0 B17R2.71190 CCc1cccc(c1Nc2ncns2)CC 27a_100000211307_100000693119 [0,0,0,0,0,0|3,0,0]=3 1 B17R2.71190 CCc1cccc(c1Nc2nncs2)CC 27a_100000211307_100000739804 [0,0,0,0,0,0|3,0,0]=3 2 B17R2.71190 CCc1cccc(c1Sc2c[nH]cn2)CC 62a_100000756875_100010212195 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.71190 CCc1cccc(c1Sc2c[nH]cn2)CC 62a_100010212195_100000756875 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.71190 CCc1cccc(c1Sc2c[nH]nn2)CC 62a_100009819707_100010212195 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.71190 CCc1cccc(c1Sc2c[nH]nn2)CC 62a_100010212195_100009819707 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.71190 CCc1cccc(c1Sc2cc[nH]n2)CC 62a_100000062575_100010212195 [0,0,0,0,0,0|3,0,0]=3 7 B17R2.71190 CCc1cccc(c1Sc2cc[nH]n2)CC 62a_100010212195_100000062575 [0,0,0,0,0,0|3,0,0]=3 8 B17R2.71190 CCc1cccc(c1Sc2ccco2)CC 62a_100009814098_100010212195 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.71190 CCc1cccc(c1Sc2ccco2)CC 62a_100010212195_100009814098 [0,0,0,0,0,0|3,0,0]=3 10 B17R2.71190 CCc1cccc(c1Sc2cccs2)CC 62a_100010212195_100011215356 [0,0,0,0,0,0|3,0,0]=3 11 B17R2.71190 CCc1cccc(c1Sc2cccs2)CC 62a_100011215356_100010212195 [0,0,0,0,0,0|3,0,0]=3 12 B17R2.71190 CCc1cccc(c1Sc2ccoc2)CC 62a_100010212195_100011215275 [0,0,0,0,0,0|4,0,0]=4 13 B17R2.71190 CCc1cccc(c1Sc2ccoc2)CC 62a_100011215275_100010212195 [0,0,0,0,0,0|4,0,0]=4 14 B17R2.71190 CCc1cccc(c1Sc2ccon2)CC 62a_100009818083_100010212195 [0,0,0,0,0,0|3,0,0]=3 15 B17R2.71190 CCc1cccc(c1Sc2ccon2)CC 62a_100010212195_100009818083 [0,0,0,0,0,0|3,0,0]=3 16 B17R2.71190 CCc1cccc(c1Sc2ccsc2)CC 62a_100000738268_100010212195 [0,0,0,0,0,0|4,0,0]=4 17 B17R2.71190 CCc1cccc(c1Sc2ccsc2)CC 62a_100010212195_100000738268 [0,0,0,0,0,0|4,0,0]=4 18 B17R2.71190 CCc1cccc(c1Sc2ccsn2)CC 62a_100009818082_100010212195 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.71190 CCc1cccc(c1Sc2ccsn2)CC 62a_100010212195_100009818082 [0,0,0,0,0,0|3,0,0]=3 20 B17R2.71190 CCc1cccc(c1Sc2cnco2)CC 62a_100010212195_100020591547 [0,0,0,0,0,0|4,0,0]=4 21 B17R2.71190 CCc1cccc(c1Sc2cnco2)CC 62a_100020591547_100010212195 [0,0,0,0,0,0|4,0,0]=4 22 B17R2.71190 CCc1cccc(c1Sc2cncs2)CC 62a_100010212195_100011934649 [0,0,0,0,0,0|4,0,0]=4 23 B17R2.71190 CCc1cccc(c1Sc2cncs2)CC 62a_100011934649_100010212195 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.71190 CCc1cccc(c1Sc2cscn2)CC 62a_100000751502_100010212195 [0,0,0,0,0,0|3,0,0]=3 25 B17R2.71190 CCc1cccc(c1Sc2cscn2)CC 62a_100010212195_100000751502 [0,0,0,0,0,0|3,0,0]=3 26 B17R2.71190 CCc1cccc(c1Sc2nc[nH]n2)CC 62a_100000761765_100010212195 [0,0,0,0,0,0|2,0,1]=3 27 B17R2.71190 CCc1cccc(c1Sc2nc[nH]n2)CC 62a_100010212195_100000761765 [0,0,0,0,0,0|2,0,1]=3 28 B17R2.71190 CCc1cccc(c1Sc2ncc[nH]2)CC 62a_100010212195_100025796157 [0,0,0,0,0,0|1,0,0]=1 29 B17R2.71190 CCc1cccc(c1Sc2ncc[nH]2)CC 62a_100025796157_100010212195 [0,0,0,0,0,0|1,0,0]=1 30 B17R2.71190 CCc1cccc(c1Sc2ncco2)CC 62a_100010212195_100011787736 [0,0,0,0,0,0|2,0,0]=2 31 B17R2.71190 CCc1cccc(c1Sc2ncco2)CC 62a_100011787736_100010212195 [0,0,0,0,0,0|2,0,0]=2 32 B17R2.71190 CCc1cccc(c1Sc2nccs2)CC 62a_100000211983_100010212195 [0,0,0,0,0,0|2,0,0]=2 33 B17R2.71190 CCc1cccc(c1Sc2nccs2)CC 62a_100010212195_100000211983 [0,0,0,0,0,0|2,0,0]=2 34 B17R2.71190 CCc1cccc(c1Sc2ncns2)CC 62a_100000693119_100010212195 [0,0,0,0,0,0|3,0,0]=3 35 B17R2.71190 CCc1cccc(c1Sc2ncns2)CC 62a_100010212195_100000693119 [0,0,0,0,0,0|3,0,0]=3 36 B17R2.71190 CCc1cccc(c1Sc2nncs2)CC 62a_100000739804_100010212195 [0,0,0,0,0,0|3,0,0]=3 37 B17R2.71190 CCc1cccc(c1Sc2nncs2)CC 62a_100010212195_100000739804 [0,0,0,0,0,0|3,0,0]=3 38 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)C=O 62a_100010209554_100025796157 [0,0,0,0,0,0|3,0,1]=4 39 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)C=O 62a_100025796157_100010209554 [0,0,0,0,0,0|3,0,1]=4 40 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)CO 62a_100010236476_100025796157 [0,0,0,0,0,0|3,0,0]=3 41 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)CO 62a_100025796157_100010236476 [0,0,0,0,0,0|3,0,0]=3 42 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)OC 62a_100000690108_100025796157 [0,0,0,0,0,0|3,0,0]=3 43 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)OC 62a_100025796157_100000690108 [0,0,0,0,0,0|3,0,0]=3 44 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100010236476_100011787736 [0,0,0,0,0,0|4,0,0]=4 45 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100011787736_100010236476 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100000690108_100011787736 [0,0,0,0,0,0|4,0,0]=4 47 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100011787736_100000690108 [0,0,0,0,0,0|4,0,0]=4 48 B17R2.71190 COc1cccc(c1Sc2nccs2)CO 62a_100000211983_100010236476 [0,0,0,0,0,0|4,0,0]=4 49 B17R2.71190 COc1cccc(c1Sc2nccs2)CO 62a_100010236476_100000211983 [0,0,0,0,0,0|4,0,0]=4 50 B17R2.71190 COc1cccc(c1Sc2nccs2)OC 62a_100000211983_100000690108 [0,0,0,0,0,0|4,0,0]=4 51 B17R2.71190 COc1cccc(c1Sc2nccs2)OC 62a_100000690108_100000211983 [0,0,0,0,0,0|4,0,0]=4 52 B17R2.71190 COc1ccnc(c1Sc2ncc[nH]2)OC 62a_100010114374_100025796157 [0,0,0,0,0,0|4,0,0]=4 53 B17R2.71190 COc1ccnc(c1Sc2ncc[nH]2)OC 62a_100025796157_100010114374 [0,0,0,0,0,0|4,0,0]=4 54 B17R2.71190 COc1cncc(c1Sc2ncc[nH]2)OC 62a_100025796157_200010191558 [0,0,0,0,0,0|4,0,0]=4 55 B17R2.71190 COc1cncc(c1Sc2ncc[nH]2)OC 62a_200010191558_100025796157 [0,0,0,0,0,0|4,0,0]=4 56 B16R2.41276 CCc1cccc(c1Nc2ncns2)C 27a_100000210048_100000693119 [1,0,0,0,0,0|3,0,0]=4 57 B16R2.41276 CCc1cccc(c1Nc2nncs2)C 27a_100000210048_100000739804 [1,0,0,0,0,0|3,0,0]=4 58 B16R2.41276 CCc1cccc(c1Sc2c[nH]cn2)C 62a_100000036235_100000756875 [1,0,0,0,0,0|3,0,0]=4 59 B16R2.41276 CCc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100000036235 [1,0,0,0,0,0|3,0,0]=4 60 B16R2.41276 CCc1cccc(c1Sc2cc[nH]n2)C 62a_100000036235_100000062575 [1,0,0,0,0,0|3,0,0]=4 61 B16R2.41276 CCc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100000036235 [1,0,0,0,0,0|3,0,0]=4 62 B16R2.41276 CCc1cccc(c1Sc2ccco2)C 62a_100000036235_100009814098 [1,0,0,0,0,0|3,0,0]=4 63 B16R2.41276 CCc1cccc(c1Sc2ccco2)C 62a_100009814098_100000036235 [1,0,0,0,0,0|3,0,0]=4 64 B16R2.41276 CCc1cccc(c1Sc2cccs2)C 62a_100000036235_100011215356 [1,0,0,0,0,0|3,0,0]=4 65 B16R2.41276 CCc1cccc(c1Sc2cccs2)C 62a_100011215356_100000036235 [1,0,0,0,0,0|3,0,0]=4 66 B16R2.41276 CCc1cccc(c1Sc2ccon2)C 62a_100000036235_100009818083 [1,0,0,0,0,0|3,0,0]=4 67 B16R2.41276 CCc1cccc(c1Sc2ccon2)C 62a_100009818083_100000036235 [1,0,0,0,0,0|3,0,0]=4 68 B16R2.41276 CCc1cccc(c1Sc2ccsn2)C 62a_100000036235_100009818082 [1,0,0,0,0,0|3,0,0]=4 69 B16R2.41276 CCc1cccc(c1Sc2ccsn2)C 62a_100009818082_100000036235 [1,0,0,0,0,0|3,0,0]=4 70 B16R2.41276 CCc1cccc(c1Sc2cscn2)C 62a_100000036235_100000751502 [1,0,0,0,0,0|3,0,0]=4 71 B16R2.41276 CCc1cccc(c1Sc2cscn2)C 62a_100000751502_100000036235 [1,0,0,0,0,0|3,0,0]=4 72 B16R2.41276 CCc1cccc(c1Sc2nc[nH]n2)C 62a_100000036235_100000761765 [1,0,0,0,0,0|2,0,1]=4 73 B16R2.41276 CCc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100000036235 [1,0,0,0,0,0|2,0,1]=4 74 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100000036235_100025796157 [1,0,0,0,0,0|1,0,0]=2 75 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000036235 [1,0,0,0,0,0|1,0,0]=2 76 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100000036235_100011787736 [1,0,0,0,0,0|2,0,0]=3 77 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100011787736_100000036235 [1,0,0,0,0,0|2,0,0]=3 78 B16R2.41276 CCc1cccc(c1Sc2nccs2)C 62a_100000036235_100000211983 [1,0,0,0,0,0|2,0,0]=3 79 B16R2.41276 CCc1cccc(c1Sc2nccs2)C 62a_100000211983_100000036235 [1,0,0,0,0,0|2,0,0]=3 80 B16R2.41276 CCc1cccc(c1Sc2ncns2)C 62a_100000036235_100000693119 [1,0,0,0,0,0|3,0,0]=4 81 B16R2.41276 CCc1cccc(c1Sc2ncns2)C 62a_100000693119_100000036235 [1,0,0,0,0,0|3,0,0]=4 82 B16R2.41276 CCc1cccc(c1Sc2nncs2)C 62a_100000036235_100000739804 [1,0,0,0,0,0|3,0,0]=4 83 B16R2.41276 CCc1cccc(c1Sc2nncs2)C 62a_100000739804_100000036235 [1,0,0,0,0,0|3,0,0]=4 84 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)Br 62a_100010131421_100025796157 [1,0,0,0,0,0|3,0,0]=4 85 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010131421 [1,0,0,0,0,0|3,0,0]=4 86 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100010191535_100025796157 [1,0,0,0,0,0|2,0,0]=3 87 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100010191535 [1,0,0,0,0,0|2,0,0]=3 88 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)F 62a_100000703912_100025796157 [1,0,0,0,0,0|3,0,0]=4 89 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100000703912 [1,0,0,0,0,0|3,0,0]=4 90 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)N 62a_100000703447_100025796157 [1,0,0,0,0,0|3,0,0]=4 91 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100000703447 [1,0,0,0,0,0|3,0,0]=4 92 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100010202623 [1,0,0,0,0,0|3,0,0]=4 93 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100010191535_100011787736 [1,0,0,0,0,0|3,0,0]=4 94 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100011787736_100010191535 [1,0,0,0,0,0|3,0,0]=4 95 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100000211983_100010191535 [1,0,0,0,0,0|3,0,0]=4 96 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100010191535_100000211983 [1,0,0,0,0,0|3,0,0]=4 97 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)C 62a_100012353928_100025796157 [1,0,0,0,0,0|3,0,0]=4 98 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)C 62a_100025796157_100012353928 [1,0,0,0,0,0|3,0,0]=4 99 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C#N 62a_100025796157_100011934862 [1,0,0,0,0,0|2,0,1]=4 100 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C=O 62a_100012186367_100025796157 [1,0,0,0,0,0|2,0,1]=4 101 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C=O 62a_100025796157_100012186367 [1,0,0,0,0,0|2,0,1]=4 102 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100011659289_100025796157 [1,0,0,0,0,0|2,0,0]=3 103 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100025796157_100011659289 [1,0,0,0,0,0|2,0,0]=3 104 B16R2.41276 Cc1cccc(c1Sc2ncco2)CO 62a_100011659289_100011787736 [1,0,0,0,0,0|3,0,0]=4 105 B16R2.41276 Cc1cccc(c1Sc2ncco2)CO 62a_100011787736_100011659289 [1,0,0,0,0,0|3,0,0]=4 106 B16R2.41276 Cc1cccc(c1Sc2nccs2)CO 62a_100000211983_100011659289 [1,0,0,0,0,0|3,0,0]=4 107 B16R2.41276 Cc1cccc(c1Sc2nccs2)CO 62a_100011659289_100000211983 [1,0,0,0,0,0|3,0,0]=4 108 B16R2.41276 NCc1cccc(c1Sc2ncc[nH]2)F 62a_100020638964_100025796157 [1,0,0,0,0,0|3,0,0]=4 109 B16R2.41276 NCc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100020638964 [1,0,0,0,0,0|3,0,0]=4 110 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)Br 62a_100010146604_100025796157 [1,0,0,0,0,0|3,0,0]=4 111 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010146604 [1,0,0,0,0,0|3,0,0]=4 112 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)F 62a_100012351117_100025796157 [1,0,0,0,0,0|3,0,0]=4 113 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100012351117 [1,0,0,0,0,0|3,0,0]=4 114 B18R2.6632 CCc1cc(cc(c1Nc2ncns2)CC)Br 27a_100011216614_100000693119 [0,1,0,0,0,0|3,0,0]=4 115 B18R2.6632 CCc1cc(cc(c1Nc2ncns2)CC)C 27a_100000061337_100000693119 [0,1,0,0,0,0|3,0,0]=4 116 B18R2.6632 CCc1cc(cc(c1Nc2nncs2)CC)Br 27a_100011216614_100000739804 [0,1,0,0,0,0|3,0,0]=4 117 B18R2.6632 CCc1cc(cc(c1Nc2nncs2)CC)C 27a_100000061337_100000739804 [0,1,0,0,0,0|3,0,0]=4 118 B18R2.6632 CCc1cc(cc(c1Sc2c[nH]cn2)CC)Br 62a_100000756875_100010205833 [0,1,0,0,0,0|3,0,0]=4 119 B18R2.6632 CCc1cc(cc(c1Sc2c[nH]cn2)CC)Br 62a_100010205833_100000756875 [0,1,0,0,0,0|3,0,0]=4 120 B18R2.6632 CCc1cc(cc(c1Sc2c[nH]cn2)CC)C 62a_100000756875_100010203090 [0,1,0,0,0,0|3,0,0]=4 121 B18R2.6632 CCc1cc(cc(c1Sc2c[nH]cn2)CC)C 62a_100010203090_100000756875 [0,1,0,0,0,0|3,0,0]=4 122 B18R2.6632 CCc1cc(cc(c1Sc2cc[nH]n2)CC)Br 62a_100000062575_100010205833 [0,1,0,0,0,0|3,0,0]=4 123 B18R2.6632 CCc1cc(cc(c1Sc2cc[nH]n2)CC)Br 62a_100010205833_100000062575 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.6632 CCc1cc(cc(c1Sc2cc[nH]n2)CC)C 62a_100000062575_100010203090 [0,1,0,0,0,0|3,0,0]=4 125 B18R2.6632 CCc1cc(cc(c1Sc2cc[nH]n2)CC)C 62a_100010203090_100000062575 [0,1,0,0,0,0|3,0,0]=4 126 B18R2.6632 CCc1cc(cc(c1Sc2ccco2)CC)Br 62a_100009814098_100010205833 [0,1,0,0,0,0|3,0,0]=4 127 B18R2.6632 CCc1cc(cc(c1Sc2ccco2)CC)Br 62a_100010205833_100009814098 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.6632 CCc1cc(cc(c1Sc2ccco2)CC)C 62a_100009814098_100010203090 [0,1,0,0,0,0|3,0,0]=4 129 B18R2.6632 CCc1cc(cc(c1Sc2ccco2)CC)C 62a_100010203090_100009814098 [0,1,0,0,0,0|3,0,0]=4 130 B18R2.6632 CCc1cc(cc(c1Sc2cccs2)CC)Br 62a_100010205833_100011215356 [0,1,0,0,0,0|3,0,0]=4 131 B18R2.6632 CCc1cc(cc(c1Sc2cccs2)CC)Br 62a_100011215356_100010205833 [0,1,0,0,0,0|3,0,0]=4 132 B18R2.6632 CCc1cc(cc(c1Sc2cccs2)CC)C 62a_100010203090_100011215356 [0,1,0,0,0,0|3,0,0]=4 133 B18R2.6632 CCc1cc(cc(c1Sc2cccs2)CC)C 62a_100011215356_100010203090 [0,1,0,0,0,0|3,0,0]=4 134 B18R2.6632 CCc1cc(cc(c1Sc2ccon2)CC)Br 62a_100009818083_100010205833 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.6632 CCc1cc(cc(c1Sc2ccon2)CC)Br 62a_100010205833_100009818083 [0,1,0,0,0,0|3,0,0]=4 136 B18R2.6632 CCc1cc(cc(c1Sc2ccon2)CC)C 62a_100009818083_100010203090 [0,1,0,0,0,0|3,0,0]=4 137 B18R2.6632 CCc1cc(cc(c1Sc2ccon2)CC)C 62a_100010203090_100009818083 [0,1,0,0,0,0|3,0,0]=4 138 B18R2.6632 CCc1cc(cc(c1Sc2ccsn2)CC)Br 62a_100009818082_100010205833 [0,1,0,0,0,0|3,0,0]=4 139 B18R2.6632 CCc1cc(cc(c1Sc2ccsn2)CC)Br 62a_100010205833_100009818082 [0,1,0,0,0,0|3,0,0]=4 140 B18R2.6632 CCc1cc(cc(c1Sc2ccsn2)CC)C 62a_100009818082_100010203090 [0,1,0,0,0,0|3,0,0]=4 141 B18R2.6632 CCc1cc(cc(c1Sc2ccsn2)CC)C 62a_100010203090_100009818082 [0,1,0,0,0,0|3,0,0]=4 142 B18R2.6632 CCc1cc(cc(c1Sc2cscn2)CC)Br 62a_100000751502_100010205833 [0,1,0,0,0,0|3,0,0]=4 143 B18R2.6632 CCc1cc(cc(c1Sc2cscn2)CC)Br 62a_100010205833_100000751502 [0,1,0,0,0,0|3,0,0]=4 144 B18R2.6632 CCc1cc(cc(c1Sc2cscn2)CC)C 62a_100000751502_100010203090 [0,1,0,0,0,0|3,0,0]=4 145 B18R2.6632 CCc1cc(cc(c1Sc2cscn2)CC)C 62a_100010203090_100000751502 [0,1,0,0,0,0|3,0,0]=4 146 B18R2.6632 CCc1cc(cc(c1Sc2nc[nH]n2)CC)Br 62a_100000761765_100010205833 [0,1,0,0,0,0|2,0,1]=4 147 B18R2.6632 CCc1cc(cc(c1Sc2nc[nH]n2)CC)Br 62a_100010205833_100000761765 [0,1,0,0,0,0|2,0,1]=4 148 B18R2.6632 CCc1cc(cc(c1Sc2nc[nH]n2)CC)C 62a_100000761765_100010203090 [0,1,0,0,0,0|2,0,1]=4 149 B18R2.6632 CCc1cc(cc(c1Sc2nc[nH]n2)CC)C 62a_100010203090_100000761765 [0,1,0,0,0,0|2,0,1]=4 150 B18R2.6632 CCc1cc(cc(c1Sc2ncc[nH]2)CC)Br 62a_100010205833_100025796157 [0,1,0,0,0,0|1,0,0]=2 151 B18R2.6632 CCc1cc(cc(c1Sc2ncc[nH]2)CC)Br 62a_100025796157_100010205833 [0,1,0,0,0,0|1,0,0]=2 152 B18R2.6632 CCc1cc(cc(c1Sc2ncc[nH]2)CC)C 62a_100010203090_100025796157 [0,1,0,0,0,0|1,0,0]=2 153 B18R2.6632 CCc1cc(cc(c1Sc2ncc[nH]2)CC)C 62a_100025796157_100010203090 [0,1,0,0,0,0|1,0,0]=2 154 B18R2.6632 CCc1cc(cc(c1Sc2ncco2)CC)Br 62a_100010205833_100011787736 [0,1,0,0,0,0|2,0,0]=3 155 B18R2.6632 CCc1cc(cc(c1Sc2ncco2)CC)Br 62a_100011787736_100010205833 [0,1,0,0,0,0|2,0,0]=3 156 B18R2.6632 CCc1cc(cc(c1Sc2ncco2)CC)C 62a_100010203090_100011787736 [0,1,0,0,0,0|2,0,0]=3 157 B18R2.6632 CCc1cc(cc(c1Sc2ncco2)CC)C 62a_100011787736_100010203090 [0,1,0,0,0,0|2,0,0]=3 158 B18R2.6632 CCc1cc(cc(c1Sc2nccs2)CC)Br 62a_100000211983_100010205833 [0,1,0,0,0,0|2,0,0]=3 159 B18R2.6632 CCc1cc(cc(c1Sc2nccs2)CC)Br 62a_100010205833_100000211983 [0,1,0,0,0,0|2,0,0]=3 160 B18R2.6632 CCc1cc(cc(c1Sc2nccs2)CC)C 62a_100000211983_100010203090 [0,1,0,0,0,0|2,0,0]=3 161 B18R2.6632 CCc1cc(cc(c1Sc2nccs2)CC)C 62a_100010203090_100000211983 [0,1,0,0,0,0|2,0,0]=3 162 B18R2.6632 CCc1cc(cc(c1Sc2ncns2)CC)Br 62a_100000693119_100010205833 [0,1,0,0,0,0|3,0,0]=4 163 B18R2.6632 CCc1cc(cc(c1Sc2ncns2)CC)Br 62a_100010205833_100000693119 [0,1,0,0,0,0|3,0,0]=4 164 B18R2.6632 CCc1cc(cc(c1Sc2ncns2)CC)C 62a_100000693119_100010203090 [0,1,0,0,0,0|3,0,0]=4 165 B18R2.6632 CCc1cc(cc(c1Sc2ncns2)CC)C 62a_100010203090_100000693119 [0,1,0,0,0,0|3,0,0]=4 166 B18R2.6632 CCc1cc(cc(c1Sc2nncs2)CC)Br 62a_100000739804_100010205833 [0,1,0,0,0,0|3,0,0]=4 167 B18R2.6632 CCc1cc(cc(c1Sc2nncs2)CC)Br 62a_100010205833_100000739804 [0,1,0,0,0,0|3,0,0]=4 168 B18R2.6632 CCc1cc(cc(c1Sc2nncs2)CC)C 62a_100000739804_100010203090 [0,1,0,0,0,0|3,0,0]=4 169 B18R2.6632 CCc1cc(cc(c1Sc2nncs2)CC)C 62a_100010203090_100000739804 [0,1,0,0,0,0|3,0,0]=4 170 B18R2.54661 CCOc1cccc(c1Sc2ncc[nH]2)C=O 62a_100025796157_200011094417 [0,1,0,0,0,0|2,0,1]=4 171 B18R2.54661 CCOc1cccc(c1Sc2ncc[nH]2)C=O 62a_200011094417_100025796157 [0,1,0,0,0,0|2,0,1]=4 172 B18R2.114347 CCc1ccc(c(c1Nc2ncns2)CC)Cl 27a_100000211528_100000693119 [0,1,0,0,0,0|3,0,0]=4 173 B18R2.114347 CCc1ccc(c(c1Nc2nncs2)CC)Cl 27a_100000211528_100000739804 [0,1,0,0,0,0|3,0,0]=4 174 B18R2.114347 COc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_100025796157_200010942130 [0,1,0,0,0,0|3,0,0]=4 175 B18R2.114347 COc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_200010942130_100025796157 [0,1,0,0,0,0|3,0,0]=4 176 B18R2.114347 COc1ccc(c(c1Sc2ncc[nH]2)SC)F 62a_100025796157_200021624531 [0,1,0,0,0,0|3,0,0]=4 177 B18R2.114347 COc1ccc(c(c1Sc2ncc[nH]2)SC)F 62a_200021624531_100025796157 [0,1,0,0,0,0|3,0,0]=4 178 B18R2.117982 CCc1cccc(c1Nc2nc(ns2)C)CC 27a_100000211307_100000709739 [0,1,0,0,0,0|3,0,0]=4 179 B18R2.117982 CCc1cccc(c1Nc2nnc(o2)C)CC 27a_100000211307_100000708914 [0,1,0,0,0,0|3,0,0]=4 180 B18R2.117982 CCc1cccc(c1Nc2nnc(s2)C)CC 27a_100000211307_100000686958 [0,1,0,0,0,0|3,0,0]=4 181 B18R2.117982 CCc1cccc(c1Nc2nnc(s2)N)CC 27a_100000211307_100000738278 [0,1,0,0,0,0|3,0,0]=4 182 B18R2.117982 CCc1cccc(c1Nc2noc(n2)C)CC 27a_100000211307_100012003639 [0,1,0,0,0,0|2,0,1]=4 183 B18R2.117982 CCc1cccc(c1Sc2c[nH]c(n2)C)CC 62a_100009814057_100010212195 [0,1,0,0,0,0|3,0,0]=4 184 B18R2.117982 CCc1cccc(c1Sc2c[nH]c(n2)C)CC 62a_100010212195_100009814057 [0,1,0,0,0,0|3,0,0]=4 185 B18R2.117982 CCc1cccc(c1Sc2cc([nH]n2)C)CC 62a_100009819999_100010212195 [0,1,0,0,0,0|3,0,0]=4 186 B18R2.117982 CCc1cccc(c1Sc2cc([nH]n2)C)CC 62a_100010212195_100009819999 [0,1,0,0,0,0|3,0,0]=4 187 B18R2.117982 CCc1cccc(c1Sc2cc([nH]n2)N)CC 62a_100009822546_100010212195 [0,1,0,0,0,0|3,0,0]=4 188 B18R2.117982 CCc1cccc(c1Sc2cc([nH]n2)N)CC 62a_100010212195_100009822546 [0,1,0,0,0,0|3,0,0]=4 189 B18R2.117982 CCc1cccc(c1Sc2cc(cs2)C)CC 62a_100009876951_100010212195 [0,1,0,0,0,0|3,0,0]=4 190 B18R2.117982 CCc1cccc(c1Sc2cc(cs2)C)CC 62a_100010212195_100009876951 [0,1,0,0,0,0|3,0,0]=4 191 B18R2.117982 CCc1cccc(c1Sc2cc(n[nH]2)Br)CC 62a_100010212195_100160470719 [0,1,0,0,0,0|3,0,0]=4 192 B18R2.117982 CCc1cccc(c1Sc2cc(n[nH]2)Br)CC 62a_100160470719_100010212195 [0,1,0,0,0,0|3,0,0]=4 193 B18R2.117982 CCc1cccc(c1Sc2cc(on2)C)CC 62a_100000716708_100010212195 [0,1,0,0,0,0|3,0,0]=4 194 B18R2.117982 CCc1cccc(c1Sc2cc(on2)C)CC 62a_100010212195_100000716708 [0,1,0,0,0,0|3,0,0]=4 195 B18R2.117982 CCc1cccc(c1Sc2ccc(s2)Br)CC 62a_100010197418_100010212195 [0,1,0,0,0,0|3,0,0]=4 196 B18R2.117982 CCc1cccc(c1Sc2ccc(s2)Br)CC 62a_100010212195_100010197418 [0,1,0,0,0,0|3,0,0]=4 197 B18R2.117982 CCc1cccc(c1Sc2ccc(s2)C)CC 62a_100000031368_100010212195 [0,1,0,0,0,0|3,0,0]=4 198 B18R2.117982 CCc1cccc(c1Sc2ccc(s2)C)CC 