0 B10R1.172 COc1cccc(c1)SC CSC000044647 [0,0,0,0,0,0|0,1,0]=1 1 B10R1.172 CSc1cc(ccn1)C#N CSC011326727 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.2 CNc1cccc(c1)Cl CSC000220044 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.2 CNc1cccc(c1)I CSC000221217 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 COc1cccc(c1)Br CSC000170001 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.2 COc1cccc(c1)Cl CSC000170018 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.2 COc1cccc(c1)I CSC000171673 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.2 CSc1cccc(c1)Br CSC011215954 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.2 CSc1cccc(c1)Cl CSC000033908 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.2 CSc1cccc(c1)F CSC000067534 [1,0,0,0,0,0|1,1,0]=3 10 B11R1.9 COc1cc(cc(c1)C#N)Cl CSC012002591 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.9 COc1cc(cc(c1)C#N)F CSC011934544 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.189 CCOc1cccc(c1)CO CSC011232711 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.189 CCSc1cccc(c1)OC CSC000031258 [0,1,0,0,0,0|0,1,0]=2 14 B11R1.189 COc1cccc(c1)CSC CSC000051361 [0,1,0,0,0,0|0,1,0]=2 15 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CSC000006736 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] CSC000061305 [0,1,0,0,0,0|2,1,0]=4 17 B11R1.280 COc1cc(ccc1Br)C#N CSC012356288 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.2 CNc1cccc(c1C)Cl CSC000220383 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.2 CNc1cccc(c1F)F CSC011410080 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.2 COc1cccc(c1Br)C CSC010191535 [1,1,0,0,0,0|0,0,0]=2 21 B10R1.2 COc1cccc(c1C)Cl CSC000038763 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.2 COc1cccc(c1Cl)Cl CSC000005874 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.2 COc1cccc(c1F)C CSC012000584 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.2 COc1cccc(c1F)Cl CSC000035491 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.2 COc1cccc(c1F)F CSC000034306 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.2 COc1cccc(c1I)F CSC000041735 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.8 CNc1cc(cc(c1)F)F CSC011233154 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.8 COc1cc(cc(c1)Br)Cl CSC010232472 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.8 COc1cc(cc(c1)Br)F CSC011934182 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.8 COc1cc(cc(c1)Cl)Cl CSC000006878 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.8 COc1cc(cc(c1)Cl)F CSC000035575 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.8 COc1cc(cc(c1)F)F CSC000763127 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|0,1,0]=3 36 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|1,1,0]=4 37 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|1,1,0]=4 38 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|1,1,0]=4 39 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|1,1,0]=4 40 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.30 COc1cc(ccc1Br)Cl CSC009814061 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.30 COc1cc(ccc1C)Br CSC011830276 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.30 COc1cc(ccc1C)Cl CSC011219340 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.30 COc1cc(ccc1C)F CSC011219959 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.30 COc1cc(ccc1Cl)Br CSC000742348 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.30 COc1cc(ccc1Cl)Cl CSC000170754 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.30 COc1cc(ccc1F)Br CSC011934186 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.30 COc1cc(ccc1F)F CSC011214905 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,1,0,0,0,0|0,1,0]=3 52 B10R1.30 CSc1cc(ccc1Cl)Cl CSC000001111 [1,1,0,0,0,0|1,1,0]=4 53 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.176 COc1ccc(=O)n(n1)C CSC009892526 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,1,0,0,0,0|0,1,0]=3 72 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,1,0,0,0,0|1,1,0]=4 73 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,1,0,0,0,0|1,1,0]=4 74 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F CSC000687468 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.278 CCOc1cccc(c1)CNC CSC000215801 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.278 CCOc1cccc(c1)OCC CSC000034195 [0,2,0,0,0,0|0,0,0]=2 77 B12R1.279 CCOc1cccc(c1)C(=O)N CSC000027222 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.279 CCOc1cccc(c1)C(C)O CSC011305084 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] CSC000006681 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.382 C=CCOc1cccc(c1)C#N CSC000172524 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.382 CCCOc1cccc(c1)C#N CSC000172522 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.382 CCCOc1cccc(c1)CO CSC011232721 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.382 CCNCc1cccc(c1)OC CSC000201205 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.382 CCSCc1cccc(c1)OC CSC000044552 [0,2,0,0,0,0|0,1,0]=3 85 B12R1.382 COc1cccc(c1)OCC#N CSC000169478 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.382 COc1cccc(c1)OCCO CSC011305813 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.382 COc1cccc(c1)SCCO CSC011235993 [0,2,0,0,0,0|0,1,0]=3 88 B12R1.435 CCc1cccc(n1)C(=O)OC CSC009857250 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.435 CNC(=O)c1cccc(c1)OC CSC000159855 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.435 COC(=O)c1cc(ccn1)OC CSC000066548 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.435 COC(=O)c1cccc(c1)C#N CSC000151112 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.435 COC(=O)c1cccc(c1)OC CSC000148714 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.435 COC(=O)c1cccc(c1)SC CSC009884918 [0,2,0,0,0,0|0,1,0]=3 94 B12R1.435 COC(=O)c1cncc(n1)OC CSC011996600 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.435 CON(C)c1nccc(n1)OC CSC015405518 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.438 CC(=O)Oc1cccc(c1)C#N CSC000001303 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.438 COc1cccc(c1)CC(=O)N CSC000162345 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.438 COc1cccc(c1)NC(=O)N CSC000238924 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.438 COc1cccc(c1)OC(=O)C CSC000001337 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.438 CSc1cccc(c1)NC(=O)C CSC000153993 [0,2,0,0,0,0|1,1,0]=4 101 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] CSC011218782 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] CSC000038251 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] CSC011217944 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.436 COc1cccc(c1)C(F)(F)F CSC000005856 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.436 COc1cccc(c1)S(=O)(=O)C CSC000048133 [0,2,0,0,0,0|0,1,0]=3 106 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] CSC000032247 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.453 COc1ccc(c(c1)C(=O)N)Br CSC000162014 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C CSC000042805 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl CSC000181342 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.1879 COc1cccc(c1SC)OC CSC000041602 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,2,0,0,0,0|0,0,0]=2 114 B12R2.44 COc1ccc2c(c1)OCO2 CSC000005814 [0,1,0,1,0,0|0,0,0]=2 115 B10R1.3 COc1ccc(cc1)SC CSC000007070 [0,0,0,0,1,1|0,1,0]=3