0 B15R2.15371 Brc1cccc(c1Sc2ncc[nH]2)Br 62a_100009994525_100025796157 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.15371 Brc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100009994525 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.15371 Brc1cccc(c1Sc2ncco2)Br 62a_100009994525_100011787736 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.15371 Brc1cccc(c1Sc2ncco2)Br 62a_100011787736_100009994525 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.15371 Brc1cccc(c1Sc2nccs2)Br 62a_100000211983_100009994525 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.15371 Brc1cccc(c1Sc2nccs2)Br 62a_100009994525_100000211983 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.15371 Brc1cncc(c1Sc2ncc[nH]2)Br 62a_100010172828_100025796157 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.15371 Brc1cncc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010172828 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.15371 Cc1ccc[n+](c1Sc2ncc[nH]2)[O-] 62a_100025796157_100116209805 [0,0,0,0,0,0|3,0,0]=3 9 B15R2.15371 Cc1ccc[n+](c1Sc2ncco2)[O-] 62a_100011787736_100116209805 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.15371 Cc1ccc[n+](c1Sc2nccs2)[O-] 62a_100000211983_100116209805 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.15371 Cc1cccc(c1CN2CC=CC2)Br 269982a_100015195280_100010146847 [0,0,0,0,0,0|4,0,0]=4 12 B15R2.15371 Cc1cccc(c1CN2CC=CC2)Br 26a_100015195280_100009817157 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.15371 Cc1cccc(c1CN2CC=CC2)C 269982a_100015195280_100000758300 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.15371 Cc1cccc(c1CN2CC=CC2)F 269982a_100015195280_100009814554 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.15371 Cc1cccc(c1CN2CC=CC2)I 269982a_100015195280_100010150146 [0,0,0,0,0,0|4,0,0]=4 16 B15R2.15371 Cc1cccc(c1Nc2ncns2)Br 27a_100011834072_100000693119 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.15371 Cc1cccc(c1Nc2ncns2)C 27a_100000185769_100000693119 [0,0,0,0,0,0|3,0,0]=3 18 B15R2.15371 Cc1cccc(c1Nc2ncns2)Cl 27a_100000756524_100000693119 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.15371 Cc1cccc(c1Nc2ncns2)F 27a_100000766463_100000693119 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.15371 Cc1cccc(c1Nc2ncns2)O 27a_100000743429_100000693119 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.15371 Cc1cccc(c1Nc2nncs2)Br 27a_100011834072_100000739804 [0,0,0,0,0,0|4,0,0]=4 22 B15R2.15371 Cc1cccc(c1Nc2nncs2)C 27a_100000185769_100000739804 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.15371 Cc1cccc(c1Nc2nncs2)Cl 27a_100000756524_100000739804 [0,0,0,0,0,0|4,0,0]=4 24 B15R2.15371 Cc1cccc(c1Nc2nncs2)F 27a_100000766463_100000739804 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.15371 Cc1cccc(c1Nc2nncs2)O 27a_100000743429_100000739804 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)Br 62a_100000756875_100010141302 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)Br 62a_100010141302_100000756875 [0,0,0,0,0,0|4,0,0]=4 28 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)C 62a_100000033847_100000756875 [0,0,0,0,0,0|3,0,0]=3 29 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100000033847 [0,0,0,0,0,0|3,0,0]=3 30 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)Cl 62a_100000043165_100000756875 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)Cl 62a_100000756875_100000043165 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)F 62a_100000756875_100011218421 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)F 62a_100011218421_100000756875 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)N 62a_100000684715_100000756875 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)N 62a_100000756875_100000684715 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)O 62a_100000686692_100000756875 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.15371 Cc1cccc(c1Sc2c[nH]cn2)O 62a_100000756875_100000686692 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.15371 Cc1cccc(c1Sc2c[nH]nn2)C 62a_100000033847_100009819707 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.15371 Cc1cccc(c1Sc2c[nH]nn2)C 62a_100009819707_100000033847 [0,0,0,0,0,0|4,0,0]=4 40 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)Br 62a_100000062575_100010141302 [0,0,0,0,0,0|4,0,0]=4 41 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)Br 62a_100010141302_100000062575 [0,0,0,0,0,0|4,0,0]=4 42 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)C 62a_100000033847_100000062575 [0,0,0,0,0,0|3,0,0]=3 43 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100000033847 [0,0,0,0,0,0|3,0,0]=3 44 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)Cl 62a_100000043165_100000062575 [0,0,0,0,0,0|4,0,0]=4 45 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)Cl 62a_100000062575_100000043165 [0,0,0,0,0,0|4,0,0]=4 46 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)F 62a_100000062575_100011218421 [0,0,0,0,0,0|4,0,0]=4 47 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)F 62a_100011218421_100000062575 [0,0,0,0,0,0|4,0,0]=4 48 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)N 62a_100000062575_100000684715 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)N 62a_100000684715_100000062575 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)O 62a_100000062575_100000686692 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.15371 Cc1cccc(c1Sc2cc[nH]n2)O 62a_100000686692_100000062575 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.15371 Cc1cccc(c1Sc2ccco2)Br 62a_100009814098_100010141302 [0,0,0,0,0,0|4,0,0]=4 53 B15R2.15371 Cc1cccc(c1Sc2ccco2)Br 62a_100010141302_100009814098 [0,0,0,0,0,0|4,0,0]=4 54 B15R2.15371 Cc1cccc(c1Sc2ccco2)C 62a_100000033847_100009814098 [0,0,0,0,0,0|3,0,0]=3 55 B15R2.15371 Cc1cccc(c1Sc2ccco2)C 62a_100009814098_100000033847 [0,0,0,0,0,0|3,0,0]=3 56 B15R2.15371 Cc1cccc(c1Sc2ccco2)Cl 62a_100000043165_100009814098 [0,0,0,0,0,0|4,0,0]=4 57 B15R2.15371 Cc1cccc(c1Sc2ccco2)Cl 62a_100009814098_100000043165 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.15371 Cc1cccc(c1Sc2ccco2)F 62a_100009814098_100011218421 [0,0,0,0,0,0|4,0,0]=4 59 B15R2.15371 Cc1cccc(c1Sc2ccco2)F 62a_100011218421_100009814098 [0,0,0,0,0,0|4,0,0]=4 60 B15R2.15371 Cc1cccc(c1Sc2ccco2)N 62a_100000684715_100009814098 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.15371 Cc1cccc(c1Sc2ccco2)N 62a_100009814098_100000684715 [0,0,0,0,0,0|4,0,0]=4 62 B15R2.15371 Cc1cccc(c1Sc2ccco2)O 62a_100000686692_100009814098 [0,0,0,0,0,0|4,0,0]=4 63 B15R2.15371 Cc1cccc(c1Sc2ccco2)O 62a_100009814098_100000686692 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.15371 Cc1cccc(c1Sc2cccs2)Br 62a_100010141302_100011215356 [0,0,0,0,0,0|4,0,0]=4 65 B15R2.15371 Cc1cccc(c1Sc2cccs2)Br 62a_100011215356_100010141302 [0,0,0,0,0,0|4,0,0]=4 66 B15R2.15371 Cc1cccc(c1Sc2cccs2)C 62a_100000033847_100011215356 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.15371 Cc1cccc(c1Sc2cccs2)C 62a_100011215356_100000033847 [0,0,0,0,0,0|3,0,0]=3 68 B15R2.15371 Cc1cccc(c1Sc2cccs2)Cl 62a_100000043165_100011215356 [0,0,0,0,0,0|4,0,0]=4 69 B15R2.15371 Cc1cccc(c1Sc2cccs2)Cl 62a_100011215356_100000043165 [0,0,0,0,0,0|4,0,0]=4 70 B15R2.15371 Cc1cccc(c1Sc2cccs2)F 62a_100011215356_100011218421 [0,0,0,0,0,0|4,0,0]=4 71 B15R2.15371 Cc1cccc(c1Sc2cccs2)F 62a_100011218421_100011215356 [0,0,0,0,0,0|4,0,0]=4 72 B15R2.15371 Cc1cccc(c1Sc2cccs2)N 62a_100000684715_100011215356 [0,0,0,0,0,0|4,0,0]=4 73 B15R2.15371 Cc1cccc(c1Sc2cccs2)N 62a_100011215356_100000684715 [0,0,0,0,0,0|4,0,0]=4 74 B15R2.15371 Cc1cccc(c1Sc2cccs2)O 62a_100000686692_100011215356 [0,0,0,0,0,0|4,0,0]=4 75 B15R2.15371 Cc1cccc(c1Sc2cccs2)O 62a_100011215356_100000686692 [0,0,0,0,0,0|4,0,0]=4 76 B15R2.15371 Cc1cccc(c1Sc2ccoc2)C 62a_100000033847_100011215275 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.15371 Cc1cccc(c1Sc2ccoc2)C 62a_100011215275_100000033847 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.15371 Cc1cccc(c1Sc2ccon2)Br 62a_100009818083_100010141302 [0,0,0,0,0,0|4,0,0]=4 79 B15R2.15371 Cc1cccc(c1Sc2ccon2)Br 62a_100010141302_100009818083 [0,0,0,0,0,0|4,0,0]=4 80 B15R2.15371 Cc1cccc(c1Sc2ccon2)C 62a_100000033847_100009818083 [0,0,0,0,0,0|3,0,0]=3 81 B15R2.15371 Cc1cccc(c1Sc2ccon2)C 62a_100009818083_100000033847 [0,0,0,0,0,0|3,0,0]=3 82 B15R2.15371 Cc1cccc(c1Sc2ccon2)Cl 62a_100000043165_100009818083 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.15371 Cc1cccc(c1Sc2ccon2)Cl 62a_100009818083_100000043165 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.15371 Cc1cccc(c1Sc2ccon2)F 62a_100009818083_100011218421 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.15371 Cc1cccc(c1Sc2ccon2)F 62a_100011218421_100009818083 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.15371 Cc1cccc(c1Sc2ccon2)N 62a_100000684715_100009818083 [0,0,0,0,0,0|4,0,0]=4 87 B15R2.15371 Cc1cccc(c1Sc2ccon2)N 62a_100009818083_100000684715 [0,0,0,0,0,0|4,0,0]=4 88 B15R2.15371 Cc1cccc(c1Sc2ccon2)O 62a_100000686692_100009818083 [0,0,0,0,0,0|4,0,0]=4 89 B15R2.15371 Cc1cccc(c1Sc2ccon2)O 62a_100009818083_100000686692 [0,0,0,0,0,0|4,0,0]=4 90 B15R2.15371 Cc1cccc(c1Sc2ccsc2)C 62a_100000033847_100000738268 [0,0,0,0,0,0|4,0,0]=4 91 B15R2.15371 Cc1cccc(c1Sc2ccsc2)C 62a_100000738268_100000033847 [0,0,0,0,0,0|4,0,0]=4 92 B15R2.15371 Cc1cccc(c1Sc2ccsn2)Br 62a_100009818082_100010141302 [0,0,0,0,0,0|4,0,0]=4 93 B15R2.15371 Cc1cccc(c1Sc2ccsn2)Br 62a_100010141302_100009818082 [0,0,0,0,0,0|4,0,0]=4 94 B15R2.15371 Cc1cccc(c1Sc2ccsn2)C 62a_100000033847_100009818082 [0,0,0,0,0,0|3,0,0]=3 95 B15R2.15371 Cc1cccc(c1Sc2ccsn2)C 62a_100009818082_100000033847 [0,0,0,0,0,0|3,0,0]=3 96 B15R2.15371 Cc1cccc(c1Sc2ccsn2)Cl 62a_100000043165_100009818082 [0,0,0,0,0,0|4,0,0]=4 97 B15R2.15371 Cc1cccc(c1Sc2ccsn2)Cl 62a_100009818082_100000043165 [0,0,0,0,0,0|4,0,0]=4 98 B15R2.15371 Cc1cccc(c1Sc2ccsn2)F 62a_100009818082_100011218421 [0,0,0,0,0,0|4,0,0]=4 99 B15R2.15371 Cc1cccc(c1Sc2ccsn2)F 62a_100011218421_100009818082 [0,0,0,0,0,0|4,0,0]=4 100 B15R2.15371 Cc1cccc(c1Sc2ccsn2)N 62a_100000684715_100009818082 [0,0,0,0,0,0|4,0,0]=4 101 B15R2.15371 