62a_100010212195_100000031368 [0,1,0,0,0,0|3,0,0]=4 199 B18R2.117982 CCc1cccc(c1Sc2ccn(n2)C)CC 62a_100000752436_100010212195 [0,1,0,0,0,0|3,0,0]=4 200 B18R2.117982 CCc1cccc(c1Sc2ccn(n2)C)CC 62a_100010212195_100000752436 [0,1,0,0,0,0|3,0,0]=4 201 B18R2.117982 CCc1cccc(c1Sc2cn(cn2)C)CC 62a_100000040308_100010212195 [0,1,0,0,0,0|3,0,0]=4 202 B18R2.117982 CCc1cccc(c1Sc2cn(cn2)C)CC 62a_100010212195_100000040308 [0,1,0,0,0,0|3,0,0]=4 203 B18R2.117982 CCc1cccc(c1Sc2csc(n2)C)CC 62a_100010212195_100011934587 [0,1,0,0,0,0|3,0,0]=4 204 B18R2.117982 CCc1cccc(c1Sc2csc(n2)C)CC 62a_100011934587_100010212195 [0,1,0,0,0,0|3,0,0]=4 205 B18R2.117982 CCc1cccc(c1Sc2csc(n2)N)CC 62a_100010212195_100011998049 [0,1,0,0,0,0|3,0,0]=4 206 B18R2.117982 CCc1cccc(c1Sc2csc(n2)N)CC 62a_100011998049_100010212195 [0,1,0,0,0,0|3,0,0]=4 207 B18R2.117982 CCc1cccc(c1Sc2n[nH]c(n2)C)CC 62a_100000732540_100010212195 [0,1,0,0,0,0|2,0,1]=4 208 B18R2.117982 CCc1cccc(c1Sc2n[nH]c(n2)C)CC 62a_100010212195_100000732540 [0,1,0,0,0,0|2,0,1]=4 209 B18R2.117982 CCc1cccc(c1Sc2n[nH]c(n2)N)CC 62a_100010212195_100015184587 [0,1,0,0,0,0|2,0,1]=4 210 B18R2.117982 CCc1cccc(c1Sc2n[nH]c(n2)N)CC 62a_100015184587_100010212195 [0,1,0,0,0,0|2,0,1]=4 211 B18R2.117982 CCc1cccc(c1Sc2nc(c[nH]2)C)CC 62a_100010212195_100161115468 [0,1,0,0,0,0|1,0,0]=2 212 B18R2.117982 CCc1cccc(c1Sc2nc(c[nH]2)C)CC 62a_100161115468_100010212195 [0,1,0,0,0,0|1,0,0]=2 213 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)Br)CC 62a_100010212195_200016082925 [0,1,0,0,0,0|2,0,0]=3 214 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)Br)CC 62a_200016082925_100010212195 [0,1,0,0,0,0|2,0,0]=3 215 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)C)CC 62a_100010212195_100011291629 [0,1,0,0,0,0|2,0,0]=3 216 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)C)CC 62a_100011291629_100010212195 [0,1,0,0,0,0|2,0,0]=3 217 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)N)CC 62a_100010212195_200015188442 [0,1,0,0,0,0|2,0,0]=3 218 B18R2.117982 CCc1cccc(c1Sc2nc(cs2)N)CC 62a_200015188442_100010212195 [0,1,0,0,0,0|2,0,0]=3 219 B18R2.117982 CCc1cccc(c1Sc2nc(ns2)C)CC 62a_100000709739_100010212195 [0,1,0,0,0,0|3,0,0]=4 220 B18R2.117982 CCc1cccc(c1Sc2nc(ns2)C)CC 62a_100010212195_100000709739 [0,1,0,0,0,0|3,0,0]=4 221 B18R2.117982 CCc1cccc(c1Sc2ncc(s2)C)CC 62a_100000690809_100010212195 [0,1,0,0,0,0|2,0,0]=3 222 B18R2.117982 CCc1cccc(c1Sc2ncc(s2)C)CC 62a_100010212195_100000690809 [0,1,0,0,0,0|2,0,0]=3 223 B18R2.117982 CCc1cccc(c1Sc2ncn(n2)C)CC 62a_100009819955_100010212195 [0,1,0,0,0,0|2,0,1]=4 224 B18R2.117982 CCc1cccc(c1Sc2ncn(n2)C)CC 62a_100010212195_100009819955 [0,1,0,0,0,0|2,0,1]=4 225 B18R2.117982 CCc1cccc(c1Sc2nnc(o2)C)CC 62a_100010212195_100000708914 [0,1,0,0,0,0|3,0,0]=4 226 B18R2.117982 CCc1cccc(c1Sc2nnc(s2)C)CC 62a_100000686958_100010212195 [0,1,0,0,0,0|3,0,0]=4 227 B18R2.117982 CCc1cccc(c1Sc2nnc(s2)C)CC 62a_100010212195_100000686958 [0,1,0,0,0,0|3,0,0]=4 228 B18R2.117982 CCc1cccc(c1Sc2nnc(s2)N)CC 62a_100000738278_100010212195 [0,1,0,0,0,0|3,0,0]=4 229 B18R2.117982 CCc1cccc(c1Sc2nnc(s2)N)CC 62a_100010212195_100000738278 [0,1,0,0,0,0|3,0,0]=4 230 B18R2.117982 CCc1cccc(c1Sc2noc(n2)C)CC 62a_100010212195_100012003639 [0,1,0,0,0,0|2,0,1]=4 231 B18R2.117982 CCc1cccc(c1Sc2noc(n2)C)CC 62a_100012003639_100010212195 [0,1,0,0,0,0|2,0,1]=4 232 B18R2.117982 COc1cccc(c1Sc2nc(c[nH]2)C)CO 62a_100010236476_100161115468 [0,1,0,0,0,0|3,0,0]=4 233 B18R2.117982 COc1cccc(c1Sc2nc(c[nH]2)C)CO 62a_100161115468_100010236476 [0,1,0,0,0,0|3,0,0]=4 234 B18R2.117982 COc1cccc(c1Sc2nc(c[nH]2)C)OC 62a_100000690108_100161115468 [0,1,0,0,0,0|3,0,0]=4 235 B18R2.117982 COc1cccc(c1Sc2nc(c[nH]2)C)OC 62a_100161115468_100000690108 [0,1,0,0,0,0|3,0,0]=4 236 B18R2.117986 CCc1cccc(c1Nc2ncnn2C)CC 27a_100000211307_100000732653 [0,1,0,0,0,0|2,0,0]=3 237 B18R2.117986 CCc1cccc(c1Sc2[nH]cnc2Cl)CC 62a_100010200774_100010212195 [0,1,0,0,0,0|3,0,0]=4 238 B18R2.117986 CCc1cccc(c1Sc2[nH]cnc2Cl)CC 62a_100010212195_100010200774 [0,1,0,0,0,0|3,0,0]=4 239 B18R2.117986 CCc1cccc(c1Sc2ccnn2C)CC 62a_100000688441_100010212195 [0,1,0,0,0,0|3,0,0]=4 240 B18R2.117986 CCc1cccc(c1Sc2ccnn2C)CC 62a_100010212195_100000688441 [0,1,0,0,0,0|3,0,0]=4 241 B18R2.117986 CCc1cccc(c1Sc2cncn2C)CC 62a_100009814087_100010212195 [0,1,0,0,0,0|3,0,0]=4 242 B18R2.117986 CCc1cccc(c1Sc2cncn2C)CC 62a_100010212195_100009814087 [0,1,0,0,0,0|3,0,0]=4 243 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2Br)CC 62a_100010212195_100015839836 [0,1,0,0,0,0|3,0,0]=4 244 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2Br)CC 62a_100015839836_100010212195 [0,1,0,0,0,0|3,0,0]=4 245 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2C)CC 62a_100009871783_100010212195 [0,1,0,0,0,0|3,0,0]=4 246 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2C)CC 62a_100010212195_100009871783 [0,1,0,0,0,0|3,0,0]=4 247 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2N)CC 62a_100010212195_100010894806 [0,1,0,0,0,0|3,0,0]=4 248 B18R2.117986 CCc1cccc(c1Sc2n[nH]cc2N)CC 62a_100010894806_100010212195 [0,1,0,0,0,0|3,0,0]=4 249 B18R2.117986 CCc1cccc(c1Sc2nc[nH]c2C)CC 62a_100010186451_100010212195 [0,1,0,0,0,0|3,0,0]=4 250 B18R2.117986 CCc1cccc(c1Sc2nc[nH]c2C)CC 62a_100010212195_100010186451 [0,1,0,0,0,0|3,0,0]=4 251 B18R2.117986 CCc1cccc(c1Sc2nccn2C)CC 62a_100000707724_100010212195 [0,1,0,0,0,0|1,0,0]=2 252 B18R2.117986 CCc1cccc(c1Sc2nccn2C)CC 62a_100010212195_100000707724 [0,1,0,0,0,0|1,0,0]=2 253 B18R2.117986 CCc1cccc(c1Sc2ncnn2C)CC 62a_100000732653_100010212195 [0,1,0,0,0,0|2,0,0]=3 254 B18R2.117986 CCc1cccc(c1Sc2ncnn2C)CC 62a_100010212195_100000732653 [0,1,0,0,0,0|2,0,0]=3 255 B18R2.117986 CCc1cccc(c1Sc2ncsc2C)CC 62a_100000732656_100010212195 [0,1,0,0,0,0|3,0,0]=4 256 B18R2.117986 CCc1cccc(c1Sc2ncsc2C)CC 62a_100010212195_100000732656 [0,1,0,0,0,0|3,0,0]=4 257 B18R2.117986 CCc1cccc(c1Sc2sccc2Br)CC 62a_100010212195_100012361411 [0,1,0,0,0,0|3,0,0]=4 258 B18R2.117986 CCc1cccc(c1Sc2sccc2Br)CC 62a_100012361411_100010212195 [0,1,0,0,0,0|3,0,0]=4 259 B18R2.117986 CCc1cccc(c1Sc2sccc2C)CC 62a_100010212195_100010247149 [0,1,0,0,0,0|3,0,0]=4 260 B18R2.117986 CCc1cccc(c1Sc2sccc2C)CC 62a_100010247149_100010212195 [0,1,0,0,0,0|3,0,0]=4 261 B18R2.117986 COc1cccc(c1Sc2nccn2C)CO 62a_100000707724_100010236476 [0,1,0,0,0,0|3,0,0]=4 262 B18R2.117986 COc1cccc(c1Sc2nccn2C)CO 62a_100010236476_100000707724 [0,1,0,0,0,0|3,0,0]=4 263 B18R2.117986 COc1cccc(c1Sc2nccn2C)OC 62a_100000690108_100000707724 [0,1,0,0,0,0|3,0,0]=4 264 B18R2.117986 COc1cccc(c1Sc2nccn2C)OC 62a_100000707724_100000690108 [0,1,0,0,0,0|3,0,0]=4 265 B16R1.2234 C=CCC(=O)Nc1c(cccc1CC)CC 11a_100000211307_100000210193 [0,0,1,0,0,0|3,0,0]=4 266 B16R1.2234 C=CCC(=O)Nc1c(cccc1CC)CC 1626a_100000211307_100000210193 [0,0,1,0,0,0|3,0,0]=4 267 B16R2.37063 CCc1cccc(c1c2cc[nH]c2)CC 271570a_100000102155_100010212195 [0,0,0,0,1,0|3,0,0]=4 268 B16R2.37063 CCc1cccc(c1c2cc[nH]n2)CC 271570a_100000062414_100010212195 [0,0,0,0,1,0|2,0,0]=3 269 B16R2.37063 CCc1cccc(c1c2ccco2)CC 271570a_100000750936_100010212195 [0,0,0,0,1,0|2,0,0]=3 270 B16R2.37063 CCc1cccc(c1c2cccs2)CC 271570a_100000742291_100010212195 [0,0,0,0,1,0|2,0,0]=3 271 B16R2.37063 CCc1cccc(c1c2ccoc2)CC 271570a_100011218838_100010212195 [0,0,0,0,1,0|3,0,0]=4 272 B16R2.37063 CCc1cccc(c1c2ccsc2)CC 271570a_100011934443_100010212195 [0,0,0,0,1,0|3,0,0]=4 273 B16R2.37063 CCc1cccc(c1c2cncs2)CC 271570a_100010231675_100010212195 [0,0,0,0,1,0|3,0,0]=4 274 B16R2.37063 CCc1cccc(c1c2ncc[nH]2)CC 271570a_100016988920_100010212195 [0,0,0,0,1,0|0,0,0]=1 275 B16R2.37063 COc1cccc(c1c2ncc[nH]2)CO 271570a_100016988920_100010236476 [0,0,0,0,1,0|2,0,0]=3 276 B16R2.37063 COc1cccc(c1c2ncc[nH]2)OC 271570a_100000694107_100025796157 [0,0,0,0,1,0|2,0,0]=3 277 B16R2.37063 COc1cccc(c1c2ncc[nH]2)OC 271570a_100016988920_100000050062 [0,0,0,0,1,0|2,0,0]=3 278 B16R2.37063 COc1cccc(c1c2ncco2)OC 271570a_100000694107_100011787736 [0,0,0,0,1,0|3,0,0]=4 279 B16R2.37063 COc1cccc(c1c2nccs2)OC 271570a_100000694107_100000211983 [0,0,0,0,1,0|3,0,0]=4 280 B16R2.37063 COc1ccnc(c1c2ncc[nH]2)OC 271570a_100010082524_100025796157 [0,0,0,0,1,0|3,0,0]=4 281 B16R2.37063 COc1ccnc(c1c2ncc[nH]2)OC 271570a_100016988920_100010114374 [0,0,0,0,1,0|3,0,0]=4 282 B16R2.37063 COc1cncc(c1c2ncc[nH]2)OC 271570a_100016988920_200010191558 [0,0,0,0,1,0|3,0,0]=4 283 B18R2.106078 CCc1cccc(c1Nc2cccnn2)CC 27a_100000211307_100016991348 [0,0,0,0,0,1|2,0,0]=3 284 B18R2.106078 CCc1cccc(c1Nc2ccncn2)CC 27a_100000211307_100000703185 [0,0,0,0,0,1|2,0,0]=3 285 B18R2.106078 CCc1cccc(c1Nc2cnccn2)CC 27a_100000211307_100000211759 [0,0,0,0,0,1|1,0,1]=3 286 B18R2.106078 CCc1cccc(c1Nc2ncccn2)CC 27a_100000211307_100000211032 [0,0,0,0,0,1|1,0,1]=3 287 B18R2.106078 CCc1cccc(c1Sc2ccccc2)CC 62a_100000719477_100010212195 [0,0,0,0,0,1|3,0,0]=4 288 B18R2.106078 CCc1cccc(c1Sc2ccccc2)CC 62a_100010212195_100000041952 [0,0,0,0,0,1|3,0,0]=4 289 B18R2.106078 CCc1cccc(c1Sc2ccccn2)CC 62a_100010212195_100011216584 [0,0,0,0,0,1|2,0,0]=3 290 B18R2.106078 CCc1cccc(c1Sc2ccccn2)CC 62a_100011216584_100010212195 [0,0,0,0,0,1|2,0,0]=3 291 B18R2.106078 CCc1cccc(c1Sc2cccnc2)CC 62a_100000210063_100010212195 [0,0,0,0,0,1|2,0,0]=3 292 B18R2.106078 CCc1cccc(c1Sc2cccnc2)CC 62a_100010212195_100000210063 [0,0,0,0,0,1|2,0,0]=3 293 B18R2.106078 CCc1cccc(c1Sc2cccnn2)CC 62a_100010212195_100016991348 [0,0,0,0,0,1|2,0,0]=3 294 B18R2.106078 CCc1cccc(c1Sc2cccnn2)CC 62a_100016991348_100010212195 [0,0,0,0,0,1|2,0,0]=3 295 B18R2.106078 CCc1cccc(c1Sc2ccncc2)CC 62a_100000728582_100010212195 [0,0,0,0,0,1|3,0,0]=4 296 B18R2.106078 CCc1cccc(c1Sc2ccncc2)CC 62a_100010212195_100000728582 [0,0,0,0,0,1|3,0,0]=4 297 B18R2.106078 CCc1cccc(c1Sc2ccncn2)CC 62a_100000703185_100010212195 [0,0,0,0,0,1|2,0,0]=3 298 B18R2.106078 CCc1cccc(c1Sc2ccncn2)CC 62a_100010212195_100000703185 [0,0,0,0,0,1|2,0,0]=3 299 B18R2.106078 CCc1cccc(c1Sc2ccnnc2)CC 62a_100000732662_100010212195 [0,0,0,0,0,1|3,0,0]=4 300 B18R2.106078 CCc1cccc(c1Sc2ccnnc2)CC 62a_100010212195_100000732662 [0,0,0,0,0,1|3,0,0]=4 301 B18R2.106078 CCc1cccc(c1Sc2cnccn2)CC 62a_100000211759_100010212195 [0,0,0,0,0,1|1,0,1]=3 302 B18R2.106078 CCc1cccc(c1Sc2cnccn2)CC 62a_100010212195_100000211759 [0,0,0,0,0,1|1,0,1]=3 303 B18R2.106078 CCc1cccc(c1Sc2cncnc2)CC 62a_100010212195_100011206942 [0,0,0,0,0,1|3,0,0]=4 304 B18R2.106078 CCc1cccc(c1Sc2cncnc2)CC 62a_100011206942_100010212195 [0,0,0,0,0,1|3,0,0]=4 305 B18R2.106078 CCc1cccc(c1Sc2ncccn2)CC 62a_100000211032_100010212195 [0,0,0,0,0,1|1,0,1]=3 306 B18R2.106078 CCc1cccc(c1Sc2ncccn2)CC 62a_100010212195_100000211032 [0,0,0,0,0,1|1,0,1]=3 307 B18R2.117941 CCc1cccc(c1NCC2=NCCN2)CC 34a_100000211307_100000737910 [0,0,0,0,0,1|0,0,2]=3 308 B18R2.117941 CCc1cccc(c1NCC2=NCCN2)CC 7a_100000211307_100000737910 [0,0,0,0,0,1|0,0,2]=3 309 B18R2.117941 CCc1cccc(c1NCc2c[nH]cn2)CC 2230a_100000211307_100000707719 [0,0,0,0,0,1|2,0,0]=3 310 B18R2.117941 CCc1cccc(c1NCc2c[nH]cn2)CC 34a_100000211307_100000707719 [0,0,0,0,0,1|2,0,0]=3 311 B18R2.117941 CCc1cccc(c1NCc2cc[nH]n2)CC 207a_100000211307_100000738523 [0,0,0,0,0,1|2,0,0]=3 312 B18R2.117941 CCc1cccc(c1NCc2ccco2)CC 207a_100000211307_100000186105 [0,0,0,0,0,1|2,0,0]=3 313 B18R2.117941 CCc1cccc(c1NCc2ccco2)CC 270302a_100000211307_100000186105 [0,0,0,0,0,1|2,0,0]=3 314 B18R2.117941 CCc1cccc(c1NCc2cccs2)CC 207a_100000211307_100000209959 [0,0,0,0,0,1|2,0,0]=3 315 B18R2.117941 CCc1cccc(c1NCc2cccs2)CC 270302a_100000211307_100000209959 [0,0,0,0,0,1|2,0,0]=3 316 B18R2.117941 CCc1cccc(c1NCc2ccn[nH]2)CC 2230a_100000211307_100000728653 [0,0,0,0,0,1|2,0,0]=3 317 B18R2.117941 CCc1cccc(c1NCc2ccn[nH]2)CC 34a_100000211307_100000728653 [0,0,0,0,0,1|2,0,0]=3 318 B18R2.117941 CCc1cccc(c1NCc2ccn[nH]2)CC 7a_100000211307_100000728653 [0,0,0,0,0,1|2,0,0]=3 319 B18R2.117941 CCc1cccc(c1NCc2ccoc2)CC 207a_100000211307_100011215517 [0,0,0,0,0,1|3,0,0]=4 320 B18R2.117941 CCc1cccc(c1NCc2ccon2)CC 2230a_100000211307_100000234950 [0,0,0,0,0,1|2,0,0]=3 321 B18R2.117941 CCc1cccc(c1NCc2ccon2)CC 34a_100000211307_100000234950 [0,0,0,0,0,1|2,0,0]=3 322 B18R2.117941 CCc1cccc(c1NCc2ccon2)CC 7a_100000211307_100000234950 [0,0,0,0,0,1|2,0,0]=3 323 B18R2.117941 CCc1cccc(c1NCc2ccsc2)CC 207a_100000211307_100000188534 [0,0,0,0,0,1|3,0,0]=4 324 B18R2.117941 CCc1cccc(c1NCc2ccsc2)CC 2230a_100000211307_100011261437 [0,0,0,0,0,1|3,0,0]=4 325 B18R2.117941 CCc1cccc(c1NCc2ccsc2)CC 270302a_100000211307_100000188534 [0,0,0,0,0,1|3,0,0]=4 326 B18R2.117941 CCc1cccc(c1NCc2ccsc2)CC 34a_100000211307_100011261437 [0,0,0,0,0,1|3,0,0]=4 327 B18R2.117941 CCc1cccc(c1NCc2ccsc2)CC 7a_100000211307_100011261437 [0,0,0,0,0,1|3,0,0]=4 328 B18R2.117941 CCc1cccc(c1NCc2cnc[nH]2)CC 207a_100000211307_100000742939 [0,0,0,0,0,1|2,0,0]=3 329 B18R2.117941 CCc1cccc(c1NCc2cncs2)CC 207a_100000211307_100000749870 [0,0,0,0,0,1|3,0,0]=4 330 B18R2.117941 CCc1cccc(c1NCc2cncs2)CC 2230a_100000211307_100015185245 [0,0,0,0,0,1|3,0,0]=4 331 B18R2.117941 CCc1cccc(c1NCc2cncs2)CC 270302a_100000211307_100000749870 [0,0,0,0,0,1|3,0,0]=4 332 B18R2.117941 CCc1cccc(c1NCc2cncs2)CC 34a_100000211307_100015185245 [0,0,0,0,0,1|3,0,0]=4 333 B18R2.117941 CCc1cccc(c1NCc2cncs2)CC 7a_100000211307_100015185245 [0,0,0,0,0,1|3,0,0]=4 334 B18R2.117941 CCc1cccc(c1NCc2cscn2)CC 207a_100000211307_100000743575 [0,0,0,0,0,1|2,0,0]=3 335 B18R2.117941 CCc1cccc(c1NCc2cscn2)CC 2230a_100000211307_100000205941 [0,0,0,0,0,1|2,0,0]=3 336 B18R2.117941 CCc1cccc(c1NCc2cscn2)CC 270302a_100000211307_100000743575 [0,0,0,0,0,1|2,0,0]=3 337 B18R2.117941 CCc1cccc(c1NCc2cscn2)CC 34a_100000211307_100000205941 [0,0,0,0,0,1|2,0,0]=3 338 B18R2.117941 CCc1cccc(c1NCc2cscn2)CC 7a_100000211307_100000205941 [0,0,0,0,0,1|2,0,0]=3 339 B18R2.117941 CCc1cccc(c1NCc2ncc[nH]2)CC 207a_100000211307_100000743867 [0,0,0,0,0,1|0,0,0]=1 340 B18R2.117941 CCc1cccc(c1NCc2ncc[nH]2)CC 2230a_100000211307_100016991755 [0,0,0,0,0,1|0,0,0]=1 341 B18R2.117941 CCc1cccc(c1NCc2ncc[nH]2)CC 34a_100000211307_100016991755 [0,0,0,0,0,1|0,0,0]=1 342 B18R2.117941 CCc1cccc(c1NCc2ncc[nH]2)CC 7a_100000211307_100000753453 [0,0,0,0,0,1|0,0,0]=1 343 B18R2.117941 CCc1cccc(c1NCc2ncco2)CC 2230a_100000211307_103436540062 [0,0,0,0,0,1|1,0,0]=2 344 B18R2.117941 CCc1cccc(c1NCc2ncco2)CC 34a_100000211307_103436540062 [0,0,0,0,0,1|1,0,0]=2 345 B18R2.117941 CCc1cccc(c1NCc2ncco2)CC 7a_100000211307_103436540062 [0,0,0,0,0,1|1,0,0]=2 346 B18R2.117941 CCc1cccc(c1NCc2nccs2)CC 207a_100000211307_100000750902 [0,0,0,0,0,1|1,0,0]=2 347 B18R2.117941 CCc1cccc(c1NCc2nccs2)CC 2230a_100000211307_100015184050 [0,0,0,0,0,1|1,0,0]=2 348 B18R2.117941 CCc1cccc(c1NCc2nccs2)CC 270302a_100000211307_100000750902 [0,0,0,0,0,1|1,0,0]=2 349 B18R2.117941 CCc1cccc(c1NCc2nccs2)CC 34a_100000211307_100015184050 [0,0,0,0,0,1|1,0,0]=2 350 B18R2.117941 CCc1cccc(c1NCc2nccs2)CC 7a_100000211307_100015184050 [0,0,0,0,0,1|1,0,0]=2 351 B18R2.117941 CCc1cccc(c1NCc2ncon2)CC 34a_100000211307_100000233494 [0,0,0,0,0,1|1,0,1]=3 352 B18R2.117941 CCc1cccc(c1NCc2nnn[nH]2)CC 34a_100000211307_100000765167 [0,0,0,0,0,1|2,0,0]=3 353 B18R2.117941 CCc1cccc(c1NCc2nnn[nH]2)CC 7a_100000211307_100000765167 [0,0,0,0,0,1|2,0,0]=3 354 B18R2.117941 CCc1cccc(c1NCn2cncn2)CC 2230a_100000211307_200020645497 [0,0,0,0,0,1|3,0,0]=4 355 B18R2.117941 CCc1cccc(c1NCn2cncn2)CC 34a_100000211307_200020645497 [0,0,0,0,0,1|3,0,0]=4 356 B18R2.117941 CCc1cccc(c1NCn2cncn2)CC 7a_100000211307_200020645497 [0,0,0,0,0,1|3,0,0]=4 357 B18R2.117941 CCc1cccc(c1OCC2=NCCN2)CC 34a_100000078057_100000737910 [0,0,0,0,0,1|0,0,2]=3 358 B18R2.117941 CCc1cccc(c1OCC2=NCCN2)CC 7a_100000078057_100000737910 [0,0,0,0,0,1|0,0,2]=3 359 B18R2.117941 CCc1cccc(c1OCc2c[nH]cn2)CC 34a_100000078057_100000707719 [0,0,0,0,0,1|2,0,0]=3 360 B18R2.117941 CCc1cccc(c1OCc2ccn[nH]2)CC 34a_100000078057_100000728653 [0,0,0,0,0,1|2,0,0]=3 361 B18R2.117941 CCc1cccc(c1OCc2ccn[nH]2)CC 7a_100000078057_100000728653 [0,0,0,0,0,1|2,0,0]=3 362 B18R2.117941 CCc1cccc(c1OCc2ccon2)CC 34a_100000078057_100000234950 [0,0,0,0,0,1|2,0,0]=3 363 B18R2.117941 CCc1cccc(c1OCc2ccon2)CC 7a_100000078057_100000234950 [0,0,0,0,0,1|2,0,0]=3 364 B18R2.117941 CCc1cccc(c1OCc2ccsc2)CC 34a_100000078057_100011261437 [0,0,0,0,0,1|3,0,0]=4 365 B18R2.117941 CCc1cccc(c1OCc2ccsc2)CC 7a_100000078057_100011261437 [0,0,0,0,0,1|3,0,0]=4 366 B18R2.117941 CCc1cccc(c1OCc2cncs2)CC 34a_100000078057_100015185245 [0,0,0,0,0,1|3,0,0]=4 367 B18R2.117941 CCc1cccc(c1OCc2cncs2)CC 7a_100000078057_100015185245 [0,0,0,0,0,1|3,0,0]=4 368 B18R2.117941 CCc1cccc(c1OCc2cscn2)CC 34a_100000078057_100000205941 [0,0,0,0,0,1|2,0,0]=3 369 B18R2.117941 CCc1cccc(c1OCc2cscn2)CC 7a_100000078057_100000205941 [0,0,0,0,0,1|2,0,0]=3 370 B18R2.117941 CCc1cccc(c1OCc2ncc[nH]2)CC 34a_100000078057_100016991755 [0,0,0,0,0,1|0,0,0]=1 371 B18R2.117941 CCc1cccc(c1OCc2ncc[nH]2)CC 7a_100000078057_100000753453 [0,0,0,0,0,1|0,0,0]=1 372 B18R2.117941 CCc1cccc(c1OCc2ncco2)CC 34a_100000078057_103436540062 [0,0,0,0,0,1|1,0,0]=2 373 B18R2.117941 CCc1cccc(c1OCc2ncco2)CC 7a_100000078057_103436540062 [0,0,0,0,0,1|1,0,0]=2 374 B18R2.117941 CCc1cccc(c1OCc2nccs2)CC 34a_100000078057_100015184050 [0,0,0,0,0,1|1,0,0]=2 375 B18R2.117941 CCc1cccc(c1OCc2nccs2)CC 7a_100000078057_100015184050 [0,0,0,0,0,1|1,0,0]=2 376 B18R2.117941 CCc1cccc(c1OCc2ncon2)CC 34a_100000078057_100000233494 [0,0,0,0,0,1|1,0,1]=3 377 B18R2.117941 CCc1cccc(c1OCc2nnn[nH]2)CC 34a_100000078057_100000765167 [0,0,0,0,0,1|2,0,0]=3 378 B18R2.117941 CCc1cccc(c1OCc2nnn[nH]2)CC 7a_100000078057_100000765167 [0,0,0,0,0,1|2,0,0]=3 379 B18R2.117941 CCc1cccc(c1OCn2cncn2)CC 34a_100000078057_200020645497 [0,0,0,0,0,1|3,0,0]=4 380 B18R2.117941 CCc1cccc(c1OCn2cncn2)CC 7a_100000078057_200020645497 [0,0,0,0,0,1|3,0,0]=4 381 B18R2.117941 CCc1cccc(c1SCC2=NCCN2)CC 62a_100000737910_100010212195 [0,0,0,0,0,1|0,0,2]=3 382 B18R2.117941 CCc1cccc(c1SCC2=NCCN2)CC 62a_100010212195_100000737910 [0,0,0,0,0,1|0,0,2]=3 383 B18R2.117941 CCc1cccc(c1SCc2c[nH]cn2)CC 62a_100000707719_100010212195 [0,0,0,0,0,1|2,0,0]=3 384 B18R2.117941 CCc1cccc(c1SCc2c[nH]cn2)CC 62a_100010212195_100000707719 [0,0,0,0,0,1|2,0,0]=3 385 B18R2.117941 CCc1cccc(c1SCc2ccn[nH]2)CC 62a_100000728653_100010212195 [0,0,0,0,0,1|2,0,0]=3 386 B18R2.117941 CCc1cccc(c1SCc2ccn[nH]2)CC 62a_100010212195_100000728653 [0,0,0,0,0,1|2,0,0]=3 387 B18R2.117941 CCc1cccc(c1SCc2ccon2)CC 62a_100000234950_100010212195 [0,0,0,0,0,1|2,0,0]=3 388 B18R2.117941 CCc1cccc(c1SCc2ccon2)CC 62a_100010212195_100000234950 [0,0,0,0,0,1|2,0,0]=3 389 B18R2.117941 CCc1cccc(c1SCc2ccsc2)CC 62a_100010212195_100011233845 [0,0,0,0,0,1|3,0,0]=4 390 B18R2.117941 CCc1cccc(c1SCc2ccsc2)CC 62a_100011261437_100010212195 [0,0,0,0,0,1|3,0,0]=4 391 B18R2.117941 CCc1cccc(c1SCc2cncs2)CC 62a_100010212195_100015185245 [0,0,0,0,0,1|3,0,0]=4 392 B18R2.117941 CCc1cccc(c1SCc2cncs2)CC 62a_100015185245_100010212195 [0,0,0,0,0,1|3,0,0]=4 393 B18R2.117941 CCc1cccc(c1SCc2cscn2)CC 62a_100000205941_100010212195 [0,0,0,0,0,1|2,0,0]=3 394 B18R2.117941 CCc1cccc(c1SCc2cscn2)CC 62a_100010212195_100000205941 [0,0,0,0,0,1|2,0,0]=3 395 B18R2.117941 CCc1cccc(c1SCc2ncc[nH]2)CC 62a_100010212195_100016991755 [0,0,0,0,0,1|0,0,0]=1 396 B18R2.117941 CCc1cccc(c1SCc2ncc[nH]2)CC 62a_100016991755_100010212195 [0,0,0,0,0,1|0,0,0]=1 397 B18R2.117941 CCc1cccc(c1SCc2ncco2)CC 62a_100010212195_103436540062 [0,0,0,0,0,1|1,0,0]=2 398 B18R2.117941 CCc1cccc(c1SCc2ncco2)CC 62a_103436540062_100010212195 [0,0,0,0,0,1|1,0,0]=2 399 B18R2.117941 