0 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.20 NC(=O)C(O)c1ccc(cc1)Cl CSC011626263 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,1,0,0,0,0|0,0,2]=4 36 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.20 CC(=O)Nc1ccc(cc1)Br CSC000153570 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CSC000154020 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.20 CC(=O)Nc1ccc(cn1)C CSC000016827 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.20 CC(=O)Oc1ccc(cc1)Br CSC009811594 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.20 CC(=O)Oc1ccc(cc1)F CSC000001924 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.20 Cc1ccc(cc1)CC(=O)N CSC000206417 [1,1,0,0,0,0|0,0,0]=2 51 B11R1.20 NC(=O)Cc1ccc(cc1)Br CSC000162331 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.20 NC(=O)Cc1ccc(cc1)F CSC000162278 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.20 NC(=O)Nc1ccc(cc1)Br CSC000198584 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.20 NC(=O)Nc1ccc(cc1)F CSC000222807 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.83 COCc1ccc(cc1)SC CSC010272925 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.83 CSCc1ccc(cc1)SC CSC000051362 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [1,1,0,0,0,0|0,0,1]=3 63 B11R1.3 COc1ccc(cc1)C(C)C CSC000174001 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.3 COc1ccc(cc1)[C@@H](C)O CSC000744170 [1,1,0,0,0,0|0,0,1]=3 65 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.3 CSc1ccc(cc1)C(C)C CSC000044649 [1,1,0,0,0,0|0,0,1]=3 67 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] CSC000039800 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br CSC000765142 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl CSC000181825 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.19 CS(=O)(=O)c1ccc(cc1)O CSC000230201 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C CSC000036735 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.21 Cc1ccc(cc1Br)C(=O)N CSC000186401 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.21 Cc1ccc(cc1C)C(=O)N CSC000162321 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.21 Cc1ccc(cc1Cl)C(=O)N CSC011219532 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.21 Cc1ccc(cc1F)C(=O)N CSC000216902 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.21 Cc1ccc(cc1I)C(=O)N CSC000012956 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.166 Cc1ccc(c(c1)C)C(=O)N CSC000162304 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)N CSC012178794 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.166 Cc1ccc(c(c1)F)C(=O)N CSC000686557 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.133 CC(Nc1ccc(cn1)Br)C(=O)O CSC051419754 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.133 CC(Nc1ccc(cn1)Cl)C(=O)O CSC056939720 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.133 CC(Nc1ccc(cn1)I)C(=O)O CSC056890600 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N CSC000150412 [0,1,0,0,0,1|1,0,0]=3 90 B13R1.133 CC(Oc1ccc(cc1)C)C(=O)N CSC000150499 [0,1,0,0,0,1|0,0,0]=2 91 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N CSC000150547 [0,1,0,0,0,1|1,0,0]=3 92 B13R1.133 CC(Sc1ccc(cc1)C)C(=O)N CSC000149675 [0,1,0,0,0,1|0,0,0]=2 93 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N CSC000150465 [0,1,0,0,0,1|1,0,0]=3 94 B13R1.133 CN(Cc1ccc(cc1)C)C(=O)C CSC000155497 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.133 CN(Cc1ccc(cc1)C)C(=O)N CSC000238865 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.133 C[C@@H](Nc1ccc(cn1)Br)C(=O)O CSC015263983 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.133 C[C@@H](Nc1ccc(cn1)Cl)C(=O)O CSC015919780 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.133 C[C@@H](Nc1ccc(cn1)I)C(=O)O CSC057439611 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.133 C[C@H](Nc1ccc(cn1)Br)C(=O)O CSC015389935 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.133 C[C@H](Nc1ccc(cn1)Cl)C(=O)O CSC015228121 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.133 C[C@H](Nc1ccc(cn1)I)C(=O)O CSC057111767 [0,1,0,0,0,1|2,0,0]=4 102 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N CSC000198182 [0,1,0,0,0,1|1,0,1]=4 103 B13R1.36 COc1ccc(cc1)N(C)C(=O)C CSC000185353 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.452 CCNC(C)c1ccc(cc1)OC CSC000737452 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.522 CC(C)(C(=O)N)c1ccc(cc1)Br CSC009814712 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.522 CC(O)(C(=O)N)c1ccc(cc1)Cl CSC011626179 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Br CSC000153805 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.132 CC(NC(=O)C)c1ccc(cc1)C CSC011237556 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Cl CSC000153794 [0,2,0,0,0,0|1,0,0]=3 110 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.525 CC(c1ccc(cc1)Br)S(=O)(=O)C CSC010271153 [0,2,0,0,0,0|2,0,0]=4 112 B13R2.11634 Cc1cc2ncn(c2cc1C)C CSC000187178 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,0,0,0,0,1|1,0,1]=4 114 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [0,0,0,0,0,2|1,0,1]=4