Cc1cccc(c1Sc2ccsn2)N 62a_100009818082_100000684715 [0,0,0,0,0,0|4,0,0]=4 102 B15R2.15371 Cc1cccc(c1Sc2ccsn2)O 62a_100000686692_100009818082 [0,0,0,0,0,0|4,0,0]=4 103 B15R2.15371 Cc1cccc(c1Sc2ccsn2)O 62a_100009818082_100000686692 [0,0,0,0,0,0|4,0,0]=4 104 B15R2.15371 Cc1cccc(c1Sc2cnco2)C 62a_100000033847_100020591547 [0,0,0,0,0,0|4,0,0]=4 105 B15R2.15371 Cc1cccc(c1Sc2cnco2)C 62a_100020591547_100000033847 [0,0,0,0,0,0|4,0,0]=4 106 B15R2.15371 Cc1cccc(c1Sc2cncs2)C 62a_100000033847_100011934649 [0,0,0,0,0,0|4,0,0]=4 107 B15R2.15371 Cc1cccc(c1Sc2cncs2)C 62a_100011934649_100000033847 [0,0,0,0,0,0|4,0,0]=4 108 B15R2.15371 Cc1cccc(c1Sc2cscn2)Br 62a_100000751502_100010141302 [0,0,0,0,0,0|4,0,0]=4 109 B15R2.15371 Cc1cccc(c1Sc2cscn2)Br 62a_100010141302_100000751502 [0,0,0,0,0,0|4,0,0]=4 110 B15R2.15371 Cc1cccc(c1Sc2cscn2)C 62a_100000033847_100000751502 [0,0,0,0,0,0|3,0,0]=3 111 B15R2.15371 Cc1cccc(c1Sc2cscn2)C 62a_100000751502_100000033847 [0,0,0,0,0,0|3,0,0]=3 112 B15R2.15371 Cc1cccc(c1Sc2cscn2)Cl 62a_100000043165_100000751502 [0,0,0,0,0,0|4,0,0]=4 113 B15R2.15371 Cc1cccc(c1Sc2cscn2)Cl 62a_100000751502_100000043165 [0,0,0,0,0,0|4,0,0]=4 114 B15R2.15371 Cc1cccc(c1Sc2cscn2)F 62a_100000751502_100011218421 [0,0,0,0,0,0|4,0,0]=4 115 B15R2.15371 Cc1cccc(c1Sc2cscn2)F 62a_100011218421_100000751502 [0,0,0,0,0,0|4,0,0]=4 116 B15R2.15371 Cc1cccc(c1Sc2cscn2)N 62a_100000684715_100000751502 [0,0,0,0,0,0|4,0,0]=4 117 B15R2.15371 Cc1cccc(c1Sc2cscn2)N 62a_100000751502_100000684715 [0,0,0,0,0,0|4,0,0]=4 118 B15R2.15371 Cc1cccc(c1Sc2cscn2)O 62a_100000686692_100000751502 [0,0,0,0,0,0|4,0,0]=4 119 B15R2.15371 Cc1cccc(c1Sc2cscn2)O 62a_100000751502_100000686692 [0,0,0,0,0,0|4,0,0]=4 120 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)Br 62a_100000761765_100010141302 [0,0,0,0,0,0|3,0,1]=4 121 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)Br 62a_100010141302_100000761765 [0,0,0,0,0,0|3,0,1]=4 122 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)C 62a_100000033847_100000761765 [0,0,0,0,0,0|2,0,1]=3 123 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100000033847 [0,0,0,0,0,0|2,0,1]=3 124 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)Cl 62a_100000043165_100000761765 [0,0,0,0,0,0|3,0,1]=4 125 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)Cl 62a_100000761765_100000043165 [0,0,0,0,0,0|3,0,1]=4 126 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)F 62a_100000761765_100011218421 [0,0,0,0,0,0|3,0,1]=4 127 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)F 62a_100011218421_100000761765 [0,0,0,0,0,0|3,0,1]=4 128 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)N 62a_100000684715_100000761765 [0,0,0,0,0,0|3,0,1]=4 129 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)N 62a_100000761765_100000684715 [0,0,0,0,0,0|3,0,1]=4 130 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)O 62a_100000686692_100000761765 [0,0,0,0,0,0|3,0,1]=4 131 B15R2.15371 Cc1cccc(c1Sc2nc[nH]n2)O 62a_100000761765_100000686692 [0,0,0,0,0,0|3,0,1]=4 132 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100010141302_100025796157 [0,0,0,0,0,0|2,0,0]=2 133 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010141302 [0,0,0,0,0,0|2,0,0]=2 134 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100000033847_100025796157 [0,0,0,0,0,0|1,0,0]=1 135 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000033847 [0,0,0,0,0,0|1,0,0]=1 136 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000043165_100025796157 [0,0,0,0,0,0|2,0,0]=2 137 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000043165 [0,0,0,0,0,0|2,0,0]=2 138 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100011218421_100025796157 [0,0,0,0,0,0|2,0,0]=2 139 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100011218421 [0,0,0,0,0,0|2,0,0]=2 140 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100000684715_100025796157 [0,0,0,0,0,0|2,0,0]=2 141 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100000684715 [0,0,0,0,0,0|2,0,0]=2 142 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100000686692_100025796157 [0,0,0,0,0,0|2,0,0]=2 143 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100000686692 [0,0,0,0,0,0|2,0,0]=2 144 B15R2.15371 Cc1cccc(c1Sc2ncco2)Br 62a_100010141302_100011787736 [0,0,0,0,0,0|3,0,0]=3 145 B15R2.15371 Cc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010141302 [0,0,0,0,0,0|3,0,0]=3 146 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100000033847_100011787736 [0,0,0,0,0,0|2,0,0]=2 147 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100011787736_100000033847 [0,0,0,0,0,0|2,0,0]=2 148 B15R2.15371 Cc1cccc(c1Sc2ncco2)Cl 62a_100000043165_100011787736 [0,0,0,0,0,0|3,0,0]=3 149 B15R2.15371 Cc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000043165 [0,0,0,0,0,0|3,0,0]=3 150 B15R2.15371 Cc1cccc(c1Sc2ncco2)F 62a_100011218421_100011787736 [0,0,0,0,0,0|3,0,0]=3 151 B15R2.15371 Cc1cccc(c1Sc2ncco2)F 62a_100011787736_100011218421 [0,0,0,0,0,0|3,0,0]=3 152 B15R2.15371 Cc1cccc(c1Sc2ncco2)N 62a_100000684715_100011787736 [0,0,0,0,0,0|3,0,0]=3 153 