CCc1cccc(c1SCc2nccs2)CC 62a_100010212195_100015184050 [0,0,0,0,0,1|1,0,0]=2 400 B18R2.117941 CCc1cccc(c1SCc2nccs2)CC 62a_100015184050_100010212195 [0,0,0,0,0,1|1,0,0]=2 401 B18R2.117941 CCc1cccc(c1SCc2ncon2)CC 62a_100000233494_100010212195 [0,0,0,0,0,1|1,0,1]=3 402 B18R2.117941 CCc1cccc(c1SCc2ncon2)CC 62a_100010212195_100000233494 [0,0,0,0,0,1|1,0,1]=3 403 B18R2.117941 CCc1cccc(c1SCc2nnn[nH]2)CC 62a_100000765167_100010212195 [0,0,0,0,0,1|2,0,0]=3 404 B18R2.117941 CCc1cccc(c1SCc2nnn[nH]2)CC 62a_100010212195_100000765167 [0,0,0,0,0,1|2,0,0]=3 405 B18R2.117941 CCc1cccc(c1SCn2cncn2)CC 62a_100010212195_200020645497 [0,0,0,0,0,1|3,0,0]=4 406 B18R2.117941 CCc1cccc(c1SCn2cncn2)CC 62a_200020645497_100010212195 [0,0,0,0,0,1|3,0,0]=4 407 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)C#N 2230a_100000722693_100016991755 [0,0,0,0,0,1|2,0,1]=4 408 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)CO 207a_100011999522_100000743867 [0,0,0,0,0,1|2,0,0]=3 409 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)CO 34a_100011999522_100016991755 [0,0,0,0,0,1|2,0,0]=3 410 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)OC 207a_100011218430_100000743867 [0,0,0,0,0,1|2,0,0]=3 411 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)OC 2230a_100011218430_100016991755 [0,0,0,0,0,1|2,0,0]=3 412 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)OC 34a_100011218430_100016991755 [0,0,0,0,0,1|2,0,0]=3 413 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)SC 207a_200012283368_100000743867 [0,0,0,0,0,1|2,0,0]=3 414 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)SC 2230a_200012283368_100016991755 [0,0,0,0,0,1|2,0,0]=3 415 B18R2.117941 COc1cccc(c1NCc2ncc[nH]2)SC 34a_200012283368_100016991755 [0,0,0,0,0,1|2,0,0]=3 416 B18R2.117941 COc1cccc(c1NCc2ncco2)CO 34a_100011999522_103436540062 [0,0,0,0,0,1|3,0,0]=4 417 B18R2.117941 COc1cccc(c1NCc2ncco2)OC 2230a_100011218430_103436540062 [0,0,0,0,0,1|3,0,0]=4 418 B18R2.117941 COc1cccc(c1NCc2ncco2)OC 34a_100011218430_103436540062 [0,0,0,0,0,1|3,0,0]=4 419 B18R2.117941 COc1cccc(c1NCc2ncco2)SC 2230a_200012283368_103436540062 [0,0,0,0,0,1|3,0,0]=4 420 B18R2.117941 COc1cccc(c1NCc2ncco2)SC 34a_200012283368_103436540062 [0,0,0,0,0,1|3,0,0]=4 421 B18R2.117941 COc1cccc(c1NCc2nccs2)CO 207a_100011999522_100000750902 [0,0,0,0,0,1|3,0,0]=4 422 B18R2.117941 COc1cccc(c1NCc2nccs2)CO 270302a_100011999522_100000750902 [0,0,0,0,0,1|3,0,0]=4 423 B18R2.117941 COc1cccc(c1NCc2nccs2)CO 34a_100011999522_100015184050 [0,0,0,0,0,1|3,0,0]=4 424 B18R2.117941 COc1cccc(c1NCc2nccs2)OC 207a_100011218430_100000750902 [0,0,0,0,0,1|3,0,0]=4 425 B18R2.117941 COc1cccc(c1NCc2nccs2)OC 2230a_100011218430_100015184050 [0,0,0,0,0,1|3,0,0]=4 426 B18R2.117941 COc1cccc(c1NCc2nccs2)OC 270302a_100011218430_100000750902 [0,0,0,0,0,1|3,0,0]=4 427 B18R2.117941 COc1cccc(c1NCc2nccs2)OC 34a_100011218430_100015184050 [0,0,0,0,0,1|3,0,0]=4 428 B18R2.117941 COc1cccc(c1NCc2nccs2)SC 207a_200012283368_100000750902 [0,0,0,0,0,1|3,0,0]=4 429 B18R2.117941 COc1cccc(c1NCc2nccs2)SC 2230a_200012283368_100015184050 [0,0,0,0,0,1|3,0,0]=4 430 B18R2.117941 COc1cccc(c1NCc2nccs2)SC 270302a_200012283368_100000750902 [0,0,0,0,0,1|3,0,0]=4 431 B18R2.117941 COc1cccc(c1NCc2nccs2)SC 34a_200012283368_100015184050 [0,0,0,0,0,1|3,0,0]=4 432 B18R2.117941 COc1cccc(c1OCc2ncc[nH]2)C#N 34a_100011934230_100016991755 [0,0,0,0,0,1|2,0,1]=4 433 B18R2.117941 COc1cccc(c1OCc2ncc[nH]2)CO 34a_100011218668_100016991755 [0,0,0,0,0,1|2,0,0]=3 434 B18R2.117941 COc1cccc(c1OCc2ncc[nH]2)OC 34a_100000211025_100016991755 [0,0,0,0,0,1|2,0,0]=3 435 B18R2.117941 COc1cccc(c1OCc2ncco2)CO 34a_100011218668_103436540062 [0,0,0,0,0,1|3,0,0]=4 436 B18R2.117941 COc1cccc(c1OCc2ncco2)OC 34a_100000211025_103436540062 [0,0,0,0,0,1|3,0,0]=4 437 B18R2.117941 COc1cccc(c1OCc2nccs2)CO 34a_100011218668_100015184050 [0,0,0,0,0,1|3,0,0]=4 438 B18R2.117941 COc1cccc(c1OCc2nccs2)OC 34a_100000211025_100015184050 [0,0,0,0,0,1|3,0,0]=4 439 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)C=O 62a_100010209554_100016991755 [0,0,0,0,0,1|2,0,1]=4 440 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)C=O 62a_100016991755_100010209554 [0,0,0,0,0,1|2,0,1]=4 441 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)CO 62a_100010236476_100016991755 [0,0,0,0,0,1|2,0,0]=3 442 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)CO 62a_100016991755_100010236476 [0,0,0,0,0,1|2,0,0]=3 443 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)OC 62a_100000690108_100016991755 [0,0,0,0,0,1|2,0,0]=3 444 B18R2.117941 COc1cccc(c1SCc2ncc[nH]2)OC 62a_100016991755_100000690108 [0,0,0,0,0,1|2,0,0]=3 445 B18R2.117941 COc1cccc(c1SCc2ncco2)CO 62a_100010236476_103436540062 [0,0,0,0,0,1|3,0,0]=4 446 B18R2.117941 COc1cccc(c1SCc2ncco2)CO 62a_103436540062_100010236476 [0,0,0,0,0,1|3,0,0]=4 447 B18R2.117941 COc1cccc(c1SCc2ncco2)OC 62a_100000690108_103436540062 [0,0,0,0,0,1|3,0,0]=4 448 B18R2.117941 COc1cccc(c1SCc2ncco2)OC 62a_103436540062_100000690108 [0,0,0,0,0,1|3,0,0]=4 449 B18R2.117941 COc1cccc(c1SCc2nccs2)CO 62a_100010236476_100015184050 [0,0,0,0,0,1|3,0,0]=4 450 B18R2.117941 COc1cccc(c1SCc2nccs2)CO 62a_100015184050_100010236476 [0,0,0,0,0,1|3,0,0]=4 451 B18R2.117941 COc1cccc(c1SCc2nccs2)OC 62a_100000690108_100015184050 [0,0,0,0,0,1|3,0,0]=4 452 B18R2.117941 COc1cccc(c1SCc2nccs2)OC 62a_100015184050_100000690108 [0,0,0,0,0,1|3,0,0]=4 453 B18R2.117941 COc1ccnc(c1SCc2ncc[nH]2)OC 62a_100010114374_100016991755 [0,0,0,0,0,1|3,0,0]=4 454 B18R2.117941 COc1ccnc(c1SCc2ncc[nH]2)OC 62a_100016991755_100010114374 [0,0,0,0,0,1|3,0,0]=4 455 B18R2.117941 COc1cncc(c1SCc2ncc[nH]2)OC 62a_100016991755_200010191558 [0,0,0,0,0,1|3,0,0]=4 456 B18R2.117941 COc1cncc(c1SCc2ncc[nH]2)OC 62a_200010191558_100016991755 [0,0,0,0,0,1|3,0,0]=4 457 B15R1.1604 C=CC(=O)Nc1c(cccc1CC)CC 1626a_100000211307_100000185746 [1,0,1,0,0,0|2,0,0]=4 458 B15R2.123 CCc1ccccc1Sc2ncc[nH]2 62a_100011215823_100025796157 [2,0,0,0,0,0|1,0,0]=3 459 B15R2.123 CCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011215823 [2,0,0,0,0,0|1,0,0]=3 460 B15R2.123 CCc1ccccc1Sc2ncco2 62a_100011215823_100011787736 [2,0,0,0,0,0|2,0,0]=4 461 B15R2.123 CCc1ccccc1Sc2ncco2 62a_100011787736_100011215823 [2,0,0,0,0,0|2,0,0]=4 462 B15R2.123 CCc1ccccc1Sc2nccs2 62a_100000211983_100011215823 [2,0,0,0,0,0|2,0,0]=4 463 B15R2.123 CCc1ccccc1Sc2nccs2 62a_100011215823_100000211983 [2,0,0,0,0,0|2,0,0]=4 464 B15R2.123 CCc1ccncc1Sc2ncc[nH]2 62a_100009819861_100025796157 [2,0,0,0,0,0|2,0,0]=4 465 B15R2.123 CCc1ccncc1Sc2ncc[nH]2 62a_100025796157_100009819861 [2,0,0,0,0,0|2,0,0]=4 466 B15R2.123 CCc1cnccc1Sc2ncc[nH]2 62a_100025704421_100025796157 [2,0,0,0,0,0|2,0,0]=4 467 B15R2.123 CCc1cnccc1Sc2ncc[nH]2 62a_100025796157_100025704421 [2,0,0,0,0,0|2,0,0]=4 468 B15R2.123 CCc1ncccc1Sc2ncc[nH]2 62a_100009877225_100025796157 [2,0,0,0,0,0|2,0,0]=4 469 B15R2.123 CCc1ncccc1Sc2ncc[nH]2 62a_100025796157_100009877225 [2,0,0,0,0,0|2,0,0]=4 470 B15R2.123 CNc1ccccc1Sc2ncc[nH]2 62a_100020606079_100025796157 [2,0,0,0,0,0|2,0,0]=4 471 B15R2.123 CNc1ccccc1Sc2ncc[nH]2 62a_100025796157_100020606079 [2,0,0,0,0,0|2,0,0]=4 472 B15R2.123 COc1ccccc1Sc2ncc[nH]2 62a_100000210334_100025796157 [2,0,0,0,0,0|2,0,0]=4 473 B15R2.123 COc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210334 [2,0,0,0,0,0|2,0,0]=4 474 B15R2.123 CSc1ccccc1Sc2ncc[nH]2 62a_100011217816_100025796157 [2,0,0,0,0,0|2,0,0]=4 475 B15R2.123 CSc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011217816 [2,0,0,0,0,0|2,0,0]=4 476 B15R2.123 NCc1ccccc1Sc2ncc[nH]2 62a_100000689332_100025796157 [2,0,0,0,0,0|2,0,0]=4 477 B15R2.123 NCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000689332 [2,0,0,0,0,0|2,0,0]=4 478 B15R2.123 OCc1ccccc1Sc2ncc[nH]2 62a_100000187465_100025796157 [2,0,0,0,0,0|2,0,0]=4 479 B15R2.123 OCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000187465 [2,0,0,0,0,0|2,0,0]=4 480 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100010141302_100025796157 [2,0,0,0,0,0|2,0,0]=4 481 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010141302 [2,0,0,0,0,0|2,0,0]=4 482 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100000033847_100025796157 [2,0,0,0,0,0|1,0,0]=3 483 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000033847 [2,0,0,0,0,0|1,0,0]=3 484 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000043165_100025796157 [2,0,0,0,0,0|2,0,0]=4 485 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000043165 [2,0,0,0,0,0|2,0,0]=4 486 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100011218421_100025796157 [2,0,0,0,0,0|2,0,0]=4 487 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100011218421 [2,0,0,0,0,0|2,0,0]=4 488 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100000684715_100025796157 [2,0,0,0,0,0|2,0,0]=4 489 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100000684715 [2,0,0,0,0,0|2,0,0]=4 490 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100000686692_100025796157 [2,0,0,0,0,0|2,0,0]=4 491 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100000686692 [2,0,0,0,0,0|2,0,0]=4 492 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100000033847_100011787736 [2,0,0,0,0,0|2,0,0]=4 493 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100011787736_100000033847 [2,0,0,0,0,0|2,0,0]=4 494 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000033847_100000211983 [2,0,0,0,0,0|2,0,0]=4 495 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000211983_100000033847 [2,0,0,0,0,0|2,0,0]=4 496 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100012000501_100025796157 [2,0,0,0,0,0|2,0,0]=4 497 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100025796157_100012000501 [2,0,0,0,0,0|2,0,0]=4 498 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100009817138_100025796157 [2,0,0,0,0,0|2,0,0]=4 499 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100025796157_100009817138 [2,0,0,0,0,0|2,0,0]=4 500 B17R1.169247 C=CCNC(=O)Nc1c(cccc1CC)CC 2430a_100000211307_100020586998 [0,1,1,0,0,0|2,0,0]=4 501 B17R1.169247 C=CCNC(=O)Nc1c(cccc1CC)CC 512a_100000211307_100020586998 [0,1,1,0,0,0|2,0,0]=4 502 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_100010365568_100025796157 [1,1,0,0,0,0|2,0,0]=4 503 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_100025796157_100010365568 [1,1,0,0,0,0|2,0,0]=4 504 B17R2.34169 Cc1cccc(c1Sc2ncc[nH]2)CC#N 62a_100010147024_100025796157 [1,1,0,0,0,0|1,0,1]=4 505 B17R2.34169 Cc1cccc(c1Sc2ncc[nH]2)CC#N 62a_100025796157_100010147024 [1,1,0,0,0,0|1,0,1]=4 506 B17R2.71187 CCc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100000036235_100161115468 [1,1,0,0,0,0|1,0,0]=3 507 B17R2.71187 CCc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100161115468_100000036235 [1,1,0,0,0,0|1,0,0]=3 508 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)Br)C 62a_100000036235_200016082925 [1,1,0,0,0,0|2,0,0]=4 509 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)Br)C 62a_200016082925_100000036235 [1,1,0,0,0,0|2,0,0]=4 510 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)C)C 62a_100000036235_100011291629 [1,1,0,0,0,0|2,0,0]=4 511 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)C)C 62a_100011291629_100000036235 [1,1,0,0,0,0|2,0,0]=4 512 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)N)C 62a_100000036235_200015188442 [1,1,0,0,0,0|2,0,0]=4 513 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)N)C 62a_200015188442_100000036235 [1,1,0,0,0,0|2,0,0]=4 514 B17R2.71187 CCc1cccc(c1Sc2ncc(s2)C)C 62a_100000036235_100000690809 [1,1,0,0,0,0|2,0,0]=4 515 B17R2.71187 CCc1cccc(c1Sc2ncc(s2)C)C 62a_100000690809_100000036235 [1,1,0,0,0,0|2,0,0]=4 516 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100010191535_100161115468 [1,1,0,0,0,0|2,0,0]=4 517 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100161115468_100010191535 [1,1,0,0,0,0|2,0,0]=4 518 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)C 62a_100011659289_100161115468 [1,1,0,0,0,0|2,0,0]=4 519 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)C 62a_100161115468_100011659289 [1,1,0,0,0,0|2,0,0]=4 520 B17R2.71188 CCc1cccc(c1Nc2ncnn2C)C 27a_100000210048_100000732653 [1,1,0,0,0,0|2,0,0]=4 521 B17R2.71188 CCc1cccc(c1Sc2nccn2C)C 62a_100000036235_100000707724 [1,1,0,0,0,0|1,0,0]=3 522 B17R2.71188 CCc1cccc(c1Sc2nccn2C)C 62a_100000707724_100000036235 [1,1,0,0,0,0|1,0,0]=3 523 B17R2.71188 CCc1cccc(c1Sc2ncnn2C)C 62a_100000036235_100000732653 [1,1,0,0,0,0|2,0,0]=4 524 B17R2.71188 CCc1cccc(c1Sc2ncnn2C)C 62a_100000732653_100000036235 [1,1,0,0,0,0|2,0,0]=4 525 B17R2.71188 COc1cccc(c1Sc2nccn2C)C 62a_100000707724_100010191535 [1,1,0,0,0,0|2,0,0]=4 526 B17R2.71188 COc1cccc(c1Sc2nccn2C)C 62a_100010191535_100000707724 [1,1,0,0,0,0|2,0,0]=4 527 B17R2.71188 Cc1cccc(c1Sc2nccn2C)CO 62a_100000707724_100011659289 [1,1,0,0,0,0|2,0,0]=4 528 B17R2.71188 Cc1cccc(c1Sc2nccn2C)CO 62a_100011659289_100000707724 [1,1,0,0,0,0|2,0,0]=4 529 B17R2.5391 CCc1cc(cc(c1c2c[nH]cn2)CC)C 271570a_200010870704_100000756875 [0,1,0,0,1,0|2,0,0]=4 530 B17R2.5391 CCc1cc(cc(c1c2cc[nH]n2)CC)Br 271570a_100000062414_100010205833 [0,1,0,0,1,0|2,0,0]=4 531 B17R2.5391 CCc1cc(cc(c1c2cc[nH]n2)CC)C 271570a_100000062414_100010203090 [0,1,0,0,1,0|2,0,0]=4 532 B17R2.5391 CCc1cc(cc(c1c2cc[nH]n2)CC)C 271570a_200010870704_100000062575 [0,1,0,0,1,0|2,0,0]=4 533 B17R2.5391 CCc1cc(cc(c1c2ccco2)CC)Br 271570a_100000750936_100010205833 [0,1,0,0,1,0|2,0,0]=4 534 B17R2.5391 CCc1cc(cc(c1c2ccco2)CC)C 271570a_100000750936_100010203090 [0,1,0,0,1,0|2,0,0]=4 535 B17R2.5391 CCc1cc(cc(c1c2ccco2)CC)C 271570a_200010870704_100009814098 [0,1,0,0,1,0|2,0,0]=4 536 B17R2.5391 CCc1cc(cc(c1c2cccs2)CC)Br 271570a_100000742291_100010205833 [0,1,0,0,1,0|2,0,0]=4 537 B17R2.5391 CCc1cc(cc(c1c2cccs2)CC)C 271570a_100000742291_100010203090 [0,1,0,0,1,0|2,0,0]=4 538 B17R2.5391 CCc1cc(cc(c1c2cccs2)CC)C 271570a_200010870704_100011215356 [0,1,0,0,1,0|2,0,0]=4 539 B17R2.5391 CCc1cc(cc(c1c2ccsn2)CC)C 271570a_200010870704_100009818082 [0,1,0,0,1,0|2,0,0]=4 540 B17R2.5391 CCc1cc(cc(c1c2cscn2)CC)C 271570a_200010870704_100000751502 [0,1,0,0,1,0|2,0,0]=4 541 B17R2.5391 CCc1cc(cc(c1c2nc[nH]n2)CC)C 271570a_200010870704_100000761765 [0,1,0,0,1,0|1,0,1]=4 542 B17R2.5391 CCc1cc(cc(c1c2ncc[nH]2)CC)Br 271570a_100016988920_100010205833 [0,1,0,0,1,0|0,0,0]=2 543 B17R2.5391 CCc1cc(cc(c1c2ncc[nH]2)CC)C 271570a_100016988920_100010203090 [0,1,0,0,1,0|0,0,0]=2 544 B17R2.5391 CCc1cc(cc(c1c2ncc[nH]2)CC)C 271570a_200010870704_100025796157 [0,1,0,0,1,0|0,0,0]=2 545 B17R2.5391 CCc1cc(cc(c1c2ncco2)CC)C 271570a_200010870704_100011787736 [0,1,0,0,1,0|1,0,0]=3 546 B17R2.5391 CCc1cc(cc(c1c2nccs2)CC)C 271570a_200010870704_100000211983 [0,1,0,0,1,0|1,0,0]=3 547 B17R2.5391 CCc1cc(cc(c1c2ncns2)CC)C 271570a_200010870704_100000693119 [0,1,0,0,1,0|2,0,0]=4 548 B17R2.5391 CCc1cc(cc(c1c2nncs2)CC)C 271570a_200010870704_100000739804 [0,1,0,0,1,0|2,0,0]=4 549 B17R2.5391 COc1cc(cc(c1c2ncc[nH]2)OC)C 271570a_100000117833_100025796157 [0,1,0,0,1,0|2,0,0]=4 550 B17R2.12318 COc1ccc(c(c1c2ncc[nH]2)CO)F 271570a_100016988920_200010942130 [0,1,0,0,1,0|2,0,0]=4 551 B17R2.12318 COc1ccc(c(c1c2ncc[nH]2)SC)F 271570a_100016988920_200021624531 [0,1,0,0,1,0|2,0,0]=4 552 B17R2.63785 CCc1cccc(c1c2cccn2C)CC 271570a_100000068268_100010212195 [0,1,0,0,1,0|1,0,0]=3 553 B17R2.63785 CCc1cccc(c1c2ccnn2C)CC 271570a_100000707534_100010212195 [0,1,0,0,1,0|2,0,0]=4 554 B17R2.63785 CCc1cccc(c1c2cncn2C)CC 271570a_100009892668_100010212195 [0,1,0,0,1,0|2,0,0]=4 555 B17R2.63785 CCc1cccc(c1c2n[nH]cc2C)CC 271570a_100102527747_100010212195 [0,1,0,0,1,0|2,0,0]=4 556 B17R2.63785 CCc1cccc(c1c2sccc2C)CC 271570a_100000734444_100010212195 [0,1,0,0,1,0|2,0,0]=4 557 B17R2.63785 COc1cccc(c1c2nccn2C)OC 271570a_100000694107_100000707724 [0,1,0,0,1,0|2,0,0]=4 558 B17R2.71374 CCc1cccc(c1c2cc([nH]n2)C)CC 271570a_100009872134_100010212195 [0,1,0,0,1,0|2,0,0]=4 559 B17R2.71374 CCc1cccc(c1c2cc(cs2)C)CC 271570a_100000038307_100010212195 [0,1,0,0,1,0|2,0,0]=4 560 B17R2.71374 CCc1cccc(c1c2ccc(o2)C)CC 271570a_100000061910_100010212195 [0,1,0,0,1,0|2,0,0]=4 561 B17R2.71374 CCc1cccc(c1c2ccc(s2)C)CC 271570a_100011934456_100010212195 [0,1,0,0,1,0|2,0,0]=4 562 B17R2.71374 CCc1cccc(c1c2ccc(s2)Cl)CC 271570a_100000708867_100010212195 [0,1,0,0,1,0|2,0,0]=4 563 B17R2.71374 CCc1cccc(c1c2ccn(n2)C)CC 271570a_100012348833_100010212195 [0,1,0,0,1,0|2,0,0]=4 564 B17R2.71374 COc1cccc(c1c2nc(c[nH]2)C)OC 271570a_100000694107_100161115468 [0,1,0,0,1,0|2,0,0]=4 565 B19R2.7800 CCc1cc(cc(c1Nc2cccnn2)CC)Br 27a_100011216614_100016991348 [0,1,0,0,0,1|2,0,0]=4 566 B19R2.7800 CCc1cc(cc(c1Nc2cccnn2)CC)C 27a_100000061337_100016991348 [0,1,0,0,0,1|2,0,0]=4 567 B19R2.7800 CCc1cc(cc(c1Nc2ccncn2)CC)Br 27a_100011216614_100000703185 [0,1,0,0,0,1|2,0,0]=4 568 B19R2.7800 CCc1cc(cc(c1Nc2ccncn2)CC)C 27a_100000061337_100000703185 [0,1,0,0,0,1|2,0,0]=4 569 B19R2.7800 CCc1cc(cc(c1Nc2cnccn2)CC)Br 27a_100011216614_100000211759 [0,1,0,0,0,1|1,0,1]=4 570 B19R2.7800 CCc1cc(cc(c1Nc2cnccn2)CC)C 27a_100000061337_100000211759 [0,1,0,0,0,1|1,0,1]=4 571 B19R2.7800 CCc1cc(cc(c1Nc2ncccn2)CC)Br 27a_100011216614_100000211032 [0,1,0,0,0,1|1,0,1]=4 572 B19R2.7800 CCc1cc(cc(c1Nc2ncccn2)CC)C 27a_100000061337_100000211032 [0,1,0,0,0,1|1,0,1]=4 573 B19R2.7800 CCc1cc(cc(c1Sc2ccccn2)CC)Br 62a_100010205833_100011216584 [0,1,0,0,0,1|2,0,0]=4 574 B19R2.7800 CCc1cc(cc(c1Sc2ccccn2)CC)Br 62a_100011216584_100010205833 [0,1,0,0,0,1|2,0,0]=4 575 B19R2.7800 CCc1cc(cc(c1Sc2ccccn2)CC)C 62a_100010203090_100011216584 [0,1,0,0,0,1|2,0,0]=4 576 B19R2.7800 CCc1cc(cc(c1Sc2ccccn2)CC)C 62a_100011216584_100010203090 [0,1,0,0,0,1|2,0,0]=4 577 B19R2.7800 CCc1cc(cc(c1Sc2cccnc2)CC)Br 62a_100000210063_100010205833 [0,1,0,0,0,1|2,0,0]=4 578 B19R2.7800 CCc1cc(cc(c1Sc2cccnc2)CC)Br 62a_100010205833_100000210063 [0,1,0,0,0,1|2,0,0]=4 579 B19R2.7800 CCc1cc(cc(c1Sc2cccnc2)CC)C 62a_100000210063_100010203090 [0,1,0,0,0,1|2,0,0]=4 580 B19R2.7800 CCc1cc(cc(c1Sc2cccnc2)CC)C 62a_100010203090_100000210063 [0,1,0,0,0,1|2,0,0]=4 581 B19R2.7800 CCc1cc(cc(c1Sc2cccnn2)CC)Br 62a_100010205833_100016991348 [0,1,0,0,0,1|2,0,0]=4 582 B19R2.7800 CCc1cc(cc(c1Sc2cccnn2)CC)Br 62a_100016991348_100010205833 [0,1,0,0,0,1|2,0,0]=4 583 B19R2.7800 CCc1cc(cc(c1Sc2cccnn2)CC)C 62a_100010203090_100016991348 [0,1,0,0,0,1|2,0,0]=4 584 B19R2.7800 CCc1cc(cc(c1Sc2cccnn2)CC)C 62a_100016991348_100010203090 [0,1,0,0,0,1|2,0,0]=4 585 B19R2.7800 CCc1cc(cc(c1Sc2ccncn2)CC)Br 62a_100000703185_100010205833 [0,1,0,0,0,1|2,0,0]=4 586 B19R2.7800 CCc1cc(cc(c1Sc2ccncn2)CC)Br 62a_100010205833_100000703185 [0,1,0,0,0,1|2,0,0]=4 587 B19R2.7800 CCc1cc(cc(c1Sc2ccncn2)CC)C 62a_100000703185_100010203090 [0,1,0,0,0,1|2,0,0]=4 588 B19R2.7800 CCc1cc(cc(c1Sc2ccncn2)CC)C 62a_100010203090_100000703185 [0,1,0,0,0,1|2,0,0]=4 589 B19R2.7800 CCc1cc(cc(c1Sc2cnccn2)CC)Br 62a_100000211759_100010205833 [0,1,0,0,0,1|1,0,1]=4 590 B19R2.7800 CCc1cc(cc(c1Sc2cnccn2)CC)Br 62a_100010205833_100000211759 [0,1,0,0,0,1|1,0,1]=4 591 B19R2.7800 CCc1cc(cc(c1Sc2cnccn2)CC)C 62a_100000211759_100010203090 [0,1,0,0,0,1|1,0,1]=4 592 B19R2.7800 CCc1cc(cc(c1Sc2cnccn2)CC)C 62a_100010203090_100000211759 [0,1,0,0,0,1|1,0,1]=4 593 B19R2.7800 CCc1cc(cc(c1Sc2ncccn2)CC)Br 62a_100000211032_100010205833 [0,1,0,0,0,1|1,0,1]=4 594 B19R2.7800 CCc1cc(cc(c1Sc2ncccn2)CC)Br 62a_100010205833_100000211032 [0,1,0,0,0,1|1,0,1]=4 595 B19R2.7800 CCc1cc(cc(c1Sc2ncccn2)CC)C 62a_100000211032_100010203090 [0,1,0,0,0,1|1,0,1]=4 596 B19R2.7800 CCc1cc(cc(c1Sc2ncccn2)CC)C 62a_100010203090_100000211032 [0,1,0,0,0,1|1,0,1]=4 597 B19R2.28452 CCc1ccc(c(c1Nc2cccnn2)CC)Cl 27a_100000211528_100016991348 [0,1,0,0,0,1|2,0,0]=4 598 B19R2.28452 CCc1ccc(c(c1Nc2ccncn2)CC)Cl 27a_100000211528_100000703185 [0,1,0,0,0,1|2,0,0]=4 599 B19R2.28452 CCc1ccc(c(c1Nc2cnccn2)CC)Cl 27a_100000211528_100000211759 [0,1,0,0,0,1|1,0,1]=4 600 B19R2.28452 CCc1ccc(c(c1Nc2ncccn2)CC)Cl 27a_100000211528_100000211032 [0,1,0,0,0,1|1,0,1]=4 601 B19R2.172186 CCc1cccc(c1Nc2ncccc2Br)CC 27a_100000211307_100000696092 [0,1,0,0,0,1|2,0,0]=4 602 B19R2.172186 CCc1cccc(c1Nc2nccnc2C)CC 27a_100000211307_100011999405 [0,1,0,0,0,1|1,0,1]=4 603 B19R2.172186 CCc1cccc(c1Nc2nccnc2F)CC 27a_100000211307_200010125657 [0,1,0,0,0,1|1,0,1]=4 604 B19R2.172186 CCc1cccc(c1Nc2ncncc2C)CC 27a_100000211307_100011998708 [0,1,0,0,0,1|2,0,0]=4 605 B19R2.172186 CCc1cccc(c1Nc2ncncc2F)CC 27a_100000211307_100000069762 [0,1,0,0,0,1|2,0,0]=4 606 B19R2.172186 CCc1cccc(c1Nc2ncncc2N)CC 27a_100000211307_100000709731 [0,1,0,0,0,1|2,0,0]=4 607 B19R2.172186 CCc1cccc(c1Nc2nnccc2C)CC 27a_100000211307_100000089043 [0,1,0,0,0,1|2,0,0]=4 608 B19R2.172186 CCc1cccc(c1Sc2c[nH]ccc2=O)CC 62a_100009998708_100010212195 [0,1,0,0,0,1|2,0,0]=4 609 B19R2.172186 CCc1cccc(c1Sc2c[nH]ccc2=O)CC 62a_100010212195_100009998708 [0,1,0,0,0,1|2,0,0]=4 610 B19R2.172186 CCc1cccc(c1Sc2c[nH]ccc2=S)CC 62a_100010212195_200012280681 [0,1,0,0,0,1|2,0,0]=4 611 B19R2.172186 CCc1cccc(c1Sc2c[nH]ccc2=S)CC 62a_200012280681_100010212195 [0,1,0,0,0,1|2,0,0]=4 612 B19R2.172186 CCc1cccc(c1Sc2cccnc2Br)CC 62a_100010202626_100010212195 [0,1,0,0,0,1|2,0,0]=4 613 B19R2.172186 CCc1cccc(c1Sc2cccnc2Br)CC 62a_100010212195_100010202626 [0,1,0,0,0,1|2,0,0]=4 614 B19R2.172186 CCc1cccc(c1Sc2cccnc2C)CC 62a_100000751574_100010212195 [0,1,0,0,0,1|2,0,0]=4 615 B19R2.172186 CCc1cccc(c1Sc2cccnc2C)CC 62a_100010212195_100000751574 [0,1,0,0,0,1|2,0,0]=4 616 B19R2.172186 CCc1cccc(c1Sc2cccnc2Cl)CC 62a_100000036424_100010212195 [0,1,0,0,0,1|2,0,0]=4 617 B19R2.172186 CCc1cccc(c1Sc2cccnc2Cl)CC 62a_100010212195_100000036424 [0,1,0,0,0,1|2,0,0]=4 618 B19R2.172186 CCc1cccc(c1Sc2cccnc2F)CC 62a_100009816115_100010212195 [0,1,0,0,0,1|2,0,0]=4 619 B19R2.172186 CCc1cccc(c1Sc2cccnc2F)CC 62a_100010212195_100009816115 [0,1,0,0,0,1|2,0,0]=4 620 B19R2.172186 CCc1cccc(c1Sc2cccnc2N)CC 62a_100000045569_100010212195 [0,1,0,0,0,1|2,0,0]=4 621 B19R2.172186 CCc1cccc(c1Sc2cccnc2N)CC 62a_100010212195_100000045569 [0,1,0,0,0,1|2,0,0]=4 622 B19R2.172186 CCc1cccc(c1Sc2cccnc2O)CC 62a_100000760158_100010212195 [0,1,0,0,0,1|2,0,0]=4 623 B19R2.172186 CCc1cccc(c1Sc2cccnc2O)CC 62a_100010212195_100000760158 [0,1,0,0,0,1|2,0,0]=4 624 B19R2.172186 CCc1cccc(c1Sc2cnccc2Br)CC 62a_100010138639_100010212195 [0,1,0,0,0,1|2,0,0]=4 625 B19R2.172186 CCc1cccc(c1Sc2cnccc2Br)CC 62a_100010212195_100010138639 [0,1,0,0,0,1|2,0,0]=4 626 B19R2.172186 CCc1cccc(c1Sc2cnccc2C)CC 62a_100000761580_100010212195 [0,1,0,0,0,1|2,0,0]=4 627 B19R2.172186 CCc1cccc(c1Sc2cnccc2C)CC 62a_100010212195_100000761580 [0,1,0,0,0,1|2,0,0]=4 628 B19R2.172186 CCc1cccc(c1Sc2cnccc2Cl)CC 62a_100009995489_100010212195 [0,1,0,0,0,1|2,0,0]=4 629 B19R2.172186 CCc1cccc(c1Sc2cnccc2Cl)CC 62a_100010212195_100009995489 [0,1,0,0,0,1|2,0,0]=4 630 B19R2.172186 CCc1cccc(c1Sc2cnccc2F)CC 62a_100009820683_100010212195 [0,1,0,0,0,1|2,0,0]=4 631 B19R2.172186 CCc1cccc(c1Sc2cnccc2F)CC 62a_100010212195_100009820683 [0,1,0,0,0,1|2,0,0]=4 632 B19R2.172186 CCc1cccc(c1Sc2cnccc2N)CC 62a_100000047001_100010212195 [0,1,0,0,0,1|2,0,0]=4 633 B19R2.172186 CCc1cccc(c1Sc2cnccc2N)CC 62a_100010212195_100000047001 [0,1,0,0,0,1|2,0,0]=4 634 B19R2.172186 CCc1cccc(c1Sc2ncc[nH]c2=O)CC 62a_100010212195_100000763361 [0,1,0,0,0,1|1,0,0]=3 635 B19R2.172186 CCc1cccc(c1Sc2ncccc2Br)CC 62a_100000696092_100010212195 [0,1,0,0,0,1|2,0,0]=4 636 B19R2.172186 CCc1cccc(c1Sc2ncccc2Br)CC 62a_100010212195_100000696092 [0,1,0,0,0,1|2,0,0]=4 637 B19R2.172186 CCc1cccc(c1Sc2ncccc2C)CC 62a_100000751373_100010212195 [0,1,0,0,0,1|2,0,0]=4 638 B19R2.172186 CCc1cccc(c1Sc2ncccc2C)CC 62a_100010212195_100000751373 [0,1,0,0,0,1|2,0,0]=4 639 B19R2.172186 CCc1cccc(c1Sc2ncccc2Cl)CC 62a_100010212195_100011356963 [0,1,0,0,0,1|2,0,0]=4 640 B19R2.172186 CCc1cccc(c1Sc2ncccc2Cl)CC 62a_100011356963_100010212195 [0,1,0,0,0,1|2,0,0]=4 641 B19R2.172186 CCc1cccc(c1Sc2ncccc2F)CC 62a_100000685392_100010212195 [0,1,0,0,0,1|2,0,0]=4 642 B19R2.172186 CCc1cccc(c1Sc2ncccc2F)CC 62a_100010212195_100000685392 [0,1,0,0,0,1|2,0,0]=4 643 B19R2.172186 CCc1cccc(c1Sc2ncccc2N)CC 62a_100000688686_100010212195 [0,1,0,0,0,1|2,0,0]=4 644 B19R2.172186 CCc1cccc(c1Sc2ncccc2N)CC 62a_100010212195_100000688686 [0,1,0,0,0,1|2,0,0]=4 645 B19R2.172186 CCc1cccc(c1Sc2ncccc2O)CC 62a_100000034122_100010212195 [0,1,0,0,0,1|2,0,0]=4 646 B19R2.172186 CCc1cccc(c1Sc2ncccc2O)CC 62a_100010212195_100000034122 [0,1,0,0,0,1|2,0,0]=4 647 B19R2.172186 CCc1cccc(c1Sc2nccnc2C)CC 62a_100010212195_100011999405 [0,1,0,0,0,1|1,0,1]=4 648 B19R2.172186 CCc1cccc(c1Sc2nccnc2C)CC 62a_100011999405_100010212195 [0,1,0,0,0,1|1,0,1]=4 649 B19R2.172186 CCc1cccc(c1Sc2nccnc2Cl)CC 62a_100010212195_100010886584 [0,1,0,0,0,1|1,0,1]=4 650 B19R2.172186 CCc1cccc(c1Sc2nccnc2Cl)CC 62a_100010886584_100010212195 [0,1,0,0,0,1|1,0,1]=4 651 B19R2.172186 CCc1cccc(c1Sc2nccnc2F)CC 62a_100010212195_200010125657 [0,1,0,0,0,1|1,0,1]=4 652 B19R2.172186 CCc1cccc(c1Sc2nccnc2F)CC 62a_200010125657_100010212195 [0,1,0,0,0,1|1,0,1]=4 653 B19R2.172186 CCc1cccc(c1Sc2nccnc2N)CC 62a_100000747729_100010212195 [0,1,0,0,0,1|1,0,1]=4 654 B19R2.172186 CCc1cccc(c1Sc2nccnc2N)CC 62a_100010212195_100000747729 [0,1,0,0,0,1|1,0,1]=4 655 B19R2.172186 CCc1cccc(c1Sc2ncncc2C)CC 62a_100010212195_100011998708 [0,1,0,0,0,1|2,0,0]=4 656 B19R2.172186 CCc1cccc(c1Sc2ncncc2C)CC 62a_100011998708_100010212195 [0,1,0,0,0,1|2,0,0]=4 657 B19R2.172186 CCc1cccc(c1Sc2ncncc2F)CC 62a_100000069762_100010212195 [0,1,0,0,0,1|2,0,0]=4 658 B19R2.172186 CCc1cccc(c1Sc2ncncc2F)CC 62a_100010212195_100000069762 [0,1,0,0,0,1|2,0,0]=4 659 B19R2.172186 CCc1cccc(c1Sc2ncncc2N)CC 62a_100000709731_100010212195 [0,1,0,0,0,1|2,0,0]=4 660 B19R2.172186 CCc1cccc(c1Sc2ncncc2N)CC 62a_100010212195_100000709731 [0,1,0,0,0,1|2,0,0]=4 661 B19R2.172186 CCc1cccc(c1Sc2nnccc2C)CC 62a_100010212195_100000089043 [0,1,0,0,0,1|2,0,0]=4 662 B19R2.190868 CCc1cccc(c1Nc2ccc(cn2)Br)CC 27a_100000211307_100000686858 [0,1,0,0,0,1|2,0,0]=4 663 B19R2.190868 CCc1cccc(c1Nc2ccc(nn2)C)CC 27a_100000211307_100000744512 [0,1,0,0,0,1|2,0,0]=4 664 B19R2.190868 CCc1cccc(c1Nc2cnc(cn2)Br)CC 27a_100000211307_100010187541 [0,1,0,0,0,1|1,0,1]=4 665 B19R2.190868 CCc1cccc(c1Nc2cnc(cn2)C)CC 27a_100000211307_100000074397 [0,1,0,0,0,1|1,0,1]=4 666 B19R2.190868 CCc1cccc(c1Nc2cnc(cn2)F)CC 27a_100000211307_100009856528 [0,1,0,0,0,1|1,0,1]=4 667 B19R2.190868 CCc1cccc(c1Nc2ncc(cn2)Br)CC 27a_100000211307_100000690281 [0,1,0,0,0,1|1,0,1]=4 668 B19R2.190868 CCc1cccc(c1Nc2ncc(cn2)C)CC 27a_100000211307_100000061069 [0,1,0,0,0,1|1,0,1]=4 669 B19R2.190868 CCc1cccc(c1Nc2ncc(cn2)Cl)CC 27a_100000211307_100011356929 [0,1,0,0,0,1|1,0,1]=4 670 B19R2.190868 CCc1cccc(c1Nc2ncc(cn2)F)CC 27a_100000211307_100000685220 [0,1,0,0,0,1|1,0,1]=4 671 B19R2.190868 CCc1cccc(c1Sc2ccc(=O)[nH]c2)CC 62a_100000212171_100010212195 [0,1,0,0,0,1|2,0,0]=4 672 B19R2.190868 CCc1cccc(c1Sc2ccc(=O)[nH]c2)CC 62a_100010212195_100000212171 [0,1,0,0,0,1|2,0,0]=4 673 B19R2.190868 CCc1cccc(c1Sc2ccc(=O)[nH]n2)CC 62a_100009820020_100010212195 [0,1,0,0,0,1|2,0,0]=4 674 B19R2.190868 CCc1cccc(c1Sc2ccc(=O)[nH]n2)CC 62a_100010212195_100009820020 [0,1,0,0,0,1|2,0,0]=4 675 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)Br)CC 62a_100000686858_100010212195 [0,1,0,0,0,1|2,0,0]=4 676 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)Br)CC 62a_100010212195_100000686858 [0,1,0,0,0,1|2,0,0]=4 677 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)C)CC 62a_100010212195_100000754016 [0,1,0,0,0,1|2,0,0]=4 678 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)C)CC 62a_100011192072_100010212195 [0,1,0,0,0,1|2,0,0]=4 679 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)Cl)CC 62a_100010212195_100011356976 [0,1,0,0,0,1|2,0,0]=4 680 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)Cl)CC 62a_100011356976_100010212195 [0,1,0,0,0,1|2,0,0]=4 681 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)F)CC 62a_100000744514_100010212195 [0,1,0,0,0,1|2,0,0]=4 682 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)F)CC 62a_100010212195_100000744514 [0,1,0,0,0,1|2,0,0]=4 683 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)N)CC 62a_100000737798_100010212195 [0,1,0,0,0,1|2,0,0]=4 684 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)N)CC 62a_100010212195_100000737798 [0,1,0,0,0,1|2,0,0]=4 685 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)O)CC 62a_100000685995_100010212195 [0,1,0,0,0,1|2,0,0]=4 686 B19R2.190868 CCc1cccc(c1Sc2ccc(cn2)O)CC 62a_100010212195_100000744096 [0,1,0,0,0,1|2,0,0]=4 687 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)Br)CC 62a_100009814638_100010212195 [0,1,0,0,0,1|2,0,0]=4 688 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)Br)CC 62a_100010212195_100009814638 [0,1,0,0,0,1|2,0,0]=4 689 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)C)CC 62a_100000751577_100010212195 [0,1,0,0,0,1|2,0,0]=4 690 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)C)CC 62a_100010212195_100000751577 [0,1,0,0,0,1|2,0,0]=4 691 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)Cl)CC 62a_100000034144_100010212195 [0,1,0,0,0,1|2,0,0]=4 692 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)Cl)CC 62a_100010212195_100000034144 [0,1,0,0,0,1|2,0,0]=4 693 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)F)CC 62a_100000042367_100010212195 [0,1,0,0,0,1|2,0,0]=4 694 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)F)CC 62a_100010212195_100000042367 [0,1,0,0,0,1|2,0,0]=4 695 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)N)CC 62a_100000187370_100010212195 [0,1,0,0,0,1|2,0,0]=4 696 B19R2.190868 CCc1cccc(c1Sc2ccc(nc2)N)CC 62a_100010212195_100000187370 [0,1,0,0,0,1|2,0,0]=4 697 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)C)CC 62a_100000744512_100010212195 [0,1,0,0,0,1|2,0,0]=4 698 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)C)CC 62a_100010212195_100000744512 [0,1,0,0,0,1|2,0,0]=4 699 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)Cl)CC 62a_100000068654_100010212195 [0,1,0,0,0,1|2,0,0]=4 700 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)Cl)CC 62a_100010212195_100000068654 [0,1,0,0,0,1|2,0,0]=4 701 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)N)CC 62a_100010212195_100010219413 [0,1,0,0,0,1|2,0,0]=4 702 B19R2.190868 CCc1cccc(c1Sc2ccc(nn2)N)CC 62a_100010219413_100010212195 [0,1,0,0,0,1|2,0,0]=4 703 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)Br)CC 62a_100010187541_100010212195 [0,1,0,0,0,1|1,0,1]=4 704 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)Br)CC 62a_100010212195_100010187541 [0,1,0,0,0,1|1,0,1]=4 705 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)C)CC 62a_100010212195_100011999403 [0,1,0,0,0,1|1,0,1]=4 706 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)C)CC 62a_100011999403_100010212195 [0,1,0,0,0,1|1,0,1]=4 707 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)Cl)CC 62a_100010212195_100010214907 [0,1,0,0,0,1|1,0,1]=4 708 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)Cl)CC 62a_100010214907_100010212195 [0,1,0,0,0,1|1,0,1]=4 709 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)F)CC 62a_100009856528_100010212195 [0,1,0,0,0,1|1,0,1]=4 710 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)F)CC 62a_100010212195_100009856528 [0,1,0,0,0,1|1,0,1]=4 711 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)N)CC 62a_100000744751_100010212195 [0,1,0,0,0,1|1,0,1]=4 712 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)N)CC 62a_100010212195_100000744751 [0,1,0,0,0,1|1,0,1]=4 713 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)O)CC 62a_100010212195_100015839800 [0,1,0,0,0,1|1,0,1]=4 714 B19R2.190868 CCc1cccc(c1Sc2cnc(cn2)O)CC 62a_100011934580_100010212195 [0,1,0,0,0,1|1,0,1]=4 715 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)Br)CC 62a_100000690281_100010212195 [0,1,0,0,0,1|1,0,1]=4 716 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)Br)CC 62a_100010212195_100000690281 [0,1,0,0,0,1|1,0,1]=4 717 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)C)CC 62a_100000061069_100010212195 [0,1,0,0,0,1|1,0,1]=4 718 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)C)CC 62a_100010212195_100000061069 [0,1,0,0,0,1|1,0,1]=4 719 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)Cl)CC 62a_100010212195_100011356929 [0,1,0,0,0,1|1,0,1]=4 720 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)Cl)CC 62a_100011356929_100010212195 [0,1,0,0,0,1|1,0,1]=4 721 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)F)CC 62a_100000685220_100010212195 [0,1,0,0,0,1|1,0,1]=4 722 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)F)CC 62a_100010212195_100000685220 [0,1,0,0,0,1|1,0,1]=4 723 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)N)CC 62a_100000068403_100010212195 [0,1,0,0,0,1|1,0,1]=4 724 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)N)CC 62a_100010212195_100000068403 [0,1,0,0,0,1|1,0,1]=4 725 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)O)CC 62a_100000730009_100010212195 [0,1,0,0,0,1|1,0,1]=4 726 B19R2.190868 CCc1cccc(c1Sc2ncc(cn2)O)CC 62a_100010212195_100000092845 [0,1,0,0,0,1|1,0,1]=4 727 B19R2.190895 CCc1cccc(c1Nc2c[n+](ccn2)[O-])CC 27a_100000211307_100009880115 [0,1,0,0,0,1|1,0,1]=4 728 B19R2.190895 CCc1cccc(c1Nc2cc(ccn2)F)CC 27a_100000211307_100000764206 [0,1,0,0,0,1|2,0,0]=4 729 B19R2.190895 CCc1cccc(c1Nc2cc(cnn2)C)CC 27a_100000211307_100000070100 [0,1,0,0,0,1|2,0,0]=4 730 B19R2.190895 CCc1cccc(c1Nc2cc(ncn2)C)CC 27a_100000211307_100000744208 [0,1,0,0,0,1|2,0,0]=4 731 B19R2.190895 CCc1cccc(c1Nc2cc(ncn2)F)CC 27a_100000211307_200009880791 [0,1,0,0,0,1|2,0,0]=4 732 B19R2.190895 CCc1cccc(c1Nc2cc(ncn2)N)CC 27a_100000211307_100000701291 [0,1,0,0,0,1|2,0,0]=4 733 B19R2.190895 CCc1cccc(c1Nc2cc(ncn2)O)CC 27a_100000211307_100000765262 [0,1,0,0,0,1|2,0,0]=4 734 B19R2.190895 CCc1cccc(c1Nc2cc[nH]c(=O)n2)CC 27a_100000211307_200000134032 [0,1,0,0,0,1|2,0,0]=4 735 B19R2.190895 CCc1cccc(c1Nc2cccc(n2)F)CC 27a_100000211307_100009815982 [0,1,0,0,0,1|2,0,0]=4 736 B19R2.190895 CCc1cccc(c1Nc2ccnc(n2)C)CC 27a_100000211307_100000749937 [0,1,0,0,0,1|2,0,0]=4 737 B19R2.190895 CCc1cccc(c1Nc2ccnc(n2)N)CC 27a_100000211307_100000055538 [0,1,0,0,0,1|2,0,0]=4 738 B19R2.190895 CCc1cccc(c1Nc2cncc(n2)C)CC 27a_100000211307_100000754123 [0,1,0,0,0,1|1,0,1]=4 739 B19R2.190895 CCc1cccc(c1Nc2cncc(n2)Cl)CC 27a_100000211307_100010892449 [0,1,0,0,0,1|1,0,1]=4 740 B19R2.190895 CCc1cccc(c1Nc2cncc(n2)F)CC 27a_100000211307_200009863489 [0,1,0,0,0,1|1,0,1]=4 741 B19R2.190895 CCc1cccc(c1Nc2nccc(n2)C)CC 27a_100000211307_100000750684 [0,1,0,0,0,1|1,0,1]=4 742 B19R2.190895 CCc1cccc(c1Nc2nccc(n2)N)CC 27a_100000211307_100000757536 [0,1,0,0,0,1|1,0,1]=4 743 B19R2.190895 CCc1cccc(c1Nc2nccc(n2)O)CC 27a_100000211307_100011649813 [0,1,0,0,0,1|1,0,1]=4 744 B19R2.190895 CCc1cccc(c1Nc2ncnc(n2)N)CC 27a_100000211307_100000123831 [0,1,0,0,0,1|1,0,1]=4 745 B19R2.190895 CCc1cccc(c1Sc2c[n+](ccn2)[O-])CC 62a_100010212195_100009880115 [0,1,0,0,0,1|1,0,1]=4 746 B19R2.190895 CCc1cccc(c1Sc2cc(=O)[nH]cn2)CC 62a_100012002517_100010212195 [0,1,0,0,0,1|2,0,0]=4 747 B19R2.190895 CCc1cccc(c1Sc2cc(=O)cc[nH]2)CC 62a_100009817434_100010212195 [0,1,0,0,0,1|2,0,0]=4 748 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)C)CC 62a_100000750283_100010212195 [0,1,0,0,0,1|2,0,0]=4 749 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)C)CC 62a_100010212195_100000750283 [0,1,0,0,0,1|2,0,0]=4 750 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)Cl)CC 62a_100010167805_100010212195 [0,1,0,0,0,1|2,0,0]=4 751 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)Cl)CC 62a_100010212195_100010167805 [0,1,0,0,0,1|2,0,0]=4 752 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)F)CC 62a_100000764206_100010212195 [0,1,0,0,0,1|2,0,0]=4 753 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)F)CC 62a_100010212195_100000764206 [0,1,0,0,0,1|2,0,0]=4 754 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)N)CC 62a_100009814236_100010212195 [0,1,0,0,0,1|2,0,0]=4 755 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)N)CC 62a_100010212195_100009814236 [0,1,0,0,0,1|2,0,0]=4 756 B19R2.190895 CCc1cccc(c1Sc2cc(ccn2)O)CC 62a_100010212195_100000762945 [0,1,0,0,0,1|2,0,0]=4 757 B19R2.190895 CCc1cccc(c1Sc2cc(cnn2)C)CC 62a_100000070100_100010212195 [0,1,0,0,0,1|2,0,0]=4 758 B19R2.190895 CCc1cccc(c1Sc2cc(cnn2)C)CC 62a_100010212195_100000070100 [0,1,0,0,0,1|2,0,0]=4 759 B19R2.190895 CCc1cccc(c1Sc2cc(cnn2)N)CC 62a_100010212195_100011996757 [0,1,0,0,0,1|2,0,0]=4 760 B19R2.190895 CCc1cccc(c1Sc2cc(cnn2)N)CC 62a_100011996757_100010212195 [0,1,0,0,0,1|2,0,0]=4 761 B19R2.190895 CCc1cccc(c1Sc2cc(cnn2)O)CC 62a_100010212195_200010734679 [0,1,0,0,0,1|2,0,0]=4 762 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)C)CC 62a_100000744208_100010212195 [0,1,0,0,0,1|2,0,0]=4 763 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)C)CC 62a_100010212195_100000744208 [0,1,0,0,0,1|2,0,0]=4 764 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)Cl)CC 62a_100010161198_100010212195 [0,1,0,0,0,1|2,0,0]=4 765 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)Cl)CC 62a_100010212195_100010161198 [0,1,0,0,0,1|2,0,0]=4 766 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)F)CC 62a_100010212195_200009880791 [0,1,0,0,0,1|2,0,0]=4 767 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)F)CC 62a_200009880791_100010212195 [0,1,0,0,0,1|2,0,0]=4 768 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)N)CC 62a_100000701291_100010212195 [0,1,0,0,0,1|2,0,0]=4 769 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)N)CC 62a_100010212195_100000701291 [0,1,0,0,0,1|2,0,0]=4 770 B19R2.190895 CCc1cccc(c1Sc2cc(ncn2)O)CC 62a_100010212195_100000765262 [0,1,0,0,0,1|2,0,0]=4 771 B19R2.190895 CCc1cccc(c1Sc2cc[nH]c(=O)n2)CC 62a_100010212195_200000134032 [0,1,0,0,0,1|2,0,0]=4 772 B19R2.190895 CCc1cccc(c1Sc2cccc(=O)[nH]2)CC 62a_100010212195_100000752884 [0,1,0,0,0,1|2,0,0]=4 773 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)Br)CC 62a_100000684672_100010212195 [0,1,0,0,0,1|2,0,0]=4 774 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)Br)CC 62a_100010212195_100000684672 [0,1,0,0,0,1|2,0,0]=4 775 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)C)CC 62a_100000742759_100010212195 [0,1,0,0,0,1|2,0,0]=4 776 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)C)CC 62a_100010212195_100000742759 [0,1,0,0,0,1|2,0,0]=4 777 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)Cl)CC 62a_100000051397_100010212195 [0,1,0,0,0,1|2,0,0]=4 778 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)Cl)CC 62a_100010212195_100000051397 [0,1,0,0,0,1|2,0,0]=4 779 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)F)CC 62a_100009815982_100010212195 [0,1,0,0,0,1|2,0,0]=4 780 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)F)CC 62a_100010212195_100009815982 [0,1,0,0,0,1|2,0,0]=4 781 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)N)CC 