0 B8R1.8 C=CCc1cccs1 DA-28564 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCCn1cccn1 DA-29084 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 COCc1c[nH]nc1 DA-22173 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 c1c(scn1)CCO DA-36994 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 c1cn(nn1)CCCl DA-31425 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 c1conc1CC#N DA-23475 [0,0,0,0,0,0|1,1,2]=4 6 B8R1.8 c1csc(n1)CCN DA-25633 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 c1csc(n1)CCO DA-25632 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,0,0,0|1,0,0]=2 9 B7R1.1 COn1ccnc1 DA-29266 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 CSc1cncs1 DA-38363 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 c1c(ocn1)CN DA-38882 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 c1cc([nH]c1)CN DA-29370 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 c1cnsc1CO DA-33462 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 c1cscc1CCl DA-42947 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 c1csnc1C=O DA-23476 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 c1nc([nH]n1)CN DA-29366 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.7 CCCc1cnc(s1)N DA-42553 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.7 CNCc1cc(sc1)Br DA-37655 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.7 Cc1cc(n[nH]1)CCN DA-37151 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.7 Cc1csc(n1)CCN DA-39132 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.7 Cn1cc(nc1)CCN DA-29244 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.7 Cn1ccc(n1)CCO DA-29236 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.11 CCC(=O)c1ccsc1 DA-31133 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.11 c1c(ncs1)C(=O)CBr DA-26957 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.11 c1c(ncs1)C(=O)CCl DA-26699 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.11 c1cscc1C(C#N)O DA-26149 [0,1,0,0,0,0|0,0,2]=3 27 B9R1.12 CNCCc1ccco1 DA-44520 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.12 CNCCc1cccs1 DA-41516 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.12 c1c(cn[nH]1)CCCO DA-29342 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.12 c1cc(oc1)CCCBr DA-28480 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.12 c1cc(oc1)CCCO DA-26189 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.12 c1ccn(c1)CCCI DA-31183 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.12 c1cn(cn1)CCC=O DA-29355 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.12 c1nc([nH]n1)CCCN DA-29365 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.13 CC(Cc1nccs1)N DA-30516 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.13 CC(Cn1cccn1)N DA-31631 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.33 CCCn1cc[nH]c1=S DA-29088 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.33 CN1CNC=C1CCN DA-28777 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.33 Cc1c(nc[nH]1)CCO DA-37157 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.33 Cc1c(scn1)CCBr DA-38791 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.33 Cc1cccn1CCN DA-25957 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.33 Cc1ccsc1CCO DA-28107 [0,1,0,0,0,0|3,0,0]=4 43 B9R2.2 c1c([nH]cn1)C2CO2 DA-38756 [0,0,0,1,0,0|3,0,0]=4 44 B9R2.2 c1c(ncs1)C2CC2 DA-23110 [0,0,0,1,0,0|2,0,0]=3 45 B9R2.3 c1csc2c1[nH]nc2 DA-29323 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.8 c1c(cncn1)CC#N DA-37016 [0,0,0,0,0,1|1,0,2]=4 47 B9R1.8 c1c(cncn1)CCO DA-40983 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.8 c1ccc(cc1)CNN DA-35038 [0,0,0,0,0,1|2,0,0]=3 49 B9R1.8 c1cnncc1CCN DA-38977 [0,0,0,0,0,1|1,0,0]=2 50 B6R1.2 Cc1ccc[nH]1 DA-25958 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 c1c(ncs1)I DA-39286 [2,0,0,0,0,0|2,0,0]=4 52 B6R1.2 c1c(ncs1)O DA-38955 [2,0,0,0,0,0|2,0,0]=4 53 B6R1.2 c1c[nH]cc1Cl DA-23867 [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 c1csnc1Cl DA-23724 [2,0,0,0,0,0|2,0,0]=4 