B15R2.15371 Cc1cccc(c1Sc2ncco2)N 62a_100011787736_100000684715 [0,0,0,0,0,0|3,0,0]=3 154 B15R2.15371 Cc1cccc(c1Sc2ncco2)O 62a_100000686692_100011787736 [0,0,0,0,0,0|3,0,0]=3 155 B15R2.15371 Cc1cccc(c1Sc2ncco2)O 62a_100011787736_100000686692 [0,0,0,0,0,0|3,0,0]=3 156 B15R2.15371 Cc1cccc(c1Sc2nccs2)Br 62a_100000211983_100010141302 [0,0,0,0,0,0|3,0,0]=3 157 B15R2.15371 Cc1cccc(c1Sc2nccs2)Br 62a_100010141302_100000211983 [0,0,0,0,0,0|3,0,0]=3 158 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000033847_100000211983 [0,0,0,0,0,0|2,0,0]=2 159 B15R2.15371 Cc1cccc(c1Sc2nccs2)C 62a_100000211983_100000033847 [0,0,0,0,0,0|2,0,0]=2 160 B15R2.15371 Cc1cccc(c1Sc2nccs2)Cl 62a_100000043165_100000211983 [0,0,0,0,0,0|3,0,0]=3 161 B15R2.15371 Cc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000043165 [0,0,0,0,0,0|3,0,0]=3 162 B15R2.15371 Cc1cccc(c1Sc2nccs2)F 62a_100000211983_100011218421 [0,0,0,0,0,0|3,0,0]=3 163 B15R2.15371 Cc1cccc(c1Sc2nccs2)F 62a_100011218421_100000211983 [0,0,0,0,0,0|3,0,0]=3 164 B15R2.15371 Cc1cccc(c1Sc2nccs2)N 62a_100000211983_100000684715 [0,0,0,0,0,0|3,0,0]=3 165 B15R2.15371 Cc1cccc(c1Sc2nccs2)N 62a_100000684715_100000211983 [0,0,0,0,0,0|3,0,0]=3 166 B15R2.15371 Cc1cccc(c1Sc2nccs2)O 62a_100000211983_100000686692 [0,0,0,0,0,0|3,0,0]=3 167 B15R2.15371 Cc1cccc(c1Sc2nccs2)O 62a_100000686692_100000211983 [0,0,0,0,0,0|3,0,0]=3 168 B15R2.15371 Cc1cccc(c1Sc2ncns2)Br 62a_100000693119_100010141302 [0,0,0,0,0,0|4,0,0]=4 169 B15R2.15371 Cc1cccc(c1Sc2ncns2)Br 62a_100010141302_100000693119 [0,0,0,0,0,0|4,0,0]=4 170 B15R2.15371 Cc1cccc(c1Sc2ncns2)C 62a_100000033847_100000693119 [0,0,0,0,0,0|3,0,0]=3 171 B15R2.15371 Cc1cccc(c1Sc2ncns2)C 62a_100000693119_100000033847 [0,0,0,0,0,0|3,0,0]=3 172 B15R2.15371 Cc1cccc(c1Sc2ncns2)Cl 62a_100000043165_100000693119 [0,0,0,0,0,0|4,0,0]=4 173 B15R2.15371 Cc1cccc(c1Sc2ncns2)Cl 62a_100000693119_100000043165 [0,0,0,0,0,0|4,0,0]=4 174 B15R2.15371 Cc1cccc(c1Sc2ncns2)F 62a_100000693119_100011218421 [0,0,0,0,0,0|4,0,0]=4 175 B15R2.15371 Cc1cccc(c1Sc2ncns2)F 62a_100011218421_100000693119 [0,0,0,0,0,0|4,0,0]=4 176 B15R2.15371 Cc1cccc(c1Sc2ncns2)N 62a_100000684715_100000693119 [0,0,0,0,0,0|4,0,0]=4 177 B15R2.15371 Cc1cccc(c1Sc2ncns2)N 62a_100000693119_100000684715 [0,0,0,0,0,0|4,0,0]=4 178 B15R2.15371 Cc1cccc(c1Sc2ncns2)O 62a_100000686692_100000693119 [0,0,0,0,0,0|4,0,0]=4 179 B15R2.15371 Cc1cccc(c1Sc2ncns2)O 62a_100000693119_100000686692 [0,0,0,0,0,0|4,0,0]=4 180 B15R2.15371 Cc1cccc(c1Sc2nncs2)Br 62a_100000739804_100010141302 [0,0,0,0,0,0|4,0,0]=4 181 B15R2.15371 Cc1cccc(c1Sc2nncs2)Br 62a_100010141302_100000739804 [0,0,0,0,0,0|4,0,0]=4 182 B15R2.15371 Cc1cccc(c1Sc2nncs2)C 62a_100000033847_100000739804 [0,0,0,0,0,0|3,0,0]=3 183 B15R2.15371 Cc1cccc(c1Sc2nncs2)C 62a_100000739804_100000033847 [0,0,0,0,0,0|3,0,0]=3 184 B15R2.15371 Cc1cccc(c1Sc2nncs2)Cl 62a_100000043165_100000739804 [0,0,0,0,0,0|4,0,0]=4 185 B15R2.15371 Cc1cccc(c1Sc2nncs2)Cl 62a_100000739804_100000043165 [0,0,0,0,0,0|4,0,0]=4 186 B15R2.15371 Cc1cccc(c1Sc2nncs2)F 62a_100000739804_100011218421 [0,0,0,0,0,0|4,0,0]=4 187 B15R2.15371 Cc1cccc(c1Sc2nncs2)F 62a_100011218421_100000739804 [0,0,0,0,0,0|4,0,0]=4 188 B15R2.15371 Cc1cccc(c1Sc2nncs2)N 62a_100000684715_100000739804 [0,0,0,0,0,0|4,0,0]=4 189 B15R2.15371 Cc1cccc(c1Sc2nncs2)N 62a_100000739804_100000684715 [0,0,0,0,0,0|4,0,0]=4 190 B15R2.15371 Cc1cccc(c1Sc2nncs2)O 62a_100000686692_100000739804 [0,0,0,0,0,0|4,0,0]=4 191 B15R2.15371 Cc1cccc(c1Sc2nncs2)O 62a_100000739804_100000686692 [0,0,0,0,0,0|4,0,0]=4 192 B15R2.15371 Cc1ccnc(c1Sc2c[nH]cn2)C 62a_100000756875_100012000501 [0,0,0,0,0,0|4,0,0]=4 193 B15R2.15371 Cc1ccnc(c1Sc2c[nH]cn2)C 62a_100012000501_100000756875 [0,0,0,0,0,0|4,0,0]=4 194 B15R2.15371 Cc1ccnc(c1Sc2cc[nH]n2)C 62a_100000062575_100012000501 [0,0,0,0,0,0|4,0,0]=4 195 B15R2.15371 Cc1ccnc(c1Sc2cc[nH]n2)C 62a_100012000501_100000062575 [0,0,0,0,0,0|4,0,0]=4 196 B15R2.15371 Cc1ccnc(c1Sc2ccco2)C 62a_100009814098_100012000501 [0,0,0,0,0,0|4,0,0]=4 197 B15R2.15371 Cc1ccnc(c1Sc2ccco2)C 62a_100012000501_100009814098 [0,0,0,0,0,0|4,0,0]=4 198 B15R2.15371 Cc1ccnc(c1Sc2cccs2)C 62a_100011215356_100012000501 [0,0,0,0,0,0|4,0,0]=4 199 B15R2.15371 Cc1ccnc(c1Sc2cccs2)C 62a_100012000501_100011215356 [0,0,0,0,0,0|4,0,0]=4 200 B15R2.15371 Cc1ccnc(c1Sc2ccon2)C 62a_100009818083_100012000501 [0,0,0,0,0,0|4,0,0]=4 201 B15R2.15371 Cc1ccnc(c1Sc2ccon2)C 62a_100012000501_100009818083 [0,0,0,0,0,0|4,0,0]=4 202 B15R2.15371 Cc1ccnc(c1Sc2ccsn2)C 62a_100009818082_100012000501 [0,0,0,0,0,0|4,0,0]=4 203 B15R2.15371 Cc1ccnc(c1Sc2ccsn2)C 62a_100012000501_100009818082 [0,0,0,0,0,0|4,0,0]=4 204 B15R2.15371 Cc1ccnc(c1Sc2cscn2)C 62a_100000751502_100012000501 [0,0,0,0,0,0|4,0,0]=4 205 B15R2.15371 Cc1ccnc(c1Sc2cscn2)C 62a_100012000501_100000751502 [0,0,0,0,0,0|4,0,0]=4 206 B15R2.15371 Cc1ccnc(c1Sc2nc[nH]n2)C 62a_100000761765_100012000501 [0,0,0,0,0,0|3,0,1]=4 207 B15R2.15371 Cc1ccnc(c1Sc2nc[nH]n2)C 62a_100012000501_100000761765 [0,0,0,0,0,0|3,0,1]=4 208 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100012000501_100025796157 [0,0,0,0,0,0|2,0,0]=2 209 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)C 62a_100025796157_100012000501 [0,0,0,0,0,0|2,0,0]=2 210 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100010248874_100025796157 [0,0,0,0,0,0|3,0,0]=3 211 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100010248874 [0,0,0,0,0,0|3,0,0]=3 212 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)F 62a_100009818256_100025796157 [0,0,0,0,0,0|3,0,0]=3 213 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)F 62a_100025796157_100009818256 [0,0,0,0,0,0|3,0,0]=3 214 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)N 62a_100011998619_100025796157 [0,0,0,0,0,0|3,0,0]=3 215 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)N 62a_100025796157_100011998619 [0,0,0,0,0,0|3,0,0]=3 216 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)O 62a_100012000493_100025796157 [0,0,0,0,0,0|3,0,0]=3 217 B15R2.15371 Cc1ccnc(c1Sc2ncc[nH]2)O 62a_100025796157_100012000493 [0,0,0,0,0,0|3,0,0]=3 218 B15R2.15371 Cc1ccnc(c1Sc2ncco2)C 62a_100011787736_100012000501 [0,0,0,0,0,0|3,0,0]=3 219 B15R2.15371 Cc1ccnc(c1Sc2ncco2)C 62a_100012000501_100011787736 [0,0,0,0,0,0|3,0,0]=3 220 B15R2.15371 Cc1ccnc(c1Sc2ncco2)Cl 62a_100010248874_100011787736 [0,0,0,0,0,0|4,0,0]=4 221 B15R2.15371 Cc1ccnc(c1Sc2ncco2)Cl 62a_100011787736_100010248874 [0,0,0,0,0,0|4,0,0]=4 222 B15R2.15371 Cc1ccnc(c1Sc2ncco2)F 62a_100009818256_100011787736 [0,0,0,0,0,0|4,0,0]=4 223 B15R2.15371 Cc1ccnc(c1Sc2ncco2)F 62a_100011787736_100009818256 [0,0,0,0,0,0|4,0,0]=4 224 B15R2.15371 Cc1ccnc(c1Sc2ncco2)N 62a_100011787736_100011998619 [0,0,0,0,0,0|4,0,0]=4 225 B15R2.15371 Cc1ccnc(c1Sc2ncco2)N 62a_100011998619_100011787736 [0,0,0,0,0,0|4,0,0]=4 226 B15R2.15371 Cc1ccnc(c1Sc2ncco2)O 62a_100011787736_100012000493 [0,0,0,0,0,0|4,0,0]=4 227 B15R2.15371 Cc1ccnc(c1Sc2ncco2)O 62a_100012000493_100011787736 [0,0,0,0,0,0|4,0,0]=4 228 B15R2.15371 Cc1ccnc(c1Sc2nccs2)C 62a_100000211983_100012000501 [0,0,0,0,0,0|3,0,0]=3 229 B15R2.15371 Cc1ccnc(c1Sc2nccs2)C 62a_100012000501_100000211983 [0,0,0,0,0,0|3,0,0]=3 230 B15R2.15371 Cc1ccnc(c1Sc2nccs2)Cl 62a_100000211983_100010248874 [0,0,0,0,0,0|4,0,0]=4 231 B15R2.15371 Cc1ccnc(c1Sc2nccs2)Cl 62a_100010248874_100000211983 [0,0,0,0,0,0|4,0,0]=4 232 B15R2.15371 Cc1ccnc(c1Sc2nccs2)F 62a_100000211983_100009818256 [0,0,0,0,0,0|4,0,0]=4 233 B15R2.15371 Cc1ccnc(c1Sc2nccs2)F 62a_100009818256_100000211983 [0,0,0,0,0,0|4,0,0]=4 234 B15R2.15371 Cc1ccnc(c1Sc2nccs2)N 62a_100000211983_100011998619 [0,0,0,0,0,0|4,0,0]=4 235 B15R2.15371 Cc1ccnc(c1Sc2nccs2)N 62a_100011998619_100000211983 [0,0,0,0,0,0|4,0,0]=4 236 B15R2.15371 Cc1ccnc(c1Sc2nccs2)O 62a_100000211983_100012000493 [0,0,0,0,0,0|4,0,0]=4 237 B15R2.15371 Cc1ccnc(c1Sc2nccs2)O 62a_100012000493_100000211983 [0,0,0,0,0,0|4,0,0]=4 238 B15R2.15371 Cc1ccnc(c1Sc2ncns2)C 62a_100000693119_100012000501 [0,0,0,0,0,0|4,0,0]=4 239 B15R2.15371 Cc1ccnc(c1Sc2ncns2)C 62a_100012000501_100000693119 [0,0,0,0,0,0|4,0,0]=4 240 B15R2.15371 Cc1ccnc(c1Sc2nncs2)C 62a_100000739804_100012000501 [0,0,0,0,0,0|4,0,0]=4 241 B15R2.15371 Cc1ccnc(c1Sc2nncs2)C 62a_100012000501_100000739804 [0,0,0,0,0,0|4,0,0]=4 242 B15R2.15371 Cc1cncc(c1Sc2c[nH]cn2)C 62a_100000756875_100009817138 [0,0,0,0,0,0|4,0,0]=4 243 B15R2.15371 Cc1cncc(c1Sc2c[nH]cn2)C 62a_100009817138_100000756875 [0,0,0,0,0,0|4,0,0]=4 244 B15R2.15371 Cc1cncc(c1Sc2cc[nH]n2)C 62a_100000062575_100009817138 [0,0,0,0,0,0|4,0,0]=4 245 B15R2.15371 Cc1cncc(c1Sc2cc[nH]n2)C 62a_100009817138_100000062575 [0,0,0,0,0,0|4,0,0]=4 246 B15R2.15371 Cc1cncc(c1Sc2ccco2)C 62a_100009814098_100009817138 [0,0,0,0,0,0|4,0,0]=4 247 B15R2.15371 Cc1cncc(c1Sc2ccco2)C 62a_100009817138_100009814098 [0,0,0,0,0,0|4,0,0]=4 248 B15R2.15371 Cc1cncc(c1Sc2cccs2)C 62a_100009817138_100011215356 [0,0,0,0,0,0|4,0,0]=4 249 B15R2.15371 Cc1cncc(c1Sc2cccs2)C 62a_100011215356_100009817138 [0,0,0,0,0,0|4,0,0]=4 250 B15R2.15371 Cc1cncc(c1Sc2ccon2)C 62a_100009817138_100009818083 [0,0,0,0,0,0|4,0,0]=4 251 B15R2.15371 Cc1cncc(c1Sc2ccon2)C 62a_100009818083_100009817138 [0,0,0,0,0,0|4,0,0]=4 252 B15R2.15371 Cc1cncc(c1Sc2ccsn2)C 62a_100009817138_100009818082 [0,0,0,0,0,0|4,0,0]=4 253 B15R2.15371 Cc1cncc(c1Sc2ccsn2)C 62a_100009818082_100009817138 [0,0,0,0,0,0|4,0,0]=4 254 B15R2.15371 Cc1cncc(c1Sc2cscn2)C 62a_100000751502_100009817138 [0,0,0,0,0,0|4,0,0]=4 255 B15R2.15371 Cc1cncc(c1Sc2cscn2)C 62a_100009817138_100000751502 [0,0,0,0,0,0|4,0,0]=4 256 B15R2.15371 Cc1cncc(c1Sc2nc[nH]n2)C 62a_100000761765_100009817138 [0,0,0,0,0,0|3,0,1]=4 257 B15R2.15371 Cc1cncc(c1Sc2nc[nH]n2)C 62a_100009817138_100000761765 [0,0,0,0,0,0|3,0,1]=4 258 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100009817138_100025796157 [0,0,0,0,0,0|2,0,0]=2 259 B15R2.15371 Cc1cncc(c1Sc2ncc[nH]2)C 62a_100025796157_100009817138 [0,0,0,0,0,0|2,0,0]=2 260 B15R2.15371 Cc1cncc(c1Sc2ncco2)C 62a_100009817138_100011787736 [0,0,0,0,0,0|3,0,0]=3 261 B15R2.15371 Cc1cncc(c1Sc2ncco2)C 62a_100011787736_100009817138 [0,0,0,0,0,0|3,0,0]=3 262 B15R2.15371 Cc1cncc(c1Sc2nccs2)C 62a_100000211983_100009817138 [0,0,0,0,0,0|3,0,0]=3 