc(cnc1)CCN BC226643 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.8 c1ccc(cc1)CC=O BC250050 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.8 c1ccc(cc1)CCBr BC203736 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 c1ccc(cc1)CCO BC213746 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.8 c1ccc(cc1)CNN BC652179 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 c1ccc(cc1)CNN BC676720 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 c1ccnc(c1)CCBr BC216605 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.8 c1cnccc1CCBr BC683652 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 c1cnccc1CCO BC201212 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 CC[n+]1ccccc1Br BC202357 [2,0,0,0,0,0|1,1,0]=4 27 B9R1.15 CCc1c(nccn1)Cl BC210275 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.15 CCc1ccccc1Br BC675847 [2,0,0,0,0,0|0,1,0]=3 29 B9R1.15 CNc1ccccc1F BC206749 [2,0,0,0,0,0|1,1,0]=4 30 B9R1.15 COc1cccnc1Cl BC201214 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [2,0,0,0,0,0|1,1,0]=4 33 B9R1.15 c1ccc(c(c1)CN)I BC227344 [2,0,0,0,0,0|0,1,0]=3 34 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [2,0,0,0,0,0|1,1,0]=4 35 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [2,0,0,0,0,0|1,1,0]=4 36 B9R1.15 c1cncc(c1CO)Cl BC256219 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 c1cncc(c1Cl)CO BC679667 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.3 Cc1c(cccc1Br)N BC221954 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.3 Cc1c(cccc1F)N BC215399 [2,0,0,0,0,0|1,1,0]=4 40 B9R1.3 Cc1c(ccnc1Cl)Cl BC201217 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.3 Cc1c(ncnc1Cl)Cl BC676771 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.3 Cc1cccc(c1C)Br BC206660 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.3 Cc1cccc(c1N)F BC211661 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.3 Cc1ccnc(c1N)Cl BC206129 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl BC226659 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.3 c1cc(c(c(c1)Br)N)Br BC209393 [2,0,0,0,0,0|0,2,0]=4 47 B9R1.3 c1cc(c(c(c1)Br)N)Cl BC600280 [2,0,0,0,0,0|0,1,0]=3 48 B9R1.3 c1cc(c(c(c1)Cl)F)F BC675881 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.3 c1cc(c(c(c1)Cl)F)N BC206739 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.3 c1cc(c(c(c1)F)N)F BC201185 [2,0,0,0,0,0|0,2,0]=4 52 B9R1.3 c1cnc(c(c1Cl)N)Cl BC227171 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.3 c1cnc(c(c1N)N)Cl BC226758 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.3 c1nc(c(c(n1)Cl)N)Cl BC206161 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.81 CCCc1ccc(cc1O)O BC207608 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.182 c1cc(c(cc1N)CCO)N BC209154 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [1,1,0,0,0,0|0,1,1]=4 59 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [1,1,0,0,0,0|0,1,1]=4 61 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl BC225151 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.72 c1cc(c(c(c1F)CN)F)F BC227362 [1,1,0,0,0,0|0,2,0]=4 63 B11R1.72 c1cc(c(c(c1F)F)CO)Cl BC208139 [1,1,0,0,0,0|1,1,0]=4 64 B11R1.156 CC(=O)c1c(cccc1Cl)F BC247111 [1,1,0,0,0,0|0,1,1]=4 65 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])Cl BC210747 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.464 Cc1cc(c(c(c1)Cl)C=O)Cl BC670997 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O BC222285 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.3787 Cc1cccc(c1OCC(C)N)C BC205702 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.3787 Cc1cccc(c1OCC(C)N)C BC681107 [0,2,0,0,0,0|2,0,0]=4 70 B11R2.10 c1ccc2c(c1)CC(C2)N BC214992 [1,0,0,1,0,0|1,0,0]=3 71 B11R2.10 c1ccc2c(c1)CC(C2)N BC645558 [1,0,0,1,0,0|1,0,0]=3 72 B11R2.10 c1ccc2c(c1)CC(C2)O BC214988 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.106 c1cc2c(c(c1)F)CCN2 BC671227 [1,0,0,1,0,0|0,1,0]=3 74 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl BC215880 [1,0,0,1,0,0|0,0,2]=4 75 B13R2.32 c1cc(c(c2c1CNCC2)Br)O BC244675 [0,1,0,1,0,0|1,1,0]=4 76 B13R2.342 c1cc2c(c(c1)O)CCNC2=O BC200209 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.4825 CC1Cc2c(cccc2Cl)C1=O BC652358 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.54 c1cc2c(c(c1)Cl)OC(C2)CO BC600036 [0,1,0,1,0,0|2,0,0]=4