55 B6R1.2 c1csnc1N DA-23477 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.1 CCc1cc([nH]n1)N DA-23652 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.1 CCc1csc(n1)Br DA-26848 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.1 CCn1cc(nc1)Br DA-21447 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.1 CCn1cc(nc1)I DA-29404 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.1 CCn1cc(nc1)N DA-29430 [1,1,0,0,0,0|2,0,0]=4 61 B8R1.1 Cc1cc(cs1)CO DA-37106 [1,1,0,0,0,0|1,0,0]=3 62 B8R1.1 Cc1cc(n[nH]1)CN DA-37150 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.7 CC(c1ccon1)N DA-30613 [1,1,0,0,0,0|1,1,0]=4 64 B8R1.7 CC(c1cscn1)Cl DA-23022 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.7 c1c(ncs1)C(Cl)Cl DA-22236 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.11 CCc1c(=O)[nH]sn1 DA-39452 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.11 CCc1c(scn1)C DA-39425 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.11 CCn1cncc1I DA-29397 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.11 Cc1c(ccs1)C#N DA-25903 [1,1,0,0,0,0|0,0,2]=4 70 B8R1.11 Cc1c(ncs1)CO DA-37097 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.11 Cc1cscc1C=C DA-23675 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.1 CCCc1ccc(cn1)Br DA-37809 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.1 Cc1ccc(cn1)CCBr DA-38792 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.1 Cc1ccc(cn1)CCCl DA-38785 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.1 Cc1ccc(nc1)CCO DA-37120 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.1 c1cc(ccc1CCCl)I DA-31416 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.1 c1cc(ncc1Br)CCN DA-37808 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.1 c1cc(ncc1Cl)CCN DA-38905 [0,1,0,0,0,1|1,0,0]=3 79 B10R1.4 CCCc1c(=O)[nH]ccn1 DA-23242 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.4 Cc1cccnc1CCN DA-23374 [0,1,0,0,0,1|1,0,0]=3 81 B10R1.4 c1ccc(c(c1)CCCl)F DA-31423 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.10 CCCc1cccc(c1)Br DA-29653 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.10 CCCc1ccnc(c1)N DA-38978 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.10 Cc1cccc(c1)CCO DA-23326 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.10 Cc1cccc(n1)CCO DA-36020 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.10 c1cc(cc(c1)Cl)CCBr DA-41786 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.10 c1cc(cc(c1)Cl)CCCl DA-29568 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.10 c1cc(cc(c1)Cl)CCO DA-23731 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.10 c1cc(cc(c1)I)CCO DA-23505 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.15 CC(c1ccccc1)ON DA-42022 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.17 c1ccnc(c1)NCCN DA-39978 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.14 CCC(C)c1csc(n1)N DA-38973 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.54 CN(C)Cc1cc(sc1)Br DA-45658 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.11 c1cscc1C(CCN)O DA-24344 [0,2,0,0,0,0|0,0,0]=2 95 B10R1.149 CCC(c1cscc1C)N DA-30929 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.66 CC(=O)CCc1cnsc1 DA-48318 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.66 CC(=O)CCc1cscn1 DA-48316 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.66 CN(C)CCc1cscn1 DA-40712 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.281 CC(C)(Cc1cccs1)N DA-25968 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.281 CC(C)(Cc1ccsc1)N DA-25967 [0,2,0,0,0,0|0,0,0]=2 101 B10R1.281 c1cscc1CS(=O)(=O)O DA-23203 [0,2,0,0,0,0|2,0,0]=4 102 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [0,0,0,1,0,1|2,0,0]=4 103 B10R2.6 c1ccnc(c1)C2CC2 DA-26302 [0,0,0,1,0,1|2,0,0]=4 104 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [0,0,0,1,0,1|2,0,0]=4 105 B10R2.7 c1cc2c(nc1)CCN2 DA-27427 [0,0,0,1,0,1|1,0,0]=3 106 B10R2.14 c1c(nsc1N)C2CC2 DA-23681 [0,1,0,1,0,0|2,0,0]=4 107 B10R2.32 c1csc2c1C(CC2)N DA-38252 [0,1,0,1,0,0|1,0,0]=3