263 B15R2.15371 Cc1cncc(c1Sc2nccs2)C 62a_100009817138_100000211983 [0,0,0,0,0,0|3,0,0]=3 264 B15R2.15371 Cc1cncc(c1Sc2ncns2)C 62a_100000693119_100009817138 [0,0,0,0,0,0|4,0,0]=4 265 B15R2.15371 Cc1cncc(c1Sc2ncns2)C 62a_100009817138_100000693119 [0,0,0,0,0,0|4,0,0]=4 266 B15R2.15371 Cc1cncc(c1Sc2nncs2)C 62a_100000739804_100009817138 [0,0,0,0,0,0|4,0,0]=4 267 B15R2.15371 Cc1cncc(c1Sc2nncs2)C 62a_100009817138_100000739804 [0,0,0,0,0,0|4,0,0]=4 268 B15R2.15371 Cc1nc[nH]c(=O)c1Sc2ncc[nH]2 62a_100011356812_100025796157 [0,0,0,0,0,0|4,0,0]=4 269 B15R2.15371 Cc1nc[nH]c(=O)c1Sc2ncc[nH]2 62a_100025796157_100011356812 [0,0,0,0,0,0|4,0,0]=4 270 B15R2.15371 Cc1nccc(c1Sc2ncc[nH]2)N 62a_100010243816_100025796157 [0,0,0,0,0,0|3,0,0]=3 271 B15R2.15371 Cc1nccc(c1Sc2ncc[nH]2)N 62a_100025796157_100010243816 [0,0,0,0,0,0|3,0,0]=3 272 B15R2.15371 Cc1nccc(c1Sc2ncco2)N 62a_100010243816_100011787736 [0,0,0,0,0,0|4,0,0]=4 273 B15R2.15371 Cc1nccc(c1Sc2ncco2)N 62a_100011787736_100010243816 [0,0,0,0,0,0|4,0,0]=4 274 B15R2.15371 Cc1nccc(c1Sc2nccs2)N 62a_100000211983_100010243816 [0,0,0,0,0,0|4,0,0]=4 275 B15R2.15371 Cc1nccc(c1Sc2nccs2)N 62a_100010243816_100000211983 [0,0,0,0,0,0|4,0,0]=4 276 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)C 62a_100009820708_100025796157 [0,0,0,0,0,0|3,0,0]=3 277 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)C 62a_100025796157_100009820708 [0,0,0,0,0,0|3,0,0]=3 278 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)Cl 62a_100012356128_100025796157 [0,0,0,0,0,0|4,0,0]=4 279 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100012356128 [0,0,0,0,0,0|4,0,0]=4 280 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)N 62a_100011996190_100025796157 [0,0,0,0,0,0|4,0,0]=4 281 B15R2.15371 Cc1ncnc(c1Sc2ncc[nH]2)N 62a_100025796157_100011996190 [0,0,0,0,0,0|4,0,0]=4 282 B15R2.15371 Cc1ncnc(c1Sc2ncco2)C 62a_100009820708_100011787736 [0,0,0,0,0,0|4,0,0]=4 283 B15R2.15371 Cc1ncnc(c1Sc2ncco2)C 62a_100011787736_100009820708 [0,0,0,0,0,0|4,0,0]=4 284 B15R2.15371 Cc1ncnc(c1Sc2nccs2)C 62a_100000211983_100009820708 [0,0,0,0,0,0|4,0,0]=4 285 B15R2.15371 Cc1ncnc(c1Sc2nccs2)C 62a_100009820708_100000211983 [0,0,0,0,0,0|4,0,0]=4 286 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Br 62a_100010214488_100025796157 [0,0,0,0,0,0|3,0,0]=3 287 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010214488 [0,0,0,0,0,0|3,0,0]=3 288 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000034237_100025796157 [0,0,0,0,0,0|3,0,0]=3 289 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000034237 [0,0,0,0,0,0|3,0,0]=3 290 B15R2.15371 Clc1cccc(c1Sc2ncco2)Br 62a_100010214488_100011787736 [0,0,0,0,0,0|4,0,0]=4 291 B15R2.15371 Clc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010214488 [0,0,0,0,0,0|4,0,0]=4 292 B15R2.15371 Clc1cccc(c1Sc2ncco2)Cl 62a_100000034237_100011787736 [0,0,0,0,0,0|4,0,0]=4 293 B15R2.15371 Clc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000034237 [0,0,0,0,0,0|4,0,0]=4 294 B15R2.15371 Clc1cccc(c1Sc2nccs2)Br 62a_100000211983_100010214488 [0,0,0,0,0,0|4,0,0]=4 295 B15R2.15371 Clc1cccc(c1Sc2nccs2)Br 62a_100010214488_100000211983 [0,0,0,0,0,0|4,0,0]=4 296 B15R2.15371 Clc1cccc(c1Sc2nccs2)Cl 62a_100000034237_100000211983 [0,0,0,0,0,0|4,0,0]=4 297 B15R2.15371 Clc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000034237 [0,0,0,0,0,0|4,0,0]=4 298 B15R2.15371 Clc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100000050019_100025796157 [0,0,0,0,0,0|4,0,0]=4 299 B15R2.15371 Clc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050019 [0,0,0,0,0,0|4,0,0]=4 300 B15R2.15371 Clc1cncc(c1Sc2ncc[nH]2)Cl 62a_100000036193_100025796157 [0,0,0,0,0,0|4,0,0]=4 301 B15R2.15371 Clc1cncc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000036193 [0,0,0,0,0,0|4,0,0]=4 302 B15R2.15371 Clc1nccc(c1Sc2ncc[nH]2)Br 62a_100009814607_100025796157 [0,0,0,0,0,0|4,0,0]=4 303 B15R2.15371 Clc1nccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100009814607 [0,0,0,0,0,0|4,0,0]=4 304 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Br 62a_100011219512_100025796157 [0,0,0,0,0,0|3,0,0]=3 305 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100011219512 [0,0,0,0,0,0|3,0,0]=3 306 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000050007_100025796157 [0,0,0,0,0,0|3,0,0]=3 307 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050007 [0,0,0,0,0,0|3,0,0]=3 308 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)F 62a_100000693133_100025796157 [0,0,0,0,0,0|3,0,0]=3 309 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100000693133 [0,0,0,0,0,0|3,0,0]=3 310 B15R2.15371 Fc1cccc(c1Sc2ncco2)Br 62a_100011219512_100011787736 [0,0,0,0,0,0|4,0,0]=4 311 B15R2.15371 Fc1cccc(c1Sc2ncco2)Br 62a_100011787736_100011219512 [0,0,0,0,0,0|4,0,0]=4 312 B15R2.15371 Fc1cccc(c1Sc2ncco2)Cl 62a_100000050007_100011787736 [0,0,0,0,0,0|4,0,0]=4 313 B15R2.15371 Fc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000050007 [0,0,0,0,0,0|4,0,0]=4 314 B15R2.15371 Fc1cccc(c1Sc2ncco2)F 62a_100000693133_100011787736 [0,0,0,0,0,0|4,0,0]=4 315 