62a_100000740741_100010212195 [0,1,0,0,0,1|2,0,0]=4 782 B19R2.190895 CCc1cccc(c1Sc2cccc(n2)N)CC 62a_100010212195_100000740741 [0,1,0,0,0,1|2,0,0]=4 783 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)C)CC 62a_100000749937_100010212195 [0,1,0,0,0,1|2,0,0]=4 784 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)C)CC 62a_100010212195_100000749937 [0,1,0,0,0,1|2,0,0]=4 785 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)Cl)CC 62a_100010154678_100010212195 [0,1,0,0,0,1|2,0,0]=4 786 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)Cl)CC 62a_100010212195_100010154678 [0,1,0,0,0,1|2,0,0]=4 787 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)N)CC 62a_100000055538_100010212195 [0,1,0,0,0,1|2,0,0]=4 788 B19R2.190895 CCc1cccc(c1Sc2ccnc(n2)N)CC 62a_100010212195_100000055538 [0,1,0,0,0,1|2,0,0]=4 789 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)Br)CC 62a_100000728054_100010212195 [0,1,0,0,0,1|2,0,0]=4 790 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)Br)CC 62a_100010212195_100000728054 [0,1,0,0,0,1|2,0,0]=4 791 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)C)CC 62a_100000760492_100010212195 [0,1,0,0,0,1|2,0,0]=4 792 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)C)CC 62a_100010212195_100000760492 [0,1,0,0,0,1|2,0,0]=4 793 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)Cl)CC 62a_100000049639_100010212195 [0,1,0,0,0,1|2,0,0]=4 794 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)Cl)CC 62a_100010212195_100000049639 [0,1,0,0,0,1|2,0,0]=4 795 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)F)CC 62a_100000744099_100010212195 [0,1,0,0,0,1|2,0,0]=4 796 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)F)CC 62a_100010212195_100000744099 [0,1,0,0,0,1|2,0,0]=4 797 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)N)CC 62a_100000687067_100010212195 [0,1,0,0,0,1|2,0,0]=4 798 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)N)CC 62a_100010212195_100000687067 [0,1,0,0,0,1|2,0,0]=4 799 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)O)CC 62a_100000754920_100010212195 [0,1,0,0,0,1|2,0,0]=4 800 B19R2.190895 CCc1cccc(c1Sc2cncc(c2)O)CC 62a_100010212195_100000754920 [0,1,0,0,0,1|2,0,0]=4 801 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)C)CC 62a_100000754123_100010212195 [0,1,0,0,0,1|1,0,1]=4 802 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)C)CC 62a_100010212195_100000754123 [0,1,0,0,0,1|1,0,1]=4 803 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)Cl)CC 62a_100010212195_100010892449 [0,1,0,0,0,1|1,0,1]=4 804 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)Cl)CC 62a_100010892449_100010212195 [0,1,0,0,0,1|1,0,1]=4 805 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)F)CC 62a_100010212195_200009863489 [0,1,0,0,0,1|1,0,1]=4 806 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)F)CC 62a_200009863489_100010212195 [0,1,0,0,0,1|1,0,1]=4 807 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)N)CC 62a_100000747728_100010212195 [0,1,0,0,0,1|1,0,1]=4 808 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)N)CC 62a_100010212195_100000747728 [0,1,0,0,0,1|1,0,1]=4 809 B19R2.190895 CCc1cccc(c1Sc2cncc(n2)O)CC 62a_100010212195_100011269956 [0,1,0,0,0,1|1,0,1]=4 810 B19R2.190895 CCc1cccc(c1Sc2nccc(n2)C)CC 62a_100010212195_100011243806 [0,1,0,0,0,1|1,0,1]=4 811 B19R2.190895 CCc1cccc(c1Sc2nccc(n2)C)CC 62a_100011243806_100010212195 [0,1,0,0,0,1|1,0,1]=4 812 B19R2.190895 CCc1cccc(c1Sc2nccc(n2)N)CC 62a_100000757536_100010212195 [0,1,0,0,0,1|1,0,1]=4 813 B19R2.190895 CCc1cccc(c1Sc2nccc(n2)N)CC 62a_100010212195_100000757536 [0,1,0,0,0,1|1,0,1]=4 814 B19R2.190895 CCc1cccc(c1Sc2nccc(n2)O)CC 62a_100010212195_100011649813 [0,1,0,0,0,1|1,0,1]=4 815 B19R2.190895 CCc1cccc(c1Sc2ncnc(n2)N)CC 62a_100000123831_100010212195 [0,1,0,0,0,1|1,0,1]=4 816 B19R2.190895 CCc1cccc(c1Sc2ncnc(n2)N)CC 62a_100010212195_100000123831 [0,1,0,0,0,1|1,0,1]=4 817 B19R2.7837 CCc1cc(cc(c1NCC2=NCCN2)CC)Br 34a_100011216614_100000737910 [0,1,0,0,0,1|0,0,2]=4 818 B19R2.7837 CCc1cc(cc(c1NCC2=NCCN2)CC)Br 7a_100011216614_100000737910 [0,1,0,0,0,1|0,0,2]=4 819 B19R2.7837 CCc1cc(cc(c1NCC2=NCCN2)CC)C 34a_100000061337_100000737910 [0,1,0,0,0,1|0,0,2]=4 820 B19R2.7837 CCc1cc(cc(c1NCC2=NCCN2)CC)C 7a_100000061337_100000737910 [0,1,0,0,0,1|0,0,2]=4 821 B19R2.7837 CCc1cc(cc(c1NCc2c[nH]cn2)CC)Br 2230a_100011216614_100000707719 [0,1,0,0,0,1|2,0,0]=4 822 B19R2.7837 CCc1cc(cc(c1NCc2c[nH]cn2)CC)Br 34a_100011216614_100000707719 [0,1,0,0,0,1|2,0,0]=4 823 B19R2.7837 CCc1cc(cc(c1NCc2c[nH]cn2)CC)C 2230a_100000061337_100000707719 [0,1,0,0,0,1|2,0,0]=4 824 B19R2.7837 CCc1cc(cc(c1NCc2c[nH]cn2)CC)C 34a_100000061337_100000707719 [0,1,0,0,0,1|2,0,0]=4 825 B19R2.7837 CCc1cc(cc(c1NCc2cc[nH]n2)CC)Br 207a_100011216614_100000738523 [0,1,0,0,0,1|2,0,0]=4 826 B19R2.7837 CCc1cc(cc(c1NCc2cc[nH]n2)CC)C 207a_100000061337_100000738523 [0,1,0,0,0,1|2,0,0]=4 827 B19R2.7837 CCc1cc(cc(c1NCc2ccco2)CC)Br 207a_100011216614_100000186105 [0,1,0,0,0,1|2,0,0]=4 828 B19R2.7837 CCc1cc(cc(c1NCc2ccco2)CC)Br 270302a_100011216614_100000186105 [0,1,0,0,0,1|2,0,0]=4 829 B19R2.7837 CCc1cc(cc(c1NCc2ccco2)CC)C 207a_100000061337_100000186105 [0,1,0,0,0,1|2,0,0]=4 830 B19R2.7837 CCc1cc(cc(c1NCc2ccco2)CC)C 270302a_100000061337_100000186105 [0,1,0,0,0,1|2,0,0]=4 831 B19R2.7837 CCc1cc(cc(c1NCc2cccs2)CC)Br 207a_100011216614_100000209959 [0,1,0,0,0,1|2,0,0]=4 832 B19R2.7837 CCc1cc(cc(c1NCc2cccs2)CC)Br 270302a_100011216614_100000209959 [0,1,0,0,0,1|2,0,0]=4 833 B19R2.7837 CCc1cc(cc(c1NCc2cccs2)CC)C 207a_100000061337_100000209959 [0,1,0,0,0,1|2,0,0]=4 834 B19R2.7837 CCc1cc(cc(c1NCc2cccs2)CC)C 270302a_100000061337_100000209959 [0,1,0,0,0,1|2,0,0]=4 835 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)Br 2230a_100011216614_100000728653 [0,1,0,0,0,1|2,0,0]=4 836 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)Br 34a_100011216614_100000728653 [0,1,0,0,0,1|2,0,0]=4 837 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)Br 7a_100011216614_100000728653 [0,1,0,0,0,1|2,0,0]=4 838 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)C 2230a_100000061337_100000728653 [0,1,0,0,0,1|2,0,0]=4 839 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)C 34a_100000061337_100000728653 [0,1,0,0,0,1|2,0,0]=4 840 B19R2.7837 CCc1cc(cc(c1NCc2ccn[nH]2)CC)C 7a_100000061337_100000728653 [0,1,0,0,0,1|2,0,0]=4 841 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)Br 2230a_100011216614_100000234950 [0,1,0,0,0,1|2,0,0]=4 842 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)Br 34a_100011216614_100000234950 [0,1,0,0,0,1|2,0,0]=4 843 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)Br 7a_100011216614_100000234950 [0,1,0,0,0,1|2,0,0]=4 844 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)C 2230a_100000061337_100000234950 [0,1,0,0,0,1|2,0,0]=4 845 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)C 34a_100000061337_100000234950 [0,1,0,0,0,1|2,0,0]=4 846 B19R2.7837 CCc1cc(cc(c1NCc2ccon2)CC)C 7a_100000061337_100000234950 [0,1,0,0,0,1|2,0,0]=4 847 B19R2.7837 CCc1cc(cc(c1NCc2cnc[nH]2)CC)Br 207a_100011216614_100000742939 [0,1,0,0,0,1|2,0,0]=4 848 B19R2.7837 CCc1cc(cc(c1NCc2cnc[nH]2)CC)C 207a_100000061337_100000742939 [0,1,0,0,0,1|2,0,0]=4 849 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)Br 207a_100011216614_100000743575 [0,1,0,0,0,1|2,0,0]=4 850 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)Br 2230a_100011216614_100000205941 [0,1,0,0,0,1|2,0,0]=4 851 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)Br 270302a_100011216614_100000743575 [0,1,0,0,0,1|2,0,0]=4 852 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)Br 34a_100011216614_100000205941 [0,1,0,0,0,1|2,0,0]=4 853 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)Br 7a_100011216614_100000205941 [0,1,0,0,0,1|2,0,0]=4 854 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)C 207a_100000061337_100000743575 [0,1,0,0,0,1|2,0,0]=4 855 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)C 2230a_100000061337_100000205941 [0,1,0,0,0,1|2,0,0]=4 856 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)C 270302a_100000061337_100000743575 [0,1,0,0,0,1|2,0,0]=4 857 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)C 34a_100000061337_100000205941 [0,1,0,0,0,1|2,0,0]=4 858 B19R2.7837 CCc1cc(cc(c1NCc2cscn2)CC)C 7a_100000061337_100000205941 [0,1,0,0,0,1|2,0,0]=4 859 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)Br 207a_100011216614_100000743867 [0,1,0,0,0,1|0,0,0]=2 860 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)Br 2230a_100011216614_100016991755 [0,1,0,0,0,1|0,0,0]=2 861 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)Br 34a_100011216614_100016991755 [0,1,0,0,0,1|0,0,0]=2 862 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)Br 7a_100011216614_100000753453 [0,1,0,0,0,1|0,0,0]=2 863 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)C 207a_100000061337_100000743867 [0,1,0,0,0,1|0,0,0]=2 864 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)C 2230a_100000061337_100016991755 [0,1,0,0,0,1|0,0,0]=2 865 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)C 34a_100000061337_100016991755 [0,1,0,0,0,1|0,0,0]=2 866 B19R2.7837 CCc1cc(cc(c1NCc2ncc[nH]2)CC)C 7a_100000061337_100000753453 [0,1,0,0,0,1|0,0,0]=2 867 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)Br 2230a_100011216614_103436540062 [0,1,0,0,0,1|1,0,0]=3 868 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)Br 34a_100011216614_103436540062 [0,1,0,0,0,1|1,0,0]=3 869 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)Br 7a_100011216614_103436540062 [0,1,0,0,0,1|1,0,0]=3 870 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)C 2230a_100000061337_103436540062 [0,1,0,0,0,1|1,0,0]=3 871 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)C 34a_100000061337_103436540062 [0,1,0,0,0,1|1,0,0]=3 872 B19R2.7837 CCc1cc(cc(c1NCc2ncco2)CC)C 7a_100000061337_103436540062 [0,1,0,0,0,1|1,0,0]=3 873 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)Br 207a_100011216614_100000750902 [0,1,0,0,0,1|1,0,0]=3 874 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)Br 2230a_100011216614_100015184050 [0,1,0,0,0,1|1,0,0]=3 875 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)Br 270302a_100011216614_100000750902 [0,1,0,0,0,1|1,0,0]=3 876 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)Br 34a_100011216614_100015184050 [0,1,0,0,0,1|1,0,0]=3 877 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)Br 7a_100011216614_100015184050 [0,1,0,0,0,1|1,0,0]=3 878 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)C 207a_100000061337_100000750902 [0,1,0,0,0,1|1,0,0]=3 879 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)C 2230a_100000061337_100015184050 [0,1,0,0,0,1|1,0,0]=3 880 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)C 270302a_100000061337_100000750902 [0,1,0,0,0,1|1,0,0]=3 881 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)C 34a_100000061337_100015184050 [0,1,0,0,0,1|1,0,0]=3 882 B19R2.7837 CCc1cc(cc(c1NCc2nccs2)CC)C 7a_100000061337_100015184050 [0,1,0,0,0,1|1,0,0]=3 883 B19R2.7837 CCc1cc(cc(c1NCc2ncon2)CC)Br 34a_100011216614_100000233494 [0,1,0,0,0,1|1,0,1]=4 884 B19R2.7837 CCc1cc(cc(c1NCc2ncon2)CC)C 34a_100000061337_100000233494 [0,1,0,0,0,1|1,0,1]=4 885 B19R2.7837 CCc1cc(cc(c1NCc2nnn[nH]2)CC)Br 34a_100011216614_100000765167 [0,1,0,0,0,1|2,0,0]=4 886 B19R2.7837 CCc1cc(cc(c1NCc2nnn[nH]2)CC)Br 7a_100011216614_100000765167 [0,1,0,0,0,1|2,0,0]=4 887 B19R2.7837 CCc1cc(cc(c1NCc2nnn[nH]2)CC)C 34a_100000061337_100000765167 [0,1,0,0,0,1|2,0,0]=4 888 B19R2.7837 CCc1cc(cc(c1NCc2nnn[nH]2)CC)C 7a_100000061337_100000765167 [0,1,0,0,0,1|2,0,0]=4 889 B19R2.7837 CCc1cc(cc(c1SCC2=NCCN2)CC)Br 62a_100000737910_100010205833 [0,1,0,0,0,1|0,0,2]=4 890 B19R2.7837 CCc1cc(cc(c1SCC2=NCCN2)CC)Br 62a_100010205833_100000737910 [0,1,0,0,0,1|0,0,2]=4 891 B19R2.7837 CCc1cc(cc(c1SCC2=NCCN2)CC)C 62a_100000737910_100010203090 [0,1,0,0,0,1|0,0,2]=4 892 B19R2.7837 CCc1cc(cc(c1SCC2=NCCN2)CC)C 62a_100010203090_100000737910 [0,1,0,0,0,1|0,0,2]=4 893 B19R2.7837 CCc1cc(cc(c1SCc2c[nH]cn2)CC)Br 62a_100000707719_100010205833 [0,1,0,0,0,1|2,0,0]=4 894 B19R2.7837 CCc1cc(cc(c1SCc2c[nH]cn2)CC)Br 62a_100010205833_100000707719 [0,1,0,0,0,1|2,0,0]=4 895 B19R2.7837 CCc1cc(cc(c1SCc2c[nH]cn2)CC)C 62a_100000707719_100010203090 [0,1,0,0,0,1|2,0,0]=4 896 B19R2.7837 CCc1cc(cc(c1SCc2c[nH]cn2)CC)C 62a_100010203090_100000707719 [0,1,0,0,0,1|2,0,0]=4 897 B19R2.7837 CCc1cc(cc(c1SCc2ccn[nH]2)CC)Br 62a_100000728653_100010205833 [0,1,0,0,0,1|2,0,0]=4 898 B19R2.7837 CCc1cc(cc(c1SCc2ccn[nH]2)CC)Br 62a_100010205833_100000728653 [0,1,0,0,0,1|2,0,0]=4 899 B19R2.7837 CCc1cc(cc(c1SCc2ccn[nH]2)CC)C 62a_100000728653_100010203090 [0,1,0,0,0,1|2,0,0]=4 900 B19R2.7837 CCc1cc(cc(c1SCc2ccn[nH]2)CC)C 62a_100010203090_100000728653 [0,1,0,0,0,1|2,0,0]=4 901 B19R2.7837 CCc1cc(cc(c1SCc2ccon2)CC)Br 62a_100000234950_100010205833 [0,1,0,0,0,1|2,0,0]=4 902 B19R2.7837 CCc1cc(cc(c1SCc2ccon2)CC)Br 62a_100010205833_100000234950 [0,1,0,0,0,1|2,0,0]=4 903 B19R2.7837 CCc1cc(cc(c1SCc2ccon2)CC)C 62a_100000234950_100010203090 [0,1,0,0,0,1|2,0,0]=4 904 B19R2.7837 CCc1cc(cc(c1SCc2ccon2)CC)C 62a_100010203090_100000234950 [0,1,0,0,0,1|2,0,0]=4 905 B19R2.7837 CCc1cc(cc(c1SCc2cscn2)CC)Br 62a_100000205941_100010205833 [0,1,0,0,0,1|2,0,0]=4 906 B19R2.7837 CCc1cc(cc(c1SCc2cscn2)CC)Br 62a_100010205833_100000205941 [0,1,0,0,0,1|2,0,0]=4 907 B19R2.7837 CCc1cc(cc(c1SCc2cscn2)CC)C 62a_100000205941_100010203090 [0,1,0,0,0,1|2,0,0]=4 908 B19R2.7837 CCc1cc(cc(c1SCc2cscn2)CC)C 62a_100010203090_100000205941 [0,1,0,0,0,1|2,0,0]=4 909 B19R2.7837 CCc1cc(cc(c1SCc2ncc[nH]2)CC)Br 62a_100010205833_100016991755 [0,1,0,0,0,1|0,0,0]=2 910 B19R2.7837 CCc1cc(cc(c1SCc2ncc[nH]2)CC)Br 62a_100016991755_100010205833 [0,1,0,0,0,1|0,0,0]=2 911 B19R2.7837 CCc1cc(cc(c1SCc2ncc[nH]2)CC)C 62a_100010203090_100016991755 [0,1,0,0,0,1|0,0,0]=2 912 B19R2.7837 CCc1cc(cc(c1SCc2ncc[nH]2)CC)C 62a_100016991755_100010203090 [0,1,0,0,0,1|0,0,0]=2 913 B19R2.7837 CCc1cc(cc(c1SCc2ncco2)CC)Br 62a_100010205833_103436540062 [0,1,0,0,0,1|1,0,0]=3 914 B19R2.7837 CCc1cc(cc(c1SCc2ncco2)CC)Br 62a_103436540062_100010205833 [0,1,0,0,0,1|1,0,0]=3 915 B19R2.7837 CCc1cc(cc(c1SCc2ncco2)CC)C 62a_100010203090_103436540062 [0,1,0,0,0,1|1,0,0]=3 916 B19R2.7837 CCc1cc(cc(c1SCc2ncco2)CC)C 62a_103436540062_100010203090 [0,1,0,0,0,1|1,0,0]=3 917 B19R2.7837 CCc1cc(cc(c1SCc2nccs2)CC)Br 62a_100010205833_100015184050 [0,1,0,0,0,1|1,0,0]=3 918 B19R2.7837 CCc1cc(cc(c1SCc2nccs2)CC)Br 62a_100015184050_100010205833 [0,1,0,0,0,1|1,0,0]=3 919 B19R2.7837 CCc1cc(cc(c1SCc2nccs2)CC)C 62a_100010203090_100015184050 [0,1,0,0,0,1|1,0,0]=3 920 B19R2.7837 CCc1cc(cc(c1SCc2nccs2)CC)C 62a_100015184050_100010203090 [0,1,0,0,0,1|1,0,0]=3 921 B19R2.7837 CCc1cc(cc(c1SCc2ncon2)CC)Br 62a_100000233494_100010205833 [0,1,0,0,0,1|1,0,1]=4 922 B19R2.7837 CCc1cc(cc(c1SCc2ncon2)CC)Br 62a_100010205833_100000233494 [0,1,0,0,0,1|1,0,1]=4 923 B19R2.7837 CCc1cc(cc(c1SCc2ncon2)CC)C 62a_100000233494_100010203090 [0,1,0,0,0,1|1,0,1]=4 924 B19R2.7837 CCc1cc(cc(c1SCc2ncon2)CC)C 62a_100010203090_100000233494 [0,1,0,0,0,1|1,0,1]=4 925 B19R2.7837 CCc1cc(cc(c1SCc2nnn[nH]2)CC)Br 62a_100000765167_100010205833 [0,1,0,0,0,1|2,0,0]=4 926 B19R2.7837 CCc1cc(cc(c1SCc2nnn[nH]2)CC)Br 62a_100010205833_100000765167 [0,1,0,0,0,1|2,0,0]=4 927 B19R2.7837 CCc1cc(cc(c1SCc2nnn[nH]2)CC)C 62a_100000765167_100010203090 [0,1,0,0,0,1|2,0,0]=4 928 B19R2.7837 CCc1cc(cc(c1SCc2nnn[nH]2)CC)C 62a_100010203090_100000765167 [0,1,0,0,0,1|2,0,0]=4 929 B19R2.7837 COc1cc(cc(c1NCc2ncc[nH]2)CO)Br 207a_100010235085_100000743867 [0,1,0,0,0,1|2,0,0]=4 930 B19R2.7837 COc1cc(cc(c1OCc2ncc[nH]2)CO)Br 34a_100000185604_100016991755 [0,1,0,0,0,1|2,0,0]=4 931 B19R2.7837 COc1cc(cc(c1OCc2ncc[nH]2)OC)Br 34a_100000691893_100016991755 [0,1,0,0,0,1|2,0,0]=4 932 B19R2.7837 COc1cc(cc(c1OCc2ncc[nH]2)OC)C 34a_100000186469_100016991755 [0,1,0,0,0,1|2,0,0]=4 933 B19R2.7837 Cc1cc(c(c(c1)CO)OCc2ncc[nH]2)CO 34a_100000028443_100016991755 [0,1,0,0,0,1|2,0,0]=4 934 B19R2.7837 Cc1cc(c(c(c1)CO)OCc2ncc[nH]2)CO 7a_100000028443_100000753453 [0,1,0,0,0,1|2,0,0]=4 935 B19R2.7837 OCc1cc(cc(c1OCc2ncc[nH]2)CO)F 34a_100000010574_100016991755 [0,1,0,0,0,1|2,0,0]=4 936 B19R2.7837 OCc1cc(cc(c1OCc2ncc[nH]2)CO)F 7a_100000010574_100000753453 [0,1,0,0,0,1|2,0,0]=4 937 B19R2.85617 CCOc1cccc(c1SCc2ncc[nH]2)C=O 62a_100016991755_200011094417 [0,1,0,0,0,1|1,0,1]=4 938 B19R2.85617 CCOc1cccc(c1SCc2ncc[nH]2)C=O 62a_200011094417_100016991755 [0,1,0,0,0,1|1,0,1]=4 939 B19R2.184958 CCc1ccc(c(c1NCC2=NCCN2)CC)Cl 34a_100000211528_100000737910 [0,1,0,0,0,1|0,0,2]=4 940 B19R2.184958 CCc1ccc(c(c1NCC2=NCCN2)CC)Cl 7a_100000211528_100000737910 [0,1,0,0,0,1|0,0,2]=4 941 B19R2.184958 CCc1ccc(c(c1NCc2c[nH]cn2)CC)Cl 2230a_100000211528_100000707719 [0,1,0,0,0,1|2,0,0]=4 942 B19R2.184958 CCc1ccc(c(c1NCc2c[nH]cn2)CC)Cl 34a_100000211528_100000707719 [0,1,0,0,0,1|2,0,0]=4 943 B19R2.184958 CCc1ccc(c(c1NCc2cc[nH]n2)CC)Cl 207a_100000211528_100000738523 [0,1,0,0,0,1|2,0,0]=4 944 B19R2.184958 CCc1ccc(c(c1NCc2ccco2)CC)Cl 207a_100000211528_100000186105 [0,1,0,0,0,1|2,0,0]=4 945 B19R2.184958 CCc1ccc(c(c1NCc2ccco2)CC)Cl 270302a_100000211528_100000186105 [0,1,0,0,0,1|2,0,0]=4 946 B19R2.184958 CCc1ccc(c(c1NCc2cccs2)CC)Cl 207a_100000211528_100000209959 [0,1,0,0,0,1|2,0,0]=4 947 B19R2.184958 CCc1ccc(c(c1NCc2cccs2)CC)Cl 270302a_100000211528_100000209959 [0,1,0,0,0,1|2,0,0]=4 948 B19R2.184958 CCc1ccc(c(c1NCc2ccn[nH]2)CC)Cl 2230a_100000211528_100000728653 [0,1,0,0,0,1|2,0,0]=4 949 B19R2.184958 CCc1ccc(c(c1NCc2ccn[nH]2)CC)Cl 34a_100000211528_100000728653 [0,1,0,0,0,1|2,0,0]=4 950 B19R2.184958 CCc1ccc(c(c1NCc2ccn[nH]2)CC)Cl 7a_100000211528_100000728653 [0,1,0,0,0,1|2,0,0]=4 951 B19R2.184958 CCc1ccc(c(c1NCc2ccon2)CC)Cl 2230a_100000211528_100000234950 [0,1,0,0,0,1|2,0,0]=4 952 B19R2.184958 CCc1ccc(c(c1NCc2ccon2)CC)Cl 34a_100000211528_100000234950 [0,1,0,0,0,1|2,0,0]=4 953 B19R2.184958 CCc1ccc(c(c1NCc2ccon2)CC)Cl 7a_100000211528_100000234950 [0,1,0,0,0,1|2,0,0]=4 954 B19R2.184958 CCc1ccc(c(c1NCc2cnc[nH]2)CC)Cl 207a_100000211528_100000742939 [0,1,0,0,0,1|2,0,0]=4 955 B19R2.184958 CCc1ccc(c(c1NCc2cscn2)CC)Cl 207a_100000211528_100000743575 [0,1,0,0,0,1|2,0,0]=4 956 B19R2.184958 CCc1ccc(c(c1NCc2cscn2)CC)Cl 2230a_100000211528_100000205941 [0,1,0,0,0,1|2,0,0]=4 957 B19R2.184958 CCc1ccc(c(c1NCc2cscn2)CC)Cl 270302a_100000211528_100000743575 [0,1,0,0,0,1|2,0,0]=4 958 B19R2.184958 CCc1ccc(c(c1NCc2cscn2)CC)Cl 34a_100000211528_100000205941 [0,1,0,0,0,1|2,0,0]=4 959 B19R2.184958 CCc1ccc(c(c1NCc2cscn2)CC)Cl 7a_100000211528_100000205941 [0,1,0,0,0,1|2,0,0]=4 960 B19R2.184958 CCc1ccc(c(c1NCc2ncc[nH]2)CC)Cl 207a_100000211528_100000743867 [0,1,0,0,0,1|0,0,0]=2 961 B19R2.184958 CCc1ccc(c(c1NCc2ncc[nH]2)CC)Cl 2230a_100000211528_100016991755 [0,1,0,0,0,1|0,0,0]=2 962 B19R2.184958 CCc1ccc(c(c1NCc2ncc[nH]2)CC)Cl 34a_100000211528_100016991755 [0,1,0,0,0,1|0,0,0]=2 963 B19R2.184958 CCc1ccc(c(c1NCc2ncc[nH]2)CC)Cl 7a_100000211528_100000753453 [0,1,0,0,0,1|0,0,0]=2 964 B19R2.184958 CCc1ccc(c(c1NCc2ncco2)CC)Cl 2230a_100000211528_103436540062 [0,1,0,0,0,1|1,0,0]=3 965 B19R2.184958 CCc1ccc(c(c1NCc2ncco2)CC)Cl 34a_100000211528_103436540062 [0,1,0,0,0,1|1,0,0]=3 966 B19R2.184958 CCc1ccc(c(c1NCc2ncco2)CC)Cl 7a_100000211528_103436540062 [0,1,0,0,0,1|1,0,0]=3 967 B19R2.184958 CCc1ccc(c(c1NCc2nccs2)CC)Cl 207a_100000211528_100000750902 [0,1,0,0,0,1|1,0,0]=3 968 B19R2.184958 CCc1ccc(c(c1NCc2nccs2)CC)Cl 2230a_100000211528_100015184050 [0,1,0,0,0,1|1,0,0]=3 969 B19R2.184958 CCc1ccc(c(c1NCc2nccs2)CC)Cl 270302a_100000211528_100000750902 [0,1,0,0,0,1|1,0,0]=3 970 B19R2.184958 CCc1ccc(c(c1NCc2nccs2)CC)Cl 34a_100000211528_100015184050 [0,1,0,0,0,1|1,0,0]=3 971 B19R2.184958 CCc1ccc(c(c1NCc2nccs2)CC)Cl 7a_100000211528_100015184050 [0,1,0,0,0,1|1,0,0]=3 972 B19R2.184958 CCc1ccc(c(c1NCc2ncon2)CC)Cl 34a_100000211528_100000233494 [0,1,0,0,0,1|1,0,1]=4 973 B19R2.184958 CCc1ccc(c(c1NCc2nnn[nH]2)CC)Cl 34a_100000211528_100000765167 [0,1,0,0,0,1|2,0,0]=4 974 B19R2.184958 CCc1ccc(c(c1NCc2nnn[nH]2)CC)Cl 7a_100000211528_100000765167 [0,1,0,0,0,1|2,0,0]=4 975 B19R2.184958 COc1ccc(c(c1SCc2ncc[nH]2)CO)F 62a_100016991755_200010942130 [0,1,0,0,0,1|2,0,0]=4 976 B19R2.184958 COc1ccc(c(c1SCc2ncc[nH]2)CO)F 62a_200010942130_100016991755 [0,1,0,0,0,1|2,0,0]=4 977 B19R2.184958 COc1ccc(c(c1SCc2ncc[nH]2)SC)F 62a_100016991755_200021624531 [0,1,0,0,0,1|2,0,0]=4 978 B19R2.184958 COc1ccc(c(c1SCc2ncc[nH]2)SC)F 62a_200021624531_100016991755 [0,1,0,0,0,1|2,0,0]=4 979 B19R2.190802 CCc1cccc(c1NCc2[nH]ncc2Br)CC 207a_100000211307_100000732679 [0,1,0,0,0,1|2,0,0]=4 980 B19R2.190802 CCc1cccc(c1NCc2[nH]ncc2C)CC 207a_100000211307_100000708485 [0,1,0,0,0,1|2,0,0]=4 981 B19R2.190802 CCc1cccc(c1NCc2ccnn2C)CC 207a_100000211307_100000737161 [0,1,0,0,0,1|2,0,0]=4 982 B19R2.190802 CCc1cccc(c1NCc2ccnn2C)CC 2230a_100000211307_100000691648 [0,1,0,0,0,1|2,0,0]=4 983 B19R2.190802 CCc1cccc(c1NCc2ccnn2C)CC 270302a_100000211307_100000737161 [0,1,0,0,0,1|2,0,0]=4 984 B19R2.190802 CCc1cccc(c1NCc2ccnn2C)CC 34a_100000211307_100000691648 [0,1,0,0,0,1|2,0,0]=4 985 B19R2.190802 CCc1cccc(c1NCc2ccnn2C)CC 7a_100000211307_100000691648 [0,1,0,0,0,1|2,0,0]=4 986 B19R2.190802 CCc1cccc(c1NCc2cncn2C)CC 207a_100000211307_100000750899 [0,1,0,0,0,1|2,0,0]=4 987 B19R2.190802 CCc1cccc(c1NCc2cncn2C)CC 270302a_100000211307_100000750899 [0,1,0,0,0,1|2,0,0]=4 988 B19R2.190802 CCc1cccc(c1NCc2n[nH]cc2Cl)CC 207a_100000211307_100000040271 [0,1,0,0,0,1|2,0,0]=4 989 B19R2.190802 CCc1cccc(c1NCc2nc[nH]c2C)CC 207a_100000211307_100000032982 [0,1,0,0,0,1|2,0,0]=4 990 B19R2.190802 CCc1cccc(c1NCc2nc[nH]c2C)CC 2230a_100000211307_100000751220 [0,1,0,0,0,1|2,0,0]=4 991 B19R2.190802 CCc1cccc(c1NCc2nccn2C)CC 207a_100000211307_100000748660 [0,1,0,0,0,1|0,0,0]=2 992 B19R2.190802 CCc1cccc(c1NCc2nccn2C)CC 2230a_100000211307_100000700302 [0,1,0,0,0,1|0,0,0]=2 993 B19R2.190802 CCc1cccc(c1NCc2nccn2C)CC 34a_100000211307_100000700302 [0,1,0,0,0,1|0,0,0]=2 994 B19R2.190802 CCc1cccc(c1NCc2nccn2C)CC 7a_100000211307_100000700302 [0,1,0,0,0,1|0,0,0]=2 995 B19R2.190802 CCc1cccc(c1NCc2ncoc2C)CC 2230a_100000211307_200000693990 [0,1,0,0,0,1|2,0,0]=4 996 B19R2.190802 CCc1cccc(c1NCc2ncoc2C)CC 34a_100000211307_200000693990 [0,1,0,0,0,1|2,0,0]=4 997 B19R2.190802 CCc1cccc(c1NCc2ncoc2C)CC 7a_100000211307_200000693990 [0,1,0,0,0,1|2,0,0]=4 998 B19R2.190802 CCc1cccc(c1NCc2occc2C)CC 207a_100000211307_100000763527 [0,1,0,0,0,1|2,0,0]=4 999 B19R2.190802 CCc1cccc(c1NCc2occc2C)CC 270302a_100000211307_100000763527 [0,1,0,0,0,1|2,0,0]=4 1000 B19R2.190802 CCc1cccc(c1NCc2sccc2Br)CC 207a_100000211307_100000766043 [0,1,0,0,0,1|2,0,0]=4 1001 B19R2.190802 CCc1cccc(c1NCc2sccc2Br)CC 270302a_100000211307_100000766043 [0,1,0,0,0,1|2,0,0]=4 1002 B19R2.190802 CCc1cccc(c1NCc2sccc2C)CC 207a_100000211307_100000210881 [0,1,0,0,0,1|2,0,0]=4 1003 B19R2.190802 CCc1cccc(c1NCc2sccc2C)CC 270302a_100000211307_100000210881 [0,1,0,0,0,1|2,0,0]=4 1004 B19R2.190802 CCc1cccc(c1NCc2sccc2Cl)CC 207a_100000211307_100000722334 [0,1,0,0,0,1|2,0,0]=4 1005 B19R2.190802 CCc1cccc(c1NCc2sccc2Cl)CC 270302a_100000211307_100000722334 [0,1,0,0,0,1|2,0,0]=4 1006 B19R2.190802 CCc1cccc(c1OCc2ccnn2C)CC 34a_100000078057_100000691648 [0,1,0,0,0,1|2,0,0]=4 1007 B19R2.190802 CCc1cccc(c1OCc2ccnn2C)CC 7a_100000078057_100000691648 [0,1,0,0,0,1|2,0,0]=4 1008 B19R2.190802 CCc1cccc(c1OCc2nccn2C)CC 34a_100000078057_100000700302 [0,1,0,0,0,1|0,0,0]=2 1009 B19R2.190802 CCc1cccc(c1OCc2nccn2C)CC 7a_100000078057_100000700302 [0,1,0,0,0,1|0,0,0]=2 1010 B19R2.190802 CCc1cccc(c1OCc2ncoc2C)CC 34a_100000078057_200000693990 [0,1,0,0,0,1|2,0,0]=4 1011 B19R2.190802 CCc1cccc(c1OCc2ncoc2C)CC 7a_100000078057_200000693990 [0,1,0,0,0,1|2,0,0]=4 1012 B19R2.190802 CCc1cccc(c1SCc2ccnn2C)CC 62a_100000691648_100010212195 [0,1,0,0,0,1|2,0,0]=4 1013 B19R2.190802 CCc1cccc(c1SCc2ccnn2C)CC 62a_100010212195_100000691648 [0,1,0,0,0,1|2,0,0]=4 1014 B19R2.190802 CCc1cccc(c1SCc2nc[nH]c2C)CC 62a_100000751220_100010212195 [0,1,0,0,0,1|2,0,0]=4 1015 B19R2.190802 CCc1cccc(c1SCc2nc[nH]c2C)CC 62a_100010212195_100000751220 [0,1,0,0,0,1|2,0,0]=4 1016 B19R2.190802 CCc1cccc(c1SCc2nccn2C)CC 62a_100000700302_100010212195 [0,1,0,0,0,1|0,0,0]=2 1017 B19R2.190802 CCc1cccc(c1SCc2nccn2C)CC 62a_100010212195_100000700302 [0,1,0,0,0,1|0,0,0]=2 1018 B19R2.190802 CCc1cccc(c1SCc2ncoc2C)CC 62a_100010212195_200000693990 [0,1,0,0,0,1|2,0,0]=4 1019 B19R2.190802 CCc1cccc(c1SCc2ncoc2C)CC 62a_200000693990_100010212195 [0,1,0,0,0,1|2,0,0]=4 1020 B19R2.190802 COc1cccc(c1NCc2nccn2C)CO 207a_100011999522_100000748660 [0,1,0,0,0,1|2,0,0]=4 1021 B19R2.190802 COc1cccc(c1NCc2nccn2C)CO 34a_100011999522_100000700302 [0,1,0,0,0,1|2,0,0]=4 1022 B19R2.190802 COc1cccc(c1NCc2nccn2C)OC 207a_100011218430_100000748660 [0,1,0,0,0,1|2,0,0]=4 1023 B19R2.190802 COc1cccc(c1NCc2nccn2C)OC 2230a_100011218430_100000700302 [0,1,0,0,0,1|2,0,0]=4 1024 B19R2.190802 COc1cccc(c1NCc2nccn2C)OC 34a_100011218430_100000700302 [0,1,0,0,0,1|2,0,0]=4 1025 B19R2.190802 COc1cccc(c1NCc2nccn2C)SC 207a_200012283368_100000748660 [0,1,0,0,0,1|2,0,0]=4 1026 B19R2.190802 COc1cccc(c1NCc2nccn2C)SC 2230a_200012283368_100000700302 [0,1,0,0,0,1|2,0,0]=4 1027 B19R2.190802 COc1cccc(c1NCc2nccn2C)SC 34a_200012283368_100000700302 [0,1,0,0,0,1|2,0,0]=4 1028 B19R2.190802 COc1cccc(c1OCc2nccn2C)CO 34a_100011218668_100000700302 [0,1,0,0,0,1|2,0,0]=4 1029 B19R2.190802 COc1cccc(c1OCc2nccn2C)OC 34a_100000211025_100000700302 [0,1,0,0,0,1|2,0,0]=4 1030 B19R2.190802 COc1cccc(c1SCc2nccn2C)CO 62a_100000700302_100010236476 [0,1,0,0,0,1|2,0,0]=4 1031 B19R2.190802 COc1cccc(c1SCc2nccn2C)CO 62a_100010236476_100000700302 [0,1,0,0,0,1|2,0,0]=4 1032 B19R2.190802 COc1cccc(c1SCc2nccn2C)OC 62a_100000690108_100000700302 [0,1,0,0,0,1|2,0,0]=4 1033 B19R2.190802 COc1cccc(c1SCc2nccn2C)OC 62a_100000700302_100000690108 [0,1,0,0,0,1|2,0,0]=4 1034 B19R2.191463 CCc1cccc(c1C(=O)Cc2c[nH]cn2)CC 1458a_100000092080_100000707719 [0,1,0,0,0,1|2,0,0]=4 1035 B19R2.191463 CCc1cccc(c1C(=O)Cc2ccn[nH]2)CC 1458a_100000092080_100000728653 [0,1,0,0,0,1|2,0,0]=4 1036 B19R2.191463 CCc1cccc(c1C(=O)Cc2ccon2)CC 1458a_100000092080_100000234950 [0,1,0,0,0,1|2,0,0]=4 1037 B19R2.191463 CCc1cccc(c1C(=O)Cc2cscn2)CC 1458a_100000092080_100000205941 [0,1,0,0,0,1|2,0,0]=4 1038 B19R2.191463 CCc1cccc(c1C(=O)Cc2ncco2)CC 1458a_100000092080_103436540062 [0,1,0,0,0,1|1,0,0]=3 1039 B19R2.191463 CCc1cccc(c1C(=O)Cc2nccs2)CC 1458a_100000092080_100015184050 [0,1,0,0,0,1|1,0,0]=3 1040 B19R2.191463 CCc1cccc(c1C(=O)Cc2nnn[nH]2)CC 1458a_100000092080_100000765167 [0,1,0,0,0,1|2,0,0]=4 1041 B19R2.191538 CCc1cccc(c1NCc2c[nH]c(n2)C)CC 207a_100000211307_100011219055 [0,1,0,0,0,1|2,0,0]=4 1042 B19R2.191538 CCc1cccc(c1NCc2cc(co2)Br)CC 270302a_100000211307_100000747035 [0,1,0,0,0,1|2,0,0]=4 1043 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Br)CC 207a_100000211307_100000211722 [0,1,0,0,0,1|2,0,0]=4 1044 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Br)CC 2230a_100000211307_100000746031 [0,1,0,0,0,1|2,0,0]=4 1045 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Br)CC 270302a_100000211307_100000211722 [0,1,0,0,0,1|2,0,0]=4 1046 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Br)CC 34a_100000211307_100000746031 [0,1,0,0,0,1|2,0,0]=4 1047 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Br)CC 7a_100000211307_100000746031 [0,1,0,0,0,1|2,0,0]=4 1048 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)C)CC 207a_100000211307_100102525248 [0,1,0,0,0,1|2,0,0]=4 1049 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)C)CC 270302a_100000211307_100102525248 [0,1,0,0,0,1|2,0,0]=4 1050 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Cl)CC 207a_100000211307_100000102487 [0,1,0,0,0,1|2,0,0]=4 1051 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)Cl)CC 270302a_100000211307_100000102487 [0,1,0,0,0,1|2,0,0]=4 1052 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)I)CC 207a_100000211307_100010179861 [0,1,0,0,0,1|2,0,0]=4 1053 B19R2.191538 CCc1cccc(c1NCc2cc(cs2)I)CC 270302a_100000211307_100010179861 [0,1,0,0,0,1|2,0,0]=4 1054 B19R2.191538 CCc1cccc(c1NCc2cc(n[nH]2)C)CC 207a_100000211307_100000028150 [0,1,0,0,0,1|2,0,0]=4 1055 B19R2.191538 CCc1cccc(c1NCc2cc(n[nH]2)C)CC 270302a_100000211307_100000028150 [0,1,0,0,0,1|2,0,0]=4 1056 B19R2.191538 CCc1cccc(c1NCc2cc(on2)C)CC 207a_100000211307_100011217994 [0,1,0,0,0,1|2,0,0]=4 1057 B19R2.191538 CCc1cccc(c1NCc2cc(on2)C)CC 2230a_100000211307_100000199038 [0,1,0,0,0,1|2,0,0]=4 1058 B19R2.191538 CCc1cccc(c1NCc2cc(on2)C)CC 34a_100000211307_100000199038 [0,1,0,0,0,1|2,0,0]=4 1059 B19R2.191538 CCc1cccc(c1NCc2cc(on2)C)CC 7a_100000211307_100000199038 [0,1,0,0,0,1|2,0,0]=4 1060 B19R2.191538 CCc1cccc(c1NCc2cc(sn2)C)CC 207a_100000211307_200000100279 [0,1,0,0,0,1|2,0,0]=4 1061 B19R2.191538 CCc1cccc(c1NCc2cc(sn2)C)CC 270302a_100000211307_200000100279 [0,1,0,0,0,1|2,0,0]=4 1062 B19R2.191538 CCc1cccc(c1NCc2ccc(o2)Br)CC 207a_100000211307_100000185145 [0,1,0,0,0,1|2,0,0]=4 1063 B19R2.191538 CCc1cccc(c1NCc2ccc(o2)C)CC 207a_100000211307_100000183696 [0,1,0,0,0,1|2,0,0]=4 1064 B19R2.191538 CCc1cccc(c1NCc2ccc(o2)C)CC 270302a_100000211307_100000183696 [0,1,0,0,0,1|2,0,0]=4 1065 B19R2.191538 CCc1cccc(c1NCc2ccc(o2)Cl)CC 207a_100000211307_100000188459 [0,1,0,0,0,1|2,0,0]=4 1066 B19R2.191538 CCc1cccc(c1NCc2ccc(o2)I)CC 207a_100000211307_100000186757 [0,1,0,0,0,1|2,0,0]=4 1067 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Br)CC 207a_100000211307_100000179771 [0,1,0,0,0,1|2,0,0]=4 1068 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Br)CC 2230a_100000211307_100000708592 [0,1,0,0,0,1|2,0,0]=4 1069 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Br)CC 270302a_100000211307_100000179771 [0,1,0,0,0,1|2,0,0]=4 1070 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Br)CC 34a_100000211307_100000708592 [0,1,0,0,0,1|2,0,0]=4 1071 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Br)CC 7a_100000211307_100000708592 [0,1,0,0,0,1|2,0,0]=4 1072 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)C)CC 207a_100000211307_100000211121 [0,1,0,0,0,1|2,0,0]=4 1073 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)C)CC 270302a_100000211307_100000211121 [0,1,0,0,0,1|2,0,0]=4 1074 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Cl)CC 207a_100000211307_100000242774 [0,1,0,0,0,1|2,0,0]=4 1075 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Cl)CC 2230a_100000211307_100000185097 [0,1,0,0,0,1|2,0,0]=4 1076 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Cl)CC 270302a_100000211307_100000242774 [0,1,0,0,0,1|2,0,0]=4 1077 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Cl)CC 34a_100000211307_100000185097 [0,1,0,0,0,1|2,0,0]=4 1078 B19R2.191538 CCc1cccc(c1NCc2ccc(s2)Cl)CC 7a_100000211307_100000185097 [0,1,0,0,0,1|2,0,0]=4 1079 B19R2.191538 CCc1cccc(c1NCc2ccn(n2)C)CC 207a_100000211307_100000750880 [0,1,0,0,0,1|2,0,0]=4 1080 B19R2.191538 CCc1cccc(c1NCc2ccn(n2)C)CC 2230a_100000211307_100000726502 [0,1,0,0,0,1|2,0,0]=4 1081 B19R2.191538 CCc1cccc(c1NCc2ccn(n2)C)CC 270302a_100000211307_100000750880 [0,1,0,0,0,1|2,0,0]=4 1082 B19R2.191538 CCc1cccc(c1NCc2ccn(n2)C)CC 34a_100000211307_100000726502 [0,1,0,0,0,1|2,0,0]=4 1083 B19R2.191538 CCc1cccc(c1NCc2ccn(n2)C)CC 7a_100000211307_100000726502 [0,1,0,0,0,1|2,0,0]=4 1084 B19R2.191538 CCc1cccc(c1NCc2cn(cn2)C)CC 207a_100000211307_100000684808 [0,1,0,0,0,1|2,0,0]=4 1085 B19R2.191538 CCc1cccc(c1NCc2cn(cn2)C)CC 2230a_100000211307_100000717665 [0,1,0,0,0,1|2,0,0]=4 1086 B19R2.191538 CCc1cccc(c1NCc2cn(cn2)C)CC 34a_100000211307_100000717665 [0,1,0,0,0,1|2,0,0]=4 1087 B19R2.191538 CCc1cccc(c1NCc2cn(cn2)C)CC 7a_100000211307_100000717665 [0,1,0,0,0,1|2,0,0]=4 1088 B19R2.191538 CCc1cccc(c1NCc2coc(n2)C)CC 207a_100000211307_100011361629 [0,1,0,0,0,1|2,0,0]=4 1089 B19R2.191538 CCc1cccc(c1NCc2csc(n2)C)CC 207a_100000211307_100000203724 [0,1,0,0,0,1|2,0,0]=4 1090 B19R2.191538 CCc1cccc(c1NCc2csc(n2)C)CC 2230a_100000211307_100015186478 [0,1,0,0,0,1|2,0,0]=4 1091 B19R2.191538 CCc1cccc(c1NCc2csc(n2)C)CC 270302a_100000211307_100000203724 [0,1,0,0,0,1|2,0,0]=4 1092 B19R2.191538 CCc1cccc(c1NCc2csc(n2)C)CC 34a_100000211307_100015186478 [0,1,0,0,0,1|2,0,0]=4 1093 B19R2.191538 CCc1cccc(c1NCc2csc(n2)C)CC 7a_100000211307_100015186478 [0,1,0,0,0,1|2,0,0]=4 1094 B19R2.191538 CCc1cccc(c1NCc2csc(n2)Cl)CC 2230a_100000211307_100000024076 [0,1,0,0,0,1|2,0,0]=4 1095 B19R2.191538 CCc1cccc(c1NCc2csc(n2)Cl)CC 34a_100000211307_100000024076 [0,1,0,0,0,1|2,0,0]=4 1096 B19R2.191538 CCc1cccc(c1NCc2csc(n2)Cl)CC 7a_100000211307_100000024076 [0,1,0,0,0,1|2,0,0]=4 1097 B19R2.191538 CCc1cccc(c1NCc2n[nH]c(=O)[nH]2)CC 2230a_100000211307_100000754189 [0,1,0,0,0,1|1,0,0]=3 1098 B19R2.191538 CCc1cccc(c1NCc2n[nH]c(=O)[nH]2)CC 7a_100000211307_100000754189 [0,1,0,0,0,1|1,0,0]=3 1099 B19R2.191538 CCc1cccc(c1NCc2nc(c[nH]2)C)CC 207a_100000211307_100000082322 [0,1,0,0,0,1|0,0,0]=2 1100 B19R2.191538 CCc1cccc(c1NCc2nc(cs2)C)CC 207a_100000211307_100000756994 [0,1,0,0,0,1|1,0,0]=3 1101 B19R2.191538 CCc1cccc(c1NCc2nc(no2)C)CC 2230a_100000211307_100000735555 [0,1,0,0,0,1|2,0,0]=4 1102 B19R2.191538 CCc1cccc(c1NCc2nc(no2)C)CC 34a_100000211307_100000735555 [0,1,0,0,0,1|2,0,0]=4 1103 B19R2.191538 CCc1cccc(c1NCc2nc(no2)C)CC 7a_100000211307_100000735555 [0,1,0,0,0,1|2,0,0]=4 1104 B19R2.191538 CCc1cccc(c1NCc2ncc(s2)Br)CC 270302a_100000211307_100000699580 [0,1,0,0,0,1|1,0,0]=3 1105 B19R2.191538 CCc1cccc(c1NCc2ncc(s2)C)CC 207a_100000211307_100011361622 [0,1,0,0,0,1|1,0,0]=3 1106 B19R2.191538 CCc1cccc(c1NCc2ncc(s2)C)CC 270302a_100000211307_100011361622 [0,1,0,0,0,1|1,0,0]=3 1107 B19R2.191538 CCc1cccc(c1NCc2ncc(s2)Cl)CC 270302a_100000211307_100000699884 [0,1,0,0,0,1|1,0,0]=3 1108 B19R2.191538 CCc1cccc(c1NCc2ncn(n2)C)CC 207a_100000211307_100010630104 [0,1,0,0,0,1|1,0,1]=4 1109 B19R2.191538 CCc1cccc(c1NCc2ncn(n2)C)CC 2230a_100000211307_100016995526 [0,1,0,0,0,1|1,0,1]=4 1110 B19R2.191538 CCc1cccc(c1NCc2ncn(n2)C)CC 34a_100000211307_100016995526 [0,1,0,0,0,1|1,0,1]=4 1111 B19R2.191538 CCc1cccc(c1NCc2ncn(n2)C)CC 7a_100000211307_100016995526 [0,1,0,0,0,1|1,0,1]=4 1112 B19R2.191538 CCc1cccc(c1NCc2nnc(o2)C)CC 2230a_100000211307_100000181450 [0,1,0,0,0,1|2,0,0]=4 1113 B19R2.191538 CCc1cccc(c1NCc2nnc(o2)C)CC 7a_100000211307_100000181450 [0,1,0,0,0,1|2,0,0]=4 1114 B19R2.191538 CCc1cccc(c1NCc2nnc(s2)C)CC 2230a_100000211307_100000688753 [0,1,0,0,0,1|2,0,0]=4 1115 B19R2.191538 CCc1cccc(c1NCc2nnc(s2)C)CC 34a_100000211307_100000688753 [0,1,0,0,0,1|2,0,0]=4 1116 B19R2.191538 CCc1cccc(c1NCc2nnc(s2)C)CC 7a_100000211307_100000688753 [0,1,0,0,0,1|2,0,0]=4 1117 B19R2.191538 CCc1cccc(c1NCc2noc(n2)C)CC 2230a_100000211307_100000231061 [0,1,0,0,0,1|1,0,1]=4 1118 B19R2.191538 CCc1cccc(c1NCc2noc(n2)C)CC 34a_100000211307_100000231061 [0,1,0,0,0,1|1,0,1]=4 1119 B19R2.191538 CCc1cccc(c1NCc2noc(n2)C)CC 7a_100000211307_100000231061 [0,1,0,0,0,1|1,0,1]=4 1120 B19R2.191538 CCc1cccc(c1NCc2nsc(n2)Cl)CC 2230a_100000211307_100000043760 [0,1,0,0,0,1|1,0,1]=4 1121 B19R2.191538 CCc1cccc(c1NCc2nsc(n2)Cl)CC 34a_100000211307_100000043760 [0,1,0,0,0,1|1,0,1]=4 1122 B19R2.191538 CCc1cccc(c1OCc2cc(cs2)Br)CC 34a_100000078057_100000746031 [0,1,0,0,0,1|2,0,0]=4 1123 B19R2.191538 CCc1cccc(c1OCc2cc(cs2)Br)CC 7a_100000078057_100000746031 [0,1,0,0,0,1|2,0,0]=4 1124 B19R2.191538 CCc1cccc(c1OCc2cc(on2)C)CC 34a_100000078057_100000199038 [0,1,0,0,0,1|2,0,0]=4 1125 B19R2.191538 CCc1cccc(c1OCc2cc(on2)C)CC 7a_100000078057_100000199038 [0,1,0,0,0,1|2,0,0]=4 1126 B19R2.191538 CCc1cccc(c1OCc2ccc(s2)Br)CC 34a_100000078057_100000708592 [0,1,0,0,0,1|2,0,0]=4 1127 B19R2.191538 CCc1cccc(c1OCc2ccc(s2)Br)CC 7a_100000078057_100000708592 [0,1,0,0,0,1|2,0,0]=4 1128 B19R2.191538 CCc1cccc(c1OCc2ccc(s2)Cl)CC 34a_100000078057_100000185097 [0,1,0,0,0,1|2,0,0]=4 1129 B19R2.191538 CCc1cccc(c1OCc2ccc(s2)Cl)CC 7a_100000078057_100000185097 [0,1,0,0,0,1|2,0,0]=4 1130 B19R2.191538 CCc1cccc(c1OCc2ccn(n2)C)CC 34a_100000078057_100000726502 [0,1,0,0,0,1|2,0,0]=4 1131 B19R2.191538 CCc1cccc(c1OCc2ccn(n2)C)CC 7a_100000078057_100000726502 [0,1,0,0,0,1|2,0,0]=4 1132 B19R2.191538 CCc1cccc(c1OCc2cn(cn2)C)CC 34a_100000078057_100000717665 [0,1,0,0,0,1|2,0,0]=4 1133 B19R2.191538 CCc1cccc(c1OCc2cn(cn2)C)CC 7a_100000078057_100000717665 [0,1,0,0,0,1|2,0,0]=4 1134 B19R2.191538 CCc1cccc(c1OCc2csc(n2)C)CC 34a_100000078057_100015186478 [0,1,0,0,0,1|2,0,0]=4 1135 B19R2.191538 CCc1cccc(c1OCc2csc(n2)C)CC 7a_100000078057_100015186478 [0,1,0,0,0,1|2,0,0]=4 1136 B19R2.191538 CCc1cccc(c1OCc2csc(n2)Cl)CC 34a_100000078057_100000024076 [0,1,0,0,0,1|2,0,0]=4 1137 B19R2.191538 CCc1cccc(c1OCc2csc(n2)Cl)CC 7a_100000078057_100000024076 [0,1,0,0,0,1|2,0,0]=4 1138 B19R2.191538 CCc1cccc(c1OCc2n[nH]c(=O)[nH]2)CC 7a_100000078057_100000754189 [0,1,0,0,0,1|1,0,0]=3 1139 B19R2.191538 CCc1cccc(c1OCc2nc(no2)C)CC 34a_100000078057_100000735555 [0,1,0,0,0,1|2,0,0]=4 1140 B19R2.191538 CCc1cccc(c1OCc2nc(no2)C)CC 7a_100000078057_100000735555 [0,1,0,0,0,1|2,0,0]=4 1141 B19R2.191538 CCc1cccc(c1OCc2ncn(n2)C)CC 34a_100000078057_100016995526 [0,1,0,0,0,1|1,0,1]=4 1142 B19R2.191538 CCc1cccc(c1OCc2ncn(n2)C)CC 7a_100000078057_100016995526 [0,1,0,0,0,1|1,0,1]=4 1143 B19R2.191538 CCc1cccc(c1OCc2nnc(o2)C)CC 7a_100000078057_100000181450 [0,1,0,0,0,1|2,0,0]=4 1144 B19R2.191538 CCc1cccc(c1OCc2nnc(s2)C)CC 34a_100000078057_100000688753 [0,1,0,0,0,1|2,0,0]=4 1145 B19R2.191538 CCc1cccc(c1OCc2nnc(s2)C)CC 7a_100000078057_100000688753 [0,1,0,0,0,1|2,0,0]=4 1146 B19R2.191538 CCc1cccc(c1OCc2noc(n2)C)CC 34a_100000078057_100000231061 [0,1,0,0,0,1|1,0,1]=4 1147 B19R2.191538 CCc1cccc(c1OCc2noc(n2)C)CC 7a_100000078057_100000231061 [0,1,0,0,0,1|1,0,1]=4 1148 B19R2.191538 CCc1cccc(c1OCc2nsc(n2)Cl)CC 34a_100000078057_100000043760 [0,1,0,0,0,1|1,0,1]=4 1149 B19R2.191538 CCc1cccc(c1SCc2cc(cs2)Br)CC 62a_100000746031_100010212195 [0,1,0,0,0,1|2,0,0]=4 1150 B19R2.191538 CCc1cccc(c1SCc2cc(cs2)Br)CC 62a_100010212195_100000746031 [0,1,0,0,0,1|2,0,0]=4 1151 B19R2.191538 CCc1cccc(c1SCc2cc(on2)C)CC 62a_100000199038_100010212195 [0,1,0,0,0,1|2,0,0]=4 1152 B19R2.191538 CCc1cccc(c1SCc2cc(on2)C)CC 62a_100010212195_100000199038 [0,1,0,0,0,1|2,0,0]=4 1153 B19R2.191538 CCc1cccc(c1SCc2ccc(s2)Br)CC 62a_100000708592_100010212195 [0,1,0,0,0,1|2,0,0]=4 1154 B19R2.191538 CCc1cccc(c1SCc2ccc(s2)Br)CC 62a_100010212195_100000708592 [0,1,0,0,0,1|2,0,0]=4 1155 B19R2.191538 CCc1cccc(c1SCc2ccc(s2)Cl)CC 62a_100000185097_100010212195 [0,1,0,0,0,1|2,0,0]=4 1156 B19R2.191538 CCc1cccc(c1SCc2ccc(s2)Cl)CC 62a_100010212195_100000185097 [0,1,0,0,0,1|2,0,0]=4 1157 B19R2.191538 CCc1cccc(c1SCc2ccn(n2)C)CC 62a_100000726502_100010212195 [0,1,0,0,0,1|2,0,0]=4 1158 B19R2.191538 CCc1cccc(c1SCc2ccn(n2)C)CC 62a_100010212195_100000726502 [0,1,0,0,0,1|2,0,0]=4 1159 B19R2.191538 CCc1cccc(c1SCc2cn(cn2)C)CC 62a_100000717665_100010212195 [0,1,0,0,0,1|2,0,0]=4 