B15R2.15371 Fc1cccc(c1Sc2ncco2)F 62a_100011787736_100000693133 [0,0,0,0,0,0|4,0,0]=4 316 B15R2.15371 Fc1cccc(c1Sc2nccs2)Br 62a_100000211983_100011219512 [0,0,0,0,0,0|4,0,0]=4 317 B15R2.15371 Fc1cccc(c1Sc2nccs2)Br 62a_100011219512_100000211983 [0,0,0,0,0,0|4,0,0]=4 318 B15R2.15371 Fc1cccc(c1Sc2nccs2)Cl 62a_100000050007_100000211983 [0,0,0,0,0,0|4,0,0]=4 319 B15R2.15371 Fc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000050007 [0,0,0,0,0,0|4,0,0]=4 320 B15R2.15371 Fc1cccc(c1Sc2nccs2)F 62a_100000211983_100000693133 [0,0,0,0,0,0|4,0,0]=4 321 B15R2.15371 Fc1cccc(c1Sc2nccs2)F 62a_100000693133_100000211983 [0,0,0,0,0,0|4,0,0]=4 322 B15R2.15371 Fc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100000716511_100025796157 [0,0,0,0,0,0|4,0,0]=4 323 B15R2.15371 Fc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000716511 [0,0,0,0,0,0|4,0,0]=4 324 B15R2.15371 Fc1ccnc(c1Sc2ncc[nH]2)F 62a_100009874084_100025796157 [0,0,0,0,0,0|4,0,0]=4 325 B15R2.15371 Fc1ccnc(c1Sc2ncc[nH]2)F 62a_100025796157_100009874084 [0,0,0,0,0,0|4,0,0]=4 326 B15R2.15371 Fc1cncc(c1Sc2ncc[nH]2)F 62a_100000760538_100025796157 [0,0,0,0,0,0|4,0,0]=4 327 B15R2.15371 Fc1cncc(c1Sc2ncc[nH]2)F 62a_100025796157_100000760538 [0,0,0,0,0,0|4,0,0]=4 328 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Br 62a_100020590159_100025796157 [0,0,0,0,0,0|3,0,0]=3 329 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100020590159 [0,0,0,0,0,0|3,0,0]=3 330 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000049713_100025796157 [0,0,0,0,0,0|3,0,0]=3 331 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000049713 [0,0,0,0,0,0|3,0,0]=3 332 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)F 62a_100000690935_100025796157 [0,0,0,0,0,0|3,0,0]=3 333 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100000690935 [0,0,0,0,0,0|3,0,0]=3 334 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)O 62a_100012183704_100025796157 [0,0,0,0,0,0|3,0,0]=3 335 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100012183704 [0,0,0,0,0,0|3,0,0]=3 336 B15R2.15371 Nc1cccc(c1Sc2ncco2)Br 62a_100011787736_100020590159 [0,0,0,0,0,0|4,0,0]=4 337 B15R2.15371 Nc1cccc(c1Sc2ncco2)Br 62a_100020590159_100011787736 [0,0,0,0,0,0|4,0,0]=4 338 B15R2.15371 Nc1cccc(c1Sc2ncco2)Cl 62a_100000049713_100011787736 [0,0,0,0,0,0|4,0,0]=4 339 B15R2.15371 Nc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000049713 [0,0,0,0,0,0|4,0,0]=4 340 B15R2.15371 Nc1cccc(c1Sc2ncco2)F 62a_100000690935_100011787736 [0,0,0,0,0,0|4,0,0]=4 341 B15R2.15371 Nc1cccc(c1Sc2ncco2)F 62a_100011787736_100000690935 [0,0,0,0,0,0|4,0,0]=4 342 B15R2.15371 Nc1cccc(c1Sc2ncco2)O 62a_100011787736_100012183704 [0,0,0,0,0,0|4,0,0]=4 343 B15R2.15371 Nc1cccc(c1Sc2ncco2)O 62a_100012183704_100011787736 [0,0,0,0,0,0|4,0,0]=4 344 B15R2.15371 Nc1cccc(c1Sc2nccs2)Br 62a_100000211983_100020590159 [0,0,0,0,0,0|4,0,0]=4 345 B15R2.15371 Nc1cccc(c1Sc2nccs2)Br 62a_100020590159_100000211983 [0,0,0,0,0,0|4,0,0]=4 346 B15R2.15371 Nc1cccc(c1Sc2nccs2)Cl 62a_100000049713_100000211983 [0,0,0,0,0,0|4,0,0]=4 347 B15R2.15371 Nc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000049713 [0,0,0,0,0,0|4,0,0]=4 348 B15R2.15371 Nc1cccc(c1Sc2nccs2)F 62a_100000211983_100000690935 [0,0,0,0,0,0|4,0,0]=4 349 B15R2.15371 Nc1cccc(c1Sc2nccs2)F 62a_100000690935_100000211983 [0,0,0,0,0,0|4,0,0]=4 350 B15R2.15371 Nc1cccc(c1Sc2nccs2)O 62a_100000211983_100012183704 [0,0,0,0,0,0|4,0,0]=4 351 B15R2.15371 Nc1cccc(c1Sc2nccs2)O 62a_100012183704_100000211983 [0,0,0,0,0,0|4,0,0]=4 352 B15R2.15371 Nc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100010208016_100025796157 [0,0,0,0,0,0|4,0,0]=4 353 B15R2.15371 Nc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100010208016 [0,0,0,0,0,0|4,0,0]=4 354 B15R2.15371 Nc1ccnc(c1Sc2ncc[nH]2)F 62a_100010381272_100025796157 [0,0,0,0,0,0|4,0,0]=4 355 B15R2.15371 Nc1ccnc(c1Sc2ncc[nH]2)F 62a_100025796157_100010381272 [0,0,0,0,0,0|4,0,0]=4 356 B15R2.15371 Nc1nccc(c1Sc2ncc[nH]2)Cl 62a_100010199028_100025796157 [0,0,0,0,0,0|4,0,0]=4 357 B15R2.15371 Nc1nccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100010199028 [0,0,0,0,0,0|4,0,0]=4 358 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)Br 62a_100010187912_100025796157 [0,0,0,0,0,0|3,0,0]=3 359 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010187912 [0,0,0,0,0,0|3,0,0]=3 360 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050174 [0,0,0,0,0,0|3,0,0]=3 361 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)F 62a_100009820682_100025796157 [0,0,0,0,0,0|3,0,0]=3 362 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100009820682 [0,0,0,0,0,0|3,0,0]=3 363 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100010205330 [0,0,0,0,0,0|3,0,0]=3 364 B15R2.15371 Oc1cccc(c1Sc2ncco2)Br 62a_100010187912_100011787736 [0,0,0,0,0,0|4,0,0]=4 365 B15R2.15371 Oc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010187912 [0,0,0,0,0,0|4,0,0]=4 366 B15R2.15371 Oc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000050174 [0,0,0,0,0,0|4,0,0]=4 367 B15R2.15371 Oc1cccc(c1Sc2ncco2)F 