1160 B19R2.191538 CCc1cccc(c1SCc2cn(cn2)C)CC 62a_100010212195_100000717665 [0,1,0,0,0,1|2,0,0]=4 1161 B19R2.191538 CCc1cccc(c1SCc2csc(n2)C)CC 62a_100010212195_100015186478 [0,1,0,0,0,1|2,0,0]=4 1162 B19R2.191538 CCc1cccc(c1SCc2csc(n2)C)CC 62a_100015186478_100010212195 [0,1,0,0,0,1|2,0,0]=4 1163 B19R2.191538 CCc1cccc(c1SCc2csc(n2)Cl)CC 62a_100000024076_100010212195 [0,1,0,0,0,1|2,0,0]=4 1164 B19R2.191538 CCc1cccc(c1SCc2csc(n2)Cl)CC 62a_100010212195_100000024076 [0,1,0,0,0,1|2,0,0]=4 1165 B19R2.191538 CCc1cccc(c1SCc2n[nH]c(=O)[nH]2)CC 62a_100010212195_100000754189 [0,1,0,0,0,1|1,0,0]=3 1166 B19R2.191538 CCc1cccc(c1SCc2nc(no2)C)CC 62a_100000735555_100010212195 [0,1,0,0,0,1|2,0,0]=4 1167 B19R2.191538 CCc1cccc(c1SCc2nc(no2)C)CC 62a_100010212195_100000735555 [0,1,0,0,0,1|2,0,0]=4 1168 B19R2.191538 CCc1cccc(c1SCc2ncn(n2)C)CC 62a_100010212195_100016995526 [0,1,0,0,0,1|1,0,1]=4 1169 B19R2.191538 CCc1cccc(c1SCc2ncn(n2)C)CC 62a_100016995526_100010212195 [0,1,0,0,0,1|1,0,1]=4 1170 B19R2.191538 CCc1cccc(c1SCc2nnc(o2)C)CC 62a_100000181450_100010212195 [0,1,0,0,0,1|2,0,0]=4 1171 B19R2.191538 CCc1cccc(c1SCc2nnc(o2)C)CC 62a_100010212195_100000181450 [0,1,0,0,0,1|2,0,0]=4 1172 B19R2.191538 CCc1cccc(c1SCc2nnc(s2)C)CC 62a_100000688753_100010212195 [0,1,0,0,0,1|2,0,0]=4 1173 B19R2.191538 CCc1cccc(c1SCc2nnc(s2)C)CC 62a_100010212195_100000688753 [0,1,0,0,0,1|2,0,0]=4 1174 B19R2.191538 CCc1cccc(c1SCc2noc(n2)C)CC 62a_100000231061_100010212195 [0,1,0,0,0,1|1,0,1]=4 1175 B19R2.191538 CCc1cccc(c1SCc2noc(n2)C)CC 62a_100010212195_100000231061 [0,1,0,0,0,1|1,0,1]=4 1176 B19R2.191538 CCc1cccc(c1SCc2nsc(n2)Cl)CC 62a_100000043760_100010212195 [0,1,0,0,0,1|1,0,1]=4 1177 B19R2.191538 CCc1cccc(c1SCc2nsc(n2)Cl)CC 62a_100010212195_100000043760 [0,1,0,0,0,1|1,0,1]=4 1178 B19R2.191538 COc1cccc(c1NCc2nc(c[nH]2)C)CO 207a_100011999522_100000082322 [0,1,0,0,0,1|2,0,0]=4 1179 B19R2.191538 COc1cccc(c1NCc2nc(c[nH]2)C)OC 207a_100011218430_100000082322 [0,1,0,0,0,1|2,0,0]=4 1180 B19R2.191538 COc1cccc(c1NCc2nc(c[nH]2)C)SC 207a_200012283368_100000082322 [0,1,0,0,0,1|2,0,0]=4 1181 B19R2.7864 CCc1cc(cc(c1Nc2ncnn2C)CC)Br 27a_100011216614_100000732653 [0,2,0,0,0,0|2,0,0]=4 1182 B19R2.7864 CCc1cc(cc(c1Nc2ncnn2C)CC)C 27a_100000061337_100000732653 [0,2,0,0,0,0|2,0,0]=4 1183 B19R2.7864 CCc1cc(cc(c1Sc2nccn2C)CC)Br 62a_100000707724_100010205833 [0,2,0,0,0,0|1,0,0]=3 1184 B19R2.7864 CCc1cc(cc(c1Sc2nccn2C)CC)Br 62a_100010205833_100000707724 [0,2,0,0,0,0|1,0,0]=3 1185 B19R2.7864 CCc1cc(cc(c1Sc2nccn2C)CC)C 62a_100000707724_100010203090 [0,2,0,0,0,0|1,0,0]=3 1186 B19R2.7864 CCc1cc(cc(c1Sc2nccn2C)CC)C 62a_100010203090_100000707724 [0,2,0,0,0,0|1,0,0]=3 1187 B19R2.7864 CCc1cc(cc(c1Sc2ncnn2C)CC)Br 62a_100000732653_100010205833 [0,2,0,0,0,0|2,0,0]=4 1188 B19R2.7864 CCc1cc(cc(c1Sc2ncnn2C)CC)Br 62a_100010205833_100000732653 [0,2,0,0,0,0|2,0,0]=4 1189 B19R2.7864 CCc1cc(cc(c1Sc2ncnn2C)CC)C 62a_100000732653_100010203090 [0,2,0,0,0,0|2,0,0]=4 1190 B19R2.7864 CCc1cc(cc(c1Sc2ncnn2C)CC)C 62a_100010203090_100000732653 [0,2,0,0,0,0|2,0,0]=4 1191 B19R2.7880 CCc1cc(cc(c1Sc2nc(c[nH]2)C)CC)Br 62a_100010205833_100161115468 [0,2,0,0,0,0|1,0,0]=3 1192 B19R2.7880 CCc1cc(cc(c1Sc2nc(c[nH]2)C)CC)Br 62a_100161115468_100010205833 [0,2,0,0,0,0|1,0,0]=3 1193 B19R2.7880 CCc1cc(cc(c1Sc2nc(c[nH]2)C)CC)C 62a_100010203090_100161115468 [0,2,0,0,0,0|1,0,0]=3 1194 B19R2.7880 CCc1cc(cc(c1Sc2nc(c[nH]2)C)CC)C 62a_100161115468_100010203090 [0,2,0,0,0,0|1,0,0]=3 1195 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)Br)CC)Br 62a_100010205833_200016082925 [0,2,0,0,0,0|2,0,0]=4 1196 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)Br)CC)Br 62a_200016082925_100010205833 [0,2,0,0,0,0|2,0,0]=4 1197 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)Br)CC)C 62a_100010203090_200016082925 [0,2,0,0,0,0|2,0,0]=4 1198 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)Br)CC)C 62a_200016082925_100010203090 [0,2,0,0,0,0|2,0,0]=4 1199 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)C)CC)Br 62a_100010205833_100011291629 [0,2,0,0,0,0|2,0,0]=4 1200 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)C)CC)Br 62a_100011291629_100010205833 [0,2,0,0,0,0|2,0,0]=4 1201 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)C)CC)C 62a_100010203090_100011291629 [0,2,0,0,0,0|2,0,0]=4 1202 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)C)CC)C 62a_100011291629_100010203090 [0,2,0,0,0,0|2,0,0]=4 1203 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)N)CC)Br 62a_100010205833_200015188442 [0,2,0,0,0,0|2,0,0]=4 1204 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)N)CC)Br 62a_200015188442_100010205833 [0,2,0,0,0,0|2,0,0]=4 1205 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)N)CC)C 62a_100010203090_200015188442 [0,2,0,0,0,0|2,0,0]=4 1206 B19R2.7880 CCc1cc(cc(c1Sc2nc(cs2)N)CC)C 62a_200015188442_100010203090 [0,2,0,0,0,0|2,0,0]=4 1207 B19R2.7880 CCc1cc(cc(c1Sc2ncc(s2)C)CC)Br 62a_100000690809_100010205833 [0,2,0,0,0,0|2,0,0]=4 1208 B19R2.7880 CCc1cc(cc(c1Sc2ncc(s2)C)CC)Br 62a_100010205833_100000690809 [0,2,0,0,0,0|2,0,0]=4 1209 B19R2.7880 CCc1cc(cc(c1Sc2ncc(s2)C)CC)C 62a_100000690809_100010203090 [0,2,0,0,0,0|2,0,0]=4 1210 B19R2.7880 CCc1cc(cc(c1Sc2ncc(s2)C)CC)C 62a_100010203090_100000690809 [0,2,0,0,0,0|2,0,0]=4 1211 B19R2.190873 CCc1cccc(c1Sc2ncc[nH]2)C(=O)OC 62a_100025796157_200009992460 [0,2,0,0,0,0|1,0,1]=4 1212 B19R2.190873 CCc1cccc(c1Sc2ncc[nH]2)C(=O)OC 62a_200009992460_100025796157 [0,2,0,0,0,0|1,0,1]=4 1213 B19R2.195338 CCc1ccc(c(c1Nc2ncnn2C)CC)Cl 27a_100000211528_100000732653 [0,2,0,0,0,0|2,0,0]=4 1214 B19R2.22936 CCc1cccc(c1Nc2nc(cs2)C#N)CC 27a_100000211307_100009819631 [0,2,0,0,0,0|2,0,0]=4 1215 B19R2.22936 CCc1cccc(c1Nc2nc(n[nH]2)C#N)CC 27a_100000211307_200010752602 [0,2,0,0,0,0|2,0,0]=4 1216 B19R2.22936 CCc1cccc(c1Nc2ncc(s2)C#N)CC 27a_100000211307_100009819632 [0,2,0,0,0,0|2,0,0]=4 1217 B19R2.22936 CCc1cccc(c1Nc2ncc(s2)C=O)CC 27a_100000211307_100009814069 [0,2,0,0,0,0|2,0,0]=4 1218 B19R2.22936 CCc1cccc(c1Sc2cc(c[nH]2)C=O)CC 62a_100009882863_100010212195 [0,2,0,0,0,0|2,0,0]=4 1219 B19R2.22936 CCc1cccc(c1Sc2cc(c[nH]2)C=O)CC 62a_100010212195_100009882863 [0,2,0,0,0,0|2,0,0]=4 1220 B19R2.22936 CCc1cccc(c1Sc2ccc([nH]2)C=O)CC 62a_100010212195_100009875417 [0,2,0,0,0,0|2,0,0]=4 1221 B19R2.22936 CCc1cccc(c1Sc2nc(cs2)C#N)CC 62a_100010212195_100009819631 [0,2,0,0,0,0|2,0,0]=4 1222 B19R2.22936 CCc1cccc(c1Sc2nc(cs2)C=O)CC 62a_100009816748_100010212195 [0,2,0,0,0,0|2,0,0]=4 1223 B19R2.22936 CCc1cccc(c1Sc2nc(cs2)C=O)CC 62a_100010212195_100009816748 [0,2,0,0,0,0|2,0,0]=4 1224 B19R2.22936 CCc1cccc(c1Sc2nc(cs2)CO)CC 62a_100009816749_100010212195 [0,2,0,0,0,0|2,0,0]=4 1225 B19R2.22936 CCc1cccc(c1Sc2nc(cs2)CO)CC 62a_100010212195_100009816749 [0,2,0,0,0,0|2,0,0]=4 1226 B19R2.22936 CCc1cccc(c1Sc2nc(n[nH]2)C#N)CC 62a_100010212195_200010752602 [0,2,0,0,0,0|2,0,0]=4 1227 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)C#N)CC 62a_100010212195_100009819632 [0,2,0,0,0,0|2,0,0]=4 1228 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)C=O)CC 62a_100009814069_100010212195 [0,2,0,0,0,0|2,0,0]=4 1229 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)C=O)CC 62a_100010212195_100009814069 [0,2,0,0,0,0|2,0,0]=4 1230 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)CN)CC 62a_100000726991_100010212195 [0,2,0,0,0,0|2,0,0]=4 1231 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)CN)CC 62a_100010212195_100000726991 [0,2,0,0,0,0|2,0,0]=4 1232 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)CO)CC 62a_100009816753_100010212195 [0,2,0,0,0,0|2,0,0]=4 1233 B19R2.22936 CCc1cccc(c1Sc2ncc(s2)CO)CC 62a_100010212195_100009816753 [0,2,0,0,0,0|2,0,0]=4 1234 B19R2.190891 CCc1cccc(c1Sc2nc(cn2C)C)CC 62a_100009816808_100010212195 [0,2,0,0,0,0|1,0,0]=3 1235 B19R2.190891 CCc1cccc(c1Sc2nc(cn2C)C)CC 62a_100010212195_100009816808 [0,2,0,0,0,0|1,0,0]=3 1236 B19R2.1466329 CCc1cccc(c1Nc2nc(c(s2)C)C)CC 27a_100000211307_100000765934 [0,2,0,0,0,0|2,0,0]=4 1237 B19R2.1466329 CCc1cccc(c1Sc2nc(c(s2)C)C)CC 62a_100000765934_100010212195 [0,2,0,0,0,0|2,0,0]=4 1238 B19R2.1466329 CCc1cccc(c1Sc2nc(c(s2)C)C)CC 62a_100010212195_100000765934 [0,2,0,0,0,0|2,0,0]=4 1239 B19R2.1607589 CCc1cccc(c1Sc2ncc(n2C)C)CC 62a_100009816807_100010212195 [0,2,0,0,0,0|1,0,0]=3 1240 B19R2.1607589 CCc1cccc(c1Sc2ncc(n2C)C)CC 62a_100010212195_100009816807 [0,2,0,0,0,0|1,0,0]=3 1241 B19R2.1013892 CC(C)c1cccc(c1Sc2ncc[nH]2)C(C)C 62a_100009817198_100025796157 [0,2,0,0,0,0|1,0,0]=3 1242 B19R2.1013892 CC(C)c1cccc(c1Sc2ncc[nH]2)C(C)C 62a_100025796157_100009817198 [0,2,0,0,0,0|1,0,0]=3 1243 B19R2.1013892 CC(C)c1cccc(c1Sc2ncco2)C(C)C 62a_100009817198_100011787736 [0,2,0,0,0,0|2,0,0]=4 1244 B19R2.1013892 CC(C)c1cccc(c1Sc2ncco2)C(C)C 62a_100011787736_100009817198 [0,2,0,0,0,0|2,0,0]=4 1245 B19R2.1013892 CC(C)c1cccc(c1Sc2nccs2)C(C)C 62a_100000211983_100009817198 [0,2,0,0,0,0|2,0,0]=4 1246 B19R2.1013892 CC(C)c1cccc(c1Sc2nccs2)C(C)C 62a_100009817198_100000211983 [0,2,0,0,0,0|2,0,0]=4 1247 B19R2.175670 CCc1cccc(c1Nc2ncnn2CC)CC 27a_100000211307_100009879425 [0,2,0,0,0,0|2,0,0]=4 1248 B19R2.175670 CCc1cccc(c1Sc2nccn2CC)CC 62a_100010212195_100011617267 [0,2,0,0,0,0|1,0,0]=3 1249 B19R2.175670 CCc1cccc(c1Sc2nccn2CC)CC 62a_100011617267_100010212195 [0,2,0,0,0,0|1,0,0]=3 1250 B19R2.175670 CCc1cccc(c1Sc2ncnn2CC)CC 62a_100009879425_100010212195 [0,2,0,0,0,0|2,0,0]=4 1251 B19R2.175670 CCc1cccc(c1Sc2ncnn2CC)CC 62a_100010212195_100009879425 [0,2,0,0,0,0|2,0,0]=4 1252 B17R2.1839 CCc1cccc(c1c2ccccn2)CC 271570a_100011264011_100010212195 [0,0,1,1,0,0|1,0,1]=4 1253 B17R2.1839 CCc1cccc(c1c2cccnc2)CC 271570a_100000757648_100010212195 [0,0,1,1,0,0|1,0,1]=4 1254 B17R2.1839 CCc1cccc(c1c2cnccn2)CC 271570a_100011962566_100010212195 [0,0,1,1,0,0|0,0,2]=4 1255 B15R1.10623 C=CCC(=O)c1c(cccc1CC)CC 1458a_100000092080_100000210623 [0,0,1,0,1,0|2,0,0]=4 1256 B15R2.2493 CCc1cccc(c1c2cc[nH]n2)C 271570a_100000062414_100000036235 [1,0,0,0,1,0|2,0,0]=4 1257 B15R2.2493 CCc1cccc(c1c2ccco2)C 271570a_100000750936_100000036235 [1,0,0,0,1,0|2,0,0]=4 1258 B15R2.2493 CCc1cccc(c1c2cccs2)C 271570a_100000742291_100000036235 [1,0,0,0,1,0|2,0,0]=4 1259 B15R2.2493 CCc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000036235 [1,0,0,0,1,0|0,0,0]=2 1260 B15R2.2493 COc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010131421 [1,0,0,0,1,0|2,0,0]=4 1261 B15R2.2493 COc1cccc(c1c2ncc[nH]2)Cl 271570a_100000049456_100025796157 [1,0,0,0,1,0|2,0,0]=4 1262 B15R2.2493 COc1cccc(c1c2ncc[nH]2)F 271570a_100010082979_100025796157 [1,0,0,0,1,0|2,0,0]=4 1263 B15R2.2493 COc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100000041735 [1,0,0,0,1,0|2,0,0]=4 1264 B15R2.2493 COc1cccc(c1c2ncc[nH]2)N 271570a_100016988920_100000703447 [1,0,0,0,1,0|2,0,0]=4 1265 B15R2.2493 COc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100010202623 [1,0,0,0,1,0|2,0,0]=4 1266 B15R2.2493 COc1nccc(c1c2ncc[nH]2)C 271570a_100010082537_100025796157 [1,0,0,0,1,0|2,0,0]=4 1267 B15R2.2493 COc1nccc(c1c2ncc[nH]2)C 271570a_100016988920_100012353928 [1,0,0,0,1,0|2,0,0]=4 1268 B15R2.2493 Cc1cccc(c1c2ncc[nH]2)C#N 271570a_100016988920_100011934862 [1,0,0,0,1,0|1,0,1]=4 1269 B15R2.2493 Cc1cccc(c1c2ncc[nH]2)CO 271570a_100016988920_100011659289 [1,0,0,0,1,0|1,0,0]=3 1270 B15R2.2493 OCc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010146604 [1,0,0,0,1,0|2,0,0]=4 1271 B15R2.2493 OCc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100000692438 [1,0,0,0,1,0|2,0,0]=4 1272 B17R2.1791 CCc1cccc(c1Nc2cccnn2)C 27a_100000210048_100016991348 [1,0,0,0,0,1|2,0,0]=4 1273 B17R2.1791 CCc1cccc(c1Nc2ccncn2)C 27a_100000210048_100000703185 [1,0,0,0,0,1|2,0,0]=4 1274 B17R2.1791 CCc1cccc(c1Nc2cnccn2)C 27a_100000210048_100000211759 [1,0,0,0,0,1|1,0,1]=4 1275 B17R2.1791 CCc1cccc(c1Nc2ncccn2)C 27a_100000210048_100000211032 [1,0,0,0,0,1|1,0,1]=4 1276 B17R2.1791 CCc1cccc(c1Sc2ccccn2)C 62a_100000036235_100011216584 [1,0,0,0,0,1|2,0,0]=4 1277 B17R2.1791 CCc1cccc(c1Sc2ccccn2)C 62a_100011216584_100000036235 [1,0,0,0,0,1|2,0,0]=4 1278 B17R2.1791 CCc1cccc(c1Sc2cccnc2)C 62a_100000036235_100000210063 [1,0,0,0,0,1|2,0,0]=4 1279 B17R2.1791 CCc1cccc(c1Sc2cccnc2)C 62a_100000210063_100000036235 [1,0,0,0,0,1|2,0,0]=4 1280 B17R2.1791 CCc1cccc(c1Sc2cccnn2)C 62a_100000036235_100016991348 [1,0,0,0,0,1|2,0,0]=4 1281 B17R2.1791 CCc1cccc(c1Sc2cccnn2)C 62a_100016991348_100000036235 [1,0,0,0,0,1|2,0,0]=4 1282 B17R2.1791 CCc1cccc(c1Sc2ccncn2)C 62a_100000036235_100000703185 [1,0,0,0,0,1|2,0,0]=4 1283 B17R2.1791 CCc1cccc(c1Sc2ccncn2)C 62a_100000703185_100000036235 [1,0,0,0,0,1|2,0,0]=4 1284 B17R2.1791 CCc1cccc(c1Sc2cnccn2)C 62a_100000036235_100000211759 [1,0,0,0,0,1|1,0,1]=4 1285 B17R2.1791 CCc1cccc(c1Sc2cnccn2)C 62a_100000211759_100000036235 [1,0,0,0,0,1|1,0,1]=4 1286 B17R2.1791 CCc1cccc(c1Sc2ncccn2)C 62a_100000036235_100000211032 [1,0,0,0,0,1|1,0,1]=4 1287 B17R2.1791 CCc1cccc(c1Sc2ncccn2)C 62a_100000211032_100000036235 [1,0,0,0,0,1|1,0,1]=4 1288 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [1,0,0,0,0,1|0,0,2]=4 1289 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [1,0,0,0,0,1|0,0,2]=4 1290 B17R2.71328 CCc1cccc(c1NCc2c[nH]cn2)C 2230a_100000210048_100000707719 [1,0,0,0,0,1|2,0,0]=4 1291 B17R2.71328 CCc1cccc(c1NCc2c[nH]cn2)C 34a_100000210048_100000707719 [1,0,0,0,0,1|2,0,0]=4 1292 B17R2.71328 CCc1cccc(c1NCc2cc[nH]n2)C 207a_100000210048_100000738523 [1,0,0,0,0,1|2,0,0]=4 1293 B17R2.71328 CCc1cccc(c1NCc2ccco2)C 207a_100000210048_100000186105 [1,0,0,0,0,1|2,0,0]=4 1294 B17R2.71328 CCc1cccc(c1NCc2ccco2)C 270302a_100000210048_100000186105 [1,0,0,0,0,1|2,0,0]=4 1295 B17R2.71328 CCc1cccc(c1NCc2cccs2)C 207a_100000210048_100000209959 [1,0,0,0,0,1|2,0,0]=4 1296 B17R2.71328 CCc1cccc(c1NCc2cccs2)C 270302a_100000210048_100000209959 [1,0,0,0,0,1|2,0,0]=4 1297 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 2230a_100000210048_100000728653 [1,0,0,0,0,1|2,0,0]=4 1298 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 34a_100000210048_100000728653 [1,0,0,0,0,1|2,0,0]=4 1299 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 7a_100000210048_100000728653 [1,0,0,0,0,1|2,0,0]=4 1300 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 2230a_100000210048_100000234950 [1,0,0,0,0,1|2,0,0]=4 1301 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 34a_100000210048_100000234950 [1,0,0,0,0,1|2,0,0]=4 1302 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 7a_100000210048_100000234950 [1,0,0,0,0,1|2,0,0]=4 1303 B17R2.71328 CCc1cccc(c1NCc2cnc[nH]2)C 207a_100000210048_100000742939 [1,0,0,0,0,1|2,0,0]=4 1304 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 207a_100000210048_100000743575 [1,0,0,0,0,1|2,0,0]=4 1305 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 2230a_100000210048_100000205941 [1,0,0,0,0,1|2,0,0]=4 1306 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 270302a_100000210048_100000743575 [1,0,0,0,0,1|2,0,0]=4 1307 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 34a_100000210048_100000205941 [1,0,0,0,0,1|2,0,0]=4 1308 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 7a_100000210048_100000205941 [1,0,0,0,0,1|2,0,0]=4 1309 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 207a_100000210048_100000743867 [1,0,0,0,0,1|0,0,0]=2 1310 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 2230a_100000210048_100016991755 [1,0,0,0,0,1|0,0,0]=2 1311 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 34a_100000210048_100016991755 [1,0,0,0,0,1|0,0,0]=2 1312 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 7a_100000210048_100000753453 [1,0,0,0,0,1|0,0,0]=2 1313 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 2230a_100000210048_103436540062 [1,0,0,0,0,1|1,0,0]=3 1314 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 34a_100000210048_103436540062 [1,0,0,0,0,1|1,0,0]=3 1315 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 7a_100000210048_103436540062 [1,0,0,0,0,1|1,0,0]=3 1316 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 207a_100000210048_100000750902 [1,0,0,0,0,1|1,0,0]=3 1317 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 2230a_100000210048_100015184050 [1,0,0,0,0,1|1,0,0]=3 1318 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 270302a_100000210048_100000750902 [1,0,0,0,0,1|1,0,0]=3 1319 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 34a_100000210048_100015184050 [1,0,0,0,0,1|1,0,0]=3 1320 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 7a_100000210048_100015184050 [1,0,0,0,0,1|1,0,0]=3 1321 B17R2.71328 CCc1cccc(c1NCc2ncon2)C 34a_100000210048_100000233494 [1,0,0,0,0,1|1,0,1]=4 1322 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 34a_100000210048_100000765167 [1,0,0,0,0,1|2,0,0]=4 1323 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 7a_100000210048_100000765167 [1,0,0,0,0,1|2,0,0]=4 1324 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [1,0,0,0,0,1|0,0,2]=4 1325 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [1,0,0,0,0,1|0,0,2]=4 1326 B17R2.71328 CCc1cccc(c1OCc2c[nH]cn2)C 34a_100000034007_100000707719 [1,0,0,0,0,1|2,0,0]=4 1327 B17R2.71328 CCc1cccc(c1OCc2ccn[nH]2)C 34a_100000034007_100000728653 [1,0,0,0,0,1|2,0,0]=4 1328 B17R2.71328 CCc1cccc(c1OCc2ccn[nH]2)C 7a_100000034007_100000728653 [1,0,0,0,0,1|2,0,0]=4 1329 B17R2.71328 CCc1cccc(c1OCc2ccon2)C 34a_100000034007_100000234950 [1,0,0,0,0,1|2,0,0]=4 1330 B17R2.71328 CCc1cccc(c1OCc2ccon2)C 7a_100000034007_100000234950 [1,0,0,0,0,1|2,0,0]=4 1331 B17R2.71328 CCc1cccc(c1OCc2cscn2)C 34a_100000034007_100000205941 [1,0,0,0,0,1|2,0,0]=4 1332 B17R2.71328 CCc1cccc(c1OCc2cscn2)C 7a_100000034007_100000205941 [1,0,0,0,0,1|2,0,0]=4 1333 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 34a_200010001580_100016991755 [1,0,0,0,0,1|1,0,0]=3 1334 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 7a_200010001580_100000753453 [1,0,0,0,0,1|1,0,0]=3 1335 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 34a_100000034007_100016991755 [1,0,0,0,0,1|0,0,0]=2 1336 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 7a_100000034007_100000753453 [1,0,0,0,0,1|0,0,0]=2 1337 B17R2.71328 CCc1cccc(c1OCc2ncco2)Br 34a_200010001580_103436540062 [1,0,0,0,0,1|2,0,0]=4 1338 B17R2.71328 CCc1cccc(c1OCc2ncco2)Br 7a_200010001580_103436540062 [1,0,0,0,0,1|2,0,0]=4 1339 B17R2.71328 CCc1cccc(c1OCc2ncco2)C 34a_100000034007_103436540062 [1,0,0,0,0,1|1,0,0]=3 1340 B17R2.71328 CCc1cccc(c1OCc2ncco2)C 7a_100000034007_103436540062 [1,0,0,0,0,1|1,0,0]=3 1341 B17R2.71328 CCc1cccc(c1OCc2nccs2)Br 34a_200010001580_100015184050 [1,0,0,0,0,1|2,0,0]=4 1342 B17R2.71328 CCc1cccc(c1OCc2nccs2)Br 7a_200010001580_100015184050 [1,0,0,0,0,1|2,0,0]=4 1343 B17R2.71328 CCc1cccc(c1OCc2nccs2)C 34a_100000034007_100015184050 [1,0,0,0,0,1|1,0,0]=3 1344 B17R2.71328 CCc1cccc(c1OCc2nccs2)C 7a_100000034007_100015184050 [1,0,0,0,0,1|1,0,0]=3 1345 B17R2.71328 CCc1cccc(c1OCc2ncon2)C 34a_100000034007_100000233494 [1,0,0,0,0,1|1,0,1]=4 1346 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 34a_100000034007_100000765167 [1,0,0,0,0,1|2,0,0]=4 1347 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 7a_100000034007_100000765167 [1,0,0,0,0,1|2,0,0]=4 1348 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000036235_100000737910 [1,0,0,0,0,1|0,0,2]=4 1349 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000036235 [1,0,0,0,0,1|0,0,2]=4 1350 B17R2.71328 CCc1cccc(c1SCc2c[nH]cn2)C 62a_100000036235_100000707719 [1,0,0,0,0,1|2,0,0]=4 1351 B17R2.71328 CCc1cccc(c1SCc2c[nH]cn2)C 62a_100000707719_100000036235 [1,0,0,0,0,1|2,0,0]=4 1352 B17R2.71328 CCc1cccc(c1SCc2ccn[nH]2)C 62a_100000036235_100000728653 [1,0,0,0,0,1|2,0,0]=4 1353 B17R2.71328 CCc1cccc(c1SCc2ccn[nH]2)C 62a_100000728653_100000036235 [1,0,0,0,0,1|2,0,0]=4 1354 B17R2.71328 CCc1cccc(c1SCc2ccon2)C 62a_100000036235_100000234950 [1,0,0,0,0,1|2,0,0]=4 1355 B17R2.71328 CCc1cccc(c1SCc2ccon2)C 62a_100000234950_100000036235 [1,0,0,0,0,1|2,0,0]=4 1356 B17R2.71328 CCc1cccc(c1SCc2cscn2)C 62a_100000036235_100000205941 [1,0,0,0,0,1|2,0,0]=4 1357 B17R2.71328 CCc1cccc(c1SCc2cscn2)C 62a_100000205941_100000036235 [1,0,0,0,0,1|2,0,0]=4 1358 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100000036235_100016991755 [1,0,0,0,0,1|0,0,0]=2 1359 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100000036235 [1,0,0,0,0,1|0,0,0]=2 1360 B17R2.71328 CCc1cccc(c1SCc2ncco2)C 62a_100000036235_103436540062 [1,0,0,0,0,1|1,0,0]=3 1361 B17R2.71328 CCc1cccc(c1SCc2ncco2)C 62a_103436540062_100000036235 [1,0,0,0,0,1|1,0,0]=3 1362 B17R2.71328 CCc1cccc(c1SCc2nccs2)C 62a_100000036235_100015184050 [1,0,0,0,0,1|1,0,0]=3 1363 B17R2.71328 CCc1cccc(c1SCc2nccs2)C 62a_100015184050_100000036235 [1,0,0,0,0,1|1,0,0]=3 1364 B17R2.71328 CCc1cccc(c1SCc2ncon2)C 62a_100000036235_100000233494 [1,0,0,0,0,1|1,0,1]=4 1365 B17R2.71328 CCc1cccc(c1SCc2ncon2)C 62a_100000233494_100000036235 [1,0,0,0,0,1|1,0,1]=4 1366 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000036235_100000765167 [1,0,0,0,0,1|2,0,0]=4 1367 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100000036235 [1,0,0,0,0,1|2,0,0]=4 1368 B17R2.71328 CCc1occc(=O)c1OCc2ncc[nH]2 34a_100000033269_100016991755 [1,0,0,0,0,1|2,0,0]=4 1369 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)Cl 62a_100012349678_100025796157 [1,0,0,0,0,1|2,0,0]=4 1370 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100012349678 [1,0,0,0,0,1|2,0,0]=4 1371 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)F 62a_100011216731_100025796157 [1,0,0,0,0,1|2,0,0]=4 1372 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100011216731 [1,0,0,0,0,1|2,0,0]=4 1373 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Br 34a_100000708083_100016991755 [1,0,0,0,0,1|2,0,0]=4 1374 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 207a_100000758225_100000743867 [1,0,0,0,0,1|1,0,0]=3 1375 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 2230a_100000758225_100016991755 [1,0,0,0,0,1|1,0,0]=3 1376 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 34a_100000758225_100016991755 [1,0,0,0,0,1|1,0,0]=3 1377 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Cl 207a_100011309317_100000743867 [1,0,0,0,0,1|2,0,0]=4 1378 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Cl 34a_100011309317_100016991755 [1,0,0,0,0,1|2,0,0]=4 1379 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)F 207a_100000686744_100000743867 [1,0,0,0,0,1|2,0,0]=4 1380 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)F 34a_100000686744_100016991755 [1,0,0,0,0,1|2,0,0]=4 1381 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)O 34a_100012022766_100016991755 [1,0,0,0,0,1|2,0,0]=4 1382 B17R2.71328 COc1cccc(c1NCc2ncco2)C 2230a_100000758225_103436540062 [1,0,0,0,0,1|2,0,0]=4 1383 B17R2.71328 COc1cccc(c1NCc2ncco2)C 34a_100000758225_103436540062 [1,0,0,0,0,1|2,0,0]=4 1384 B17R2.71328 COc1cccc(c1NCc2nccs2)C 207a_100000758225_100000750902 [1,0,0,0,0,1|2,0,0]=4 1385 B17R2.71328 COc1cccc(c1NCc2nccs2)C 2230a_100000758225_100015184050 [1,0,0,0,0,1|2,0,0]=4 1386 B17R2.71328 COc1cccc(c1NCc2nccs2)C 270302a_100000758225_100000750902 [1,0,0,0,0,1|2,0,0]=4 1387 B17R2.71328 COc1cccc(c1NCc2nccs2)C 34a_100000758225_100015184050 [1,0,0,0,0,1|2,0,0]=4 1388 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Br 34a_100000686866_100016991755 [1,0,0,0,0,1|2,0,0]=4 1389 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 34a_100011219253_100016991755 [1,0,0,0,0,1|1,0,0]=3 1390 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 7a_100011219253_100000753453 [1,0,0,0,0,1|1,0,0]=3 1391 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Cl 34a_100009851661_100016991755 [1,0,0,0,0,1|2,0,0]=4 1392 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Cl 7a_100009851661_100000753453 [1,0,0,0,0,1|2,0,0]=4 1393 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)F 34a_100000036725_100016991755 [1,0,0,0,0,1|2,0,0]=4 1394 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)F 7a_100000036725_100000753453 [1,0,0,0,0,1|2,0,0]=4 1395 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)N 34a_100000123586_100016991755 [1,0,0,0,0,1|2,0,0]=4 1396 B17R2.71328 COc1cccc(c1OCc2ncco2)C 34a_100011219253_103436540062 [1,0,0,0,0,1|2,0,0]=4 1397 B17R2.71328 COc1cccc(c1OCc2ncco2)C 7a_100011219253_103436540062 [1,0,0,0,0,1|2,0,0]=4 1398 B17R2.71328 COc1cccc(c1OCc2nccs2)C 34a_100011219253_100015184050 [1,0,0,0,0,1|2,0,0]=4 1399 B17R2.71328 COc1cccc(c1OCc2nccs2)C 7a_100011219253_100015184050 [1,0,0,0,0,1|2,0,0]=4 1400 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)Br 62a_100010131421_100016991755 [1,0,0,0,0,1|2,0,0]=4 1401 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010131421 [1,0,0,0,0,1|2,0,0]=4 1402 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100010191535_100016991755 [1,0,0,0,0,1|1,0,0]=3 1403 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100010191535 [1,0,0,0,0,1|1,0,0]=3 1404 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)F 62a_100000703912_100016991755 [1,0,0,0,0,1|2,0,0]=4 1405 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100000703912 [1,0,0,0,0,1|2,0,0]=4 1406 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)N 62a_100000703447_100016991755 [1,0,0,0,0,1|2,0,0]=4 1407 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)N 62a_100016991755_100000703447 [1,0,0,0,0,1|2,0,0]=4 1408 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100010202623 [1,0,0,0,0,1|2,0,0]=4 1409 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_100010191535_103436540062 [1,0,0,0,0,1|2,0,0]=4 1410 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_103436540062_100010191535 [1,0,0,0,0,1|2,0,0]=4 1411 B17R2.71328 COc1cccc(c1SCc2nccs2)C 62a_100010191535_100015184050 [1,0,0,0,0,1|2,0,0]=4 1412 B17R2.71328 COc1cccc(c1SCc2nccs2)C 62a_100015184050_100010191535 [1,0,0,0,0,1|2,0,0]=4 1413 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)C 62a_100012353928_100016991755 [1,0,0,0,0,1|2,0,0]=4 1414 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)C 62a_100016991755_100012353928 [1,0,0,0,0,1|2,0,0]=4 1415 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)C#N 2230a_100011826843_100016991755 [1,0,0,0,0,1|1,0,1]=4 1416 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 207a_100011215590_100000743867 [1,0,0,0,0,1|1,0,0]=3 1417 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 34a_100011215590_100016991755 [1,0,0,0,0,1|1,0,0]=3 1418 B17R2.71328 Cc1cccc(c1NCc2ncco2)CO 34a_100011215590_103436540062 [1,0,0,0,0,1|2,0,0]=4 1419 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 207a_100011215590_100000750902 [1,0,0,0,0,1|2,0,0]=4 1420 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 270302a_100011215590_100000750902 [1,0,0,0,0,1|2,0,0]=4 1421 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 34a_100011215590_100015184050 [1,0,0,0,0,1|2,0,0]=4 1422 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)C#N 34a_100011659161_100016991755 [1,0,0,0,0,1|1,0,1]=4 1423 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)C#N 7a_100011659161_100000753453 [1,0,0,0,0,1|1,0,1]=4 1424 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)CN 34a_100020639391_100016991755 [1,0,0,0,0,1|1,0,0]=3 1425 B17R2.71328 Cc1cccc(c1OCc2ncco2)CN 34a_100020639391_103436540062 [1,0,0,0,0,1|2,0,0]=4 1426 B17R2.71328 Cc1cccc(c1OCc2nccs2)CN 34a_100020639391_100015184050 [1,0,0,0,0,1|2,0,0]=4 1427 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C#N 62a_100016991755_100011934862 [1,0,0,0,0,1|1,0,1]=4 1428 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C=O 62a_100012186367_100016991755 [1,0,0,0,0,1|1,0,1]=4 1429 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C=O 62a_100016991755_100012186367 [1,0,0,0,0,1|1,0,1]=4 1430 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100011659289_100016991755 [1,0,0,0,0,1|1,0,0]=3 1431 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100016991755_100011659289 [1,0,0,0,0,1|1,0,0]=3 1432 B17R2.71328 Cc1cccc(c1SCc2ncco2)CO 62a_100011659289_103436540062 [1,0,0,0,0,1|2,0,0]=4 1433 B17R2.71328 Cc1cccc(c1SCc2ncco2)CO 62a_103436540062_100011659289 [1,0,0,0,0,1|2,0,0]=4 1434 B17R2.71328 Cc1cccc(c1SCc2nccs2)CO 62a_100011659289_100015184050 [1,0,0,0,0,1|2,0,0]=4 1435 B17R2.71328 Cc1cccc(c1SCc2nccs2)CO 62a_100015184050_100011659289 [1,0,0,0,0,1|2,0,0]=4 1436 B17R2.71328 NCc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100020638964 [1,0,0,0,0,1|2,0,0]=4 1437 B17R2.71328 NCc1cccc(c1SCc2ncc[nH]2)F 62a_100020638964_100016991755 [1,0,0,0,0,1|2,0,0]=4 1438 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)Cl 34a_100012182729_100016991755 [1,0,0,0,0,1|2,0,0]=4 1439 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)F 207a_100000692437_100000743867 [1,0,0,0,0,1|2,0,0]=4 1440 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)F 34a_100000692437_100016991755 [1,0,0,0,0,1|2,0,0]=4 1441 B17R2.71328 OCc1cccc(c1OCc2ncc[nH]2)F 34a_100011997349_100016991755 [1,0,0,0,0,1|2,0,0]=4 1442 B17R2.71328 OCc1cccc(c1OCc2ncc[nH]2)F 7a_100011997349_100000753453 [1,0,0,0,0,1|2,0,0]=4 1443 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)Br 62a_100010146604_100016991755 [1,0,0,0,0,1|2,0,0]=4 1444 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010146604 [1,0,0,0,0,1|2,0,0]=4 1445 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)F 62a_100012351117_100016991755 [1,0,0,0,0,1|2,0,0]=4 1446 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100012351117 [1,0,0,0,0,1|2,0,0]=4 1447 B17R2.73327 CCc1ccc(c(c1)Sc2ncc[nH]2)OC 62a_100010062400_100025796157 [0,0,0,0,1,1|2,0,0]=4 1448 B17R2.73327 CCc1ccc(c(c1)Sc2ncc[nH]2)OC 62a_100025796157_100010062400 [0,0,0,0,1,1|2,0,0]=4 1449 B19R2.190899 CCc1cccc(c1C=Cc2cccnc2)CC 271570a_100102525586_100010212195 [0,0,0,0,0,2|1,0,1]=4 1450 B19R2.190899 CCc1cccc(c1NCc2ccccc2)CC 207a_100000211307_100015611070 [0,0,0,0,0,2|2,0,0]=4 1451 B19R2.190899 CCc1cccc(c1NCc2ccccc2)CC 2230a_100000211307_100015291786 [0,0,0,0,0,2|2,0,0]=4 1452 B19R2.190899 CCc1cccc(c1NCc2ccccc2)CC 270302a_100000211307_100015611070 [0,0,0,0,0,2|2,0,0]=4 1453 B19R2.190899 CCc1cccc(c1NCc2ccccc2)CC 34a_100000211307_100015291786 [0,0,0,0,0,2|2,0,0]=4 1454 B19R2.190899 CCc1cccc(c1NCc2ccccc2)CC 7a_100000211307_100000211182 [0,0,0,0,0,2|2,0,0]=4 1455 B19R2.190899 CCc1cccc(c1NCc2ccccn2)CC 207a_100000211307_100000209966 [0,0,0,0,0,2|1,0,0]=3 1456 B19R2.190899 CCc1cccc(c1NCc2ccccn2)CC 2230a_100000211307_100000721315 [0,0,0,0,0,2|1,0,0]=3 1457 B19R2.190899 CCc1cccc(c1NCc2ccccn2)CC 270302a_100000211307_100000209966 [0,0,0,0,0,2|1,0,0]=3 1458 B19R2.190899 CCc1cccc(c1NCc2ccccn2)CC 34a_100000211307_100000721315 [0,0,0,0,0,2|1,0,0]=3 1459 B19R2.190899 CCc1cccc(c1NCc2ccccn2)CC 7a_100000211307_100000721315 [0,0,0,0,0,2|1,0,0]=3 1460 B19R2.190899 CCc1cccc(c1NCc2cccnc2)CC 207a_100000211307_100000209961 [0,0,0,0,0,2|1,0,0]=3 1461 B19R2.190899 CCc1cccc(c1NCc2cccnc2)CC 2230a_100000211307_100000741622 [0,0,0,0,0,2|1,0,0]=3 1462 B19R2.190899 CCc1cccc(c1NCc2cccnc2)CC 270302a_100000211307_100000209961 [0,0,0,0,0,2|1,0,0]=3 1463 B19R2.190899 CCc1cccc(c1NCc2cccnc2)CC 34a_100000211307_100000733263 [0,0,0,0,0,2|1,0,0]=3 1464 B19R2.190899 CCc1cccc(c1NCc2cccnc2)CC 7a_100000211307_100000741622 [0,0,0,0,0,2|1,0,0]=3 1465 B19R2.190899 CCc1cccc(c1NCc2cccnn2)CC 2230a_100000211307_100016990269 [0,0,0,0,0,2|1,0,0]=3 1466 B19R2.190899 CCc1cccc(c1NCc2cccnn2)CC 34a_100000211307_100016990269 [0,0,0,0,0,2|1,0,0]=3 1467 B19R2.190899 CCc1cccc(c1NCc2cccnn2)CC 7a_100000211307_100016990269 [0,0,0,0,0,2|1,0,0]=3 1468 B19R2.190899 CCc1cccc(c1NCc2ccncc2)CC 207a_100000211307_100000186114 [0,0,0,0,0,2|2,0,0]=4 1469 B19R2.190899 CCc1cccc(c1NCc2ccncc2)CC 2230a_100000211307_100015193705 [0,0,0,0,0,2|2,0,0]=4 1470 B19R2.190899 CCc1cccc(c1NCc2ccncc2)CC 7a_100000211307_100015193705 [0,0,0,0,0,2|2,0,0]=4 1471 B19R2.190899 CCc1cccc(c1NCc2ccnnc2)CC 270302a_100000211307_100011934578 [0,0,0,0,0,2|2,0,0]=4 1472 B19R2.190899 CCc1cccc(c1NCc2cnccn2)CC 2230a_100000211307_100016995436 [0,0,0,0,0,2|0,0,1]=3 1473 B19R2.190899 CCc1cccc(c1NCc2cnccn2)CC 34a_100000211307_100016995436 [0,0,0,0,0,2|0,0,1]=3 1474 B19R2.190899 CCc1cccc(c1NCc2cnccn2)CC 7a_100000211307_100016995436 [0,0,0,0,0,2|0,0,1]=3 1475 B19R2.190899 CCc1cccc(c1NCc2cncnc2)CC 2230a_100000211307_100015196519 [0,0,0,0,0,2|2,0,0]=4 1476 B19R2.190899 CCc1cccc(c1NCc2cncnc2)CC 270302a_100000211307_100000749868 [0,0,0,0,0,2|2,0,0]=4 1477 B19R2.190899 CCc1cccc(c1NCc2cncnc2)CC 34a_100000211307_100015196519 [0,0,0,0,0,2|2,0,0]=4 1478 B19R2.190899 CCc1cccc(c1NCc2cncnc2)CC 7a_100000211307_100015196519 [0,0,0,0,0,2|2,0,0]=4 1479 B19R2.190899 CCc1cccc(c1NCc2ncccn2)CC 2230a_100000211307_100000703007 [0,0,0,0,0,2|0,0,1]=3 1480 B19R2.190899 CCc1cccc(c1NCc2ncccn2)CC 34a_100000211307_100000703007 [0,0,0,0,0,2|0,0,1]=3 1481 B19R2.190899 CCc1cccc(c1NCc2ncccn2)CC 7a_100000211307_100000703007 [0,0,0,0,0,2|0,0,1]=3 1482 B19R2.190899 CCc1cccc(c1OCc2ccccc2)CC 34a_100000078057_100015291786 [0,0,0,0,0,2|2,0,0]=4 1483 B19R2.190899 CCc1cccc(c1OCc2ccccc2)CC 7a_100000078057_100000211182 [0,0,0,0,0,2|2,0,0]=4 1484 B19R2.190899 CCc1cccc(c1OCc2ccccn2)CC 34a_100000078057_100000721315 [0,0,0,0,0,2|1,0,0]=3 1485 B19R2.190899 CCc1cccc(c1OCc2ccccn2)CC 7a_100000078057_100000721315 [0,0,0,0,0,2|1,0,0]=3 1486 B19R2.190899 CCc1cccc(c1OCc2cccnc2)CC 34a_100000078057_100000733263 [0,0,0,0,0,2|1,0,0]=3 1487 B19R2.190899 CCc1cccc(c1OCc2cccnc2)CC 7a_100000078057_100000741622 [0,0,0,0,0,2|1,0,0]=3 1488 B19R2.190899 CCc1cccc(c1OCc2cccnn2)CC 34a_100000078057_100016990269 [0,0,0,0,0,2|1,0,0]=3 1489 B19R2.190899 CCc1cccc(c1OCc2cccnn2)CC 7a_100000078057_100016990269 [0,0,0,0,0,2|1,0,0]=3 1490 B19R2.190899 CCc1cccc(c1OCc2ccncc2)CC 7a_100000078057_100015193705 [0,0,0,0,0,2|2,0,0]=4 1491 B19R2.190899 CCc1cccc(c1OCc2cnccn2)CC 34a_100000078057_100016995436 [0,0,0,0,0,2|0,0,1]=3 1492 B19R2.190899 CCc1cccc(c1OCc2cnccn2)CC 7a_100000078057_100016995436 [0,0,0,0,0,2|0,0,1]=3 1493 B19R2.190899 CCc1cccc(c1OCc2cncnc2)CC 34a_100000078057_100015196519 [0,0,0,0,0,2|2,0,0]=4 1494 B19R2.190899 CCc1cccc(c1OCc2cncnc2)CC 7a_100000078057_100015196519 [0,0,0,0,0,2|2,0,0]=4 1495 B19R2.190899 CCc1cccc(c1OCc2ncccn2)CC 34a_100000078057_100000703007 [0,0,0,0,0,2|0,0,1]=3 1496 B19R2.190899 CCc1cccc(c1OCc2ncccn2)CC 7a_100000078057_100000703007 [0,0,0,0,0,2|0,0,1]=3 1497 B19R2.190899 CCc1cccc(c1SCc2ccccc2)CC 62a_100000211182_100010212195 [0,0,0,0,0,2|2,0,0]=4 1498 B19R2.190899 CCc1cccc(c1SCc2ccccc2)CC 62a_100010212195_100015291786 [0,0,0,0,0,2|2,0,0]=4 1499 B19R2.190899 CCc1cccc(c1SCc2ccccn2)CC 62a_100000721315_100010212195 [0,0,0,0,0,2|1,0,0]=3 1500 B19R2.190899 CCc1cccc(c1SCc2ccccn2)CC 62a_100010212195_100000721315 [0,0,0,0,0,2|1,0,0]=3 1501 B19R2.190899 CCc1cccc(c1SCc2cccnc2)CC 62a_100000741622_100010212195 [0,0,0,0,0,2|1,0,0]=3 1502 B19R2.190899 CCc1cccc(c1SCc2cccnc2)CC 62a_100010212195_100000741622 [0,0,0,0,0,2|1,0,0]=3 1503 B19R2.190899 CCc1cccc(c1SCc2cccnn2)CC 62a_100010212195_100016990269 [0,0,0,0,0,2|1,0,0]=3 1504 B19R2.190899 CCc1cccc(c1SCc2cccnn2)CC 62a_100016990269_100010212195 [0,0,0,0,0,2|1,0,0]=3 1505 B19R2.190899 CCc1cccc(c1SCc2ccncc2)CC 62a_100010212195_100015193705 [0,0,0,0,0,2|2,0,0]=4 1506 B19R2.190899 CCc1cccc(c1SCc2ccncc2)CC 62a_100015193705_100010212195 [0,0,0,0,0,2|2,0,0]=4 1507 B19R2.190899 CCc1cccc(c1SCc2cnccn2)CC 62a_100010212195_100016995436 [0,0,0,0,0,2|0,0,1]=3 1508 B19R2.190899 CCc1cccc(c1SCc2cnccn2)CC 62a_100016995436_100010212195 [0,0,0,0,0,2|0,0,1]=3 1509 B19R2.190899 CCc1cccc(c1SCc2cncnc2)CC 62a_100010212195_100015196519 [0,0,0,0,0,2|2,0,0]=4 1510 B19R2.190899 CCc1cccc(c1SCc2cncnc2)CC 62a_100015196519_100010212195 [0,0,0,0,0,2|2,0,0]=4 1511 B19R2.190899 CCc1cccc(c1SCc2ncccn2)CC 62a_100000703007_100010212195 [0,0,0,0,0,2|0,0,1]=3 1512 B19R2.190899 CCc1cccc(c1SCc2ncccn2)CC 62a_100010212195_100000703007 [0,0,0,0,0,2|0,0,1]=3 1513 B19R2.191185 CCc1cccc(c1NCCc2c[nH]cn2)CC 2230a_100000211307_100020628418 [0,0,0,0,0,2|2,0,0]=4 1514 B19R2.191185 CCc1cccc(c1NCCc2c[nH]cn2)CC 7a_100000211307_100020628418 [0,0,0,0,0,2|2,0,0]=4 1515 B19R2.191185 CCc1cccc(c1NCCc2cccs2)CC 2230a_100000211307_100000748579 [0,0,0,0,0,2|2,0,0]=4 1516 B19R2.191185 CCc1cccc(c1NCCc2cccs2)CC 34a_100000211307_100000748579 [0,0,0,0,0,2|2,0,0]=4 1517 B19R2.191185 CCc1cccc(c1NCCc2cccs2)CC 7a_100000211307_100000748579 [0,0,0,0,0,2|2,0,0]=4 1518 B19R2.191185 CCc1cccc(c1NCCc2nnn[nH]2)CC 7a_100000211307_100000031946 [0,0,0,0,0,2|2,0,0]=4 1519 B19R2.191185 CCc1cccc(c1NCCn2cccn2)CC 2230a_100000211307_100000685285 [0,0,0,0,0,2|2,0,0]=4 1520 B19R2.191185 CCc1cccc(c1NCCn2cccn2)CC 34a_100000211307_100015204718 [0,0,0,0,0,2|2,0,0]=4 1521 B19R2.191185 CCc1cccc(c1NCCn2cccn2)CC 7a_100000211307_100000685285 [0,0,0,0,0,2|2,0,0]=4 1522 B19R2.191185 CCc1cccc(c1OCCc2c[nH]cn2)CC 7a_100000078057_100020628418 [0,0,0,0,0,2|2,0,0]=4 1523 B19R2.191185 CCc1cccc(c1OCCc2cccs2)CC 34a_100000078057_100000748579 [0,0,0,0,0,2|2,0,0]=4 1524 B19R2.191185 CCc1cccc(c1OCCc2cccs2)CC 7a_100000078057_100000748579 [0,0,0,0,0,2|2,0,0]=4 1525 B19R2.191185 CCc1cccc(c1OCCc2nnn[nH]2)CC 7a_100000078057_100000031946 [0,0,0,0,0,2|2,0,0]=4 1526 B19R2.191185 CCc1cccc(c1OCCn2cccn2)CC 34a_100000078057_100015204718 [0,0,0,0,0,2|2,0,0]=4 1527 B19R2.191185 CCc1cccc(c1OCCn2cccn2)CC 7a_100000078057_100000685285 [0,0,0,0,0,2|2,0,0]=4 1528 B19R2.191185 CCc1cccc(c1SCCc2c[nH]cn2)CC 62a_100010212195_100020628418 [0,0,0,0,0,2|2,0,0]=4 1529 B19R2.191185 CCc1cccc(c1SCCc2c[nH]cn2)CC 62a_100020628418_100010212195 [0,0,0,0,0,2|2,0,0]=4 1530 B19R2.191185 CCc1cccc(c1SCCc2cccs2)CC 62a_100000748579_100010212195 [0,0,0,0,0,2|2,0,0]=4 1531 B19R2.191185 CCc1cccc(c1SCCc2cccs2)CC 62a_100010212195_100000748579 [0,0,0,0,0,2|2,0,0]=4 1532 B19R2.191185 CCc1cccc(c1SCCc2nnn[nH]2)CC 62a_100000031946_100010212195 [0,0,0,0,0,2|2,0,0]=4 1533 B19R2.191185 CCc1cccc(c1SCCc2nnn[nH]2)CC 62a_100010212195_100000031946 [0,0,0,0,0,2|2,0,0]=4 1534 B19R2.191185 CCc1cccc(c1SCCn2cccn2)CC 62a_100010212195_100000685285 [0,0,0,0,0,2|2,0,0]=4 1535 B19R2.191185 CCc1cccc(c1SCCn2cccn2)CC 62a_100015204718_100010212195 [0,0,0,0,0,2|2,0,0]=4 1536 B19R2.191185 COc1cccc(c1CNCc2ncc[nH]2)OC 207a_100000754540_100000691606 [0,0,0,0,0,2|2,0,0]=4 1537 B19R2.191185 COc1cccc(c1CNCc2ncc[nH]2)OC 207a_100011211632_100000743867 [0,0,0,0,0,2|2,0,0]=4 1538 B19R2.191185 COc1cccc(c1CNCc2ncc[nH]2)OC 2230a_100011211632_100016991755 [0,0,0,0,0,2|2,0,0]=4 1539 B19R2.191185 COc1cccc(c1CNCc2ncc[nH]2)OC 270004a_100000754540_100000691606 [0,0,0,0,0,2|2,0,0]=4 1540 B19R2.191185 COc1cccc(c1CNCc2ncc[nH]2)OC 34a_100011211632_100016991755 [0,0,0,0,0,2|2,0,0]=4 1541 B19R2.191185 COc1cccc(c1COCc2ncc[nH]2)OC 34a_100000686646_100016991755 [0,0,0,0,0,2|2,0,0]=4 1542 B19R2.191185 COc1cccc(c1COCc2ncc[nH]2)OC 7a_100000686646_100000753453 [0,0,0,0,0,2|2,0,0]=4 1543 B19R2.191185 COc1cccc(c1COCc2ncc[nH]2)SC 34a_200009828978_100016991755 [0,0,0,0,0,2|2,0,0]=4