62a_100009820682_100011787736 [0,0,0,0,0,0|4,0,0]=4 368 B15R2.15371 Oc1cccc(c1Sc2ncco2)F 62a_100011787736_100009820682 [0,0,0,0,0,0|4,0,0]=4 369 B15R2.15371 Oc1cccc(c1Sc2ncco2)O 62a_100011787736_100010205330 [0,0,0,0,0,0|4,0,0]=4 370 B15R2.15371 Oc1cccc(c1Sc2nccs2)Br 62a_100000211983_100010187912 [0,0,0,0,0,0|4,0,0]=4 371 B15R2.15371 Oc1cccc(c1Sc2nccs2)Br 62a_100010187912_100000211983 [0,0,0,0,0,0|4,0,0]=4 372 B15R2.15371 Oc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000050174 [0,0,0,0,0,0|4,0,0]=4 373 B15R2.15371 Oc1cccc(c1Sc2nccs2)F 62a_100000211983_100009820682 [0,0,0,0,0,0|4,0,0]=4 374 B15R2.15371 Oc1cccc(c1Sc2nccs2)F 62a_100009820682_100000211983 [0,0,0,0,0,0|4,0,0]=4 375 B15R2.15371 Oc1cccc(c1Sc2nccs2)O 62a_100000211983_100010205330 [0,0,0,0,0,0|4,0,0]=4 376 B15R2.15371 Oc1ccnc(c1Sc2ncc[nH]2)O 62a_100025796157_200009817435 [0,0,0,0,0,0|4,0,0]=4 377 B14R2.50 Brc1ccccc1Sc2ncc[nH]2 62a_100000695589_100025796157 [1,0,0,0,0,0|2,0,0]=3 378 B14R2.50 Brc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000695589 [1,0,0,0,0,0|2,0,0]=3 379 B14R2.50 Brc1ccccc1Sc2ncco2 62a_100000695589_100011787736 [1,0,0,0,0,0|3,0,0]=4 380 B14R2.50 Brc1ccccc1Sc2ncco2 62a_100011787736_100000695589 [1,0,0,0,0,0|3,0,0]=4 381 B14R2.50 Brc1ccccc1Sc2nccs2 62a_100000211983_100000695589 [1,0,0,0,0,0|3,0,0]=4 382 B14R2.50 Brc1ccccc1Sc2nccs2 62a_100000695589_100000211983 [1,0,0,0,0,0|3,0,0]=4 383 B14R2.50 Brc1cccnc1Sc2ncc[nH]2 62a_100000696092_100025796157 [1,0,0,0,0,0|3,0,0]=4 384 B14R2.50 Brc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000696092 [1,0,0,0,0,0|3,0,0]=4 385 B14R2.50 Brc1ccncc1Sc2ncc[nH]2 62a_100010138639_100025796157 [1,0,0,0,0,0|3,0,0]=4 386 B14R2.50 Brc1ccncc1Sc2ncc[nH]2 62a_100025796157_100010138639 [1,0,0,0,0,0|3,0,0]=4 387 B14R2.50 Brc1cnccc1Sc2ncc[nH]2 62a_100000726257_100025796157 [1,0,0,0,0,0|3,0,0]=4 388 B14R2.50 Brc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000726257 [1,0,0,0,0,0|3,0,0]=4 389 B14R2.50 Brc1ncccc1Sc2ncc[nH]2 62a_100010202626_100025796157 [1,0,0,0,0,0|3,0,0]=4 390 B14R2.50 Brc1ncccc1Sc2ncc[nH]2 62a_100025796157_100010202626 [1,0,0,0,0,0|3,0,0]=4 391 B14R2.50 C[n+]1ccccc1Sc2ncc[nH]2 62a_100025796157_100000212160 [1,0,0,0,0,0|2,0,0]=3 392 B14R2.50 C[n+]1ccccc1Sc2ncco2 62a_100011787736_100000212160 [1,0,0,0,0,0|3,0,0]=4 393 B14R2.50 C[n+]1ccccc1Sc2nccs2 62a_100000211983_100000212160 [1,0,0,0,0,0|3,0,0]=4 394 B14R2.50 Cc1ccccc1CN2CC=CC2 269982a_100015195280_100000211839 [1,0,0,0,0,0|3,0,0]=4 395 B14R2.50 Cc1ccccc1Nc2ncns2 27a_100015192222_100000693119 [1,0,0,0,0,0|3,0,0]=4 396 B14R2.50 Cc1ccccc1Nc2nncs2 27a_100015192222_100000739804 [1,0,0,0,0,0|3,0,0]=4 397 B14R2.50 Cc1ccccc1Sc2c[nH]cn2 62a_100000210755_100000756875 [1,0,0,0,0,0|3,0,0]=4 398 B14R2.50 Cc1ccccc1Sc2c[nH]cn2 62a_100000756875_100000210755 [1,0,0,0,0,0|3,0,0]=4 399 B14R2.50 Cc1ccccc1Sc2cc[nH]n2 62a_100000062575_100000210755 [1,0,0,0,0,0|3,0,0]=4 400 B14R2.50 Cc1ccccc1Sc2cc[nH]n2 62a_100000210755_100000062575 [1,0,0,0,0,0|3,0,0]=4 401 B14R2.50 Cc1ccccc1Sc2ccco2 62a_100000210755_100009814098 [1,0,0,0,0,0|3,0,0]=4 402 B14R2.50 Cc1ccccc1Sc2ccco2 62a_100009814098_100000210755 [1,0,0,0,0,0|3,0,0]=4 403 B14R2.50 Cc1ccccc1Sc2cccs2 62a_100000210755_100011215356 [1,0,0,0,0,0|3,0,0]=4 404 B14R2.50 Cc1ccccc1Sc2cccs2 62a_100011215356_100000210755 [1,0,0,0,0,0|3,0,0]=4 405 B14R2.50 Cc1ccccc1Sc2ccon2 62a_100000210755_100009818083 [1,0,0,0,0,0|3,0,0]=4 406 B14R2.50 Cc1ccccc1Sc2ccon2 62a_100009818083_100000210755 [1,0,0,0,0,0|3,0,0]=4 407 B14R2.50 Cc1ccccc1Sc2ccsn2 62a_100000210755_100009818082 [1,0,0,0,0,0|3,0,0]=4 408 B14R2.50 Cc1ccccc1Sc2ccsn2 62a_100009818082_100000210755 [1,0,0,0,0,0|3,0,0]=4 409 B14R2.50 Cc1ccccc1Sc2cscn2 62a_100000210755_100000751502 [1,0,0,0,0,0|3,0,0]=4 410 B14R2.50 Cc1ccccc1Sc2cscn2 62a_100000751502_100000210755 [1,0,0,0,0,0|3,0,0]=4 411 B14R2.50 Cc1ccccc1Sc2nc[nH]n2 62a_100000210755_100000761765 [1,0,0,0,0,0|2,0,1]=4 412 B14R2.50 Cc1ccccc1Sc2nc[nH]n2 62a_100000761765_100000210755 [1,0,0,0,0,0|2,0,1]=4 413 B14R2.50 Cc1ccccc1Sc2ncc[nH]2 62a_100000210755_100025796157 [1,0,0,0,0,0|1,0,0]=2 414 B14R2.50 Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210755 [1,0,0,0,0,0|1,0,0]=2 415 B14R2.50 Cc1ccccc1Sc2ncco2 62a_100000210755_100011787736 [1,0,0,0,0,0|2,0,0]=3 416 B14R2.50 Cc1ccccc1Sc2ncco2 62a_100011787736_100000210755 [1,0,0,0,0,0|2,0,0]=3 417 B14R2.50 Cc1ccccc1Sc2nccs2 62a_100000210755_100000211983 [1,0,0,0,0,0|2,0,0]=3 418 B14R2.50 Cc1ccccc1Sc2nccs2 62a_100000211983_100000210755 [1,0,0,0,0,0|2,0,0]=3 419 B14R2.50 Cc1ccccc1Sc2ncns2 62a_100000210755_100000693119 [1,0,0,0,0,0|3,0,0]=4 420 B14R2.50 Cc1ccccc1Sc2ncns2 62a_100000693119_100000210755 [1,0,0,0,0,0|3,0,0]=4 421 B14R2.50 Cc1ccccc1Sc2nncs2 62a_100000210755_100000739804 [1,0,0,0,0,0|3,0,0]=4 422 B14R2.50 Cc1ccccc1Sc2nncs2 62a_100000739804_100000210755 [1,0,0,0,0,0|3,0,0]=4 423 B14R2.50 Cc1cccnc1Sc2ncc[nH]2 62a_100000751373_100025796157 [1,0,0,0,0,0|2,0,0]=3 424 B14R2.50 Cc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000751373 [1,0,0,0,0,0|2,0,0]=3 425 B14R2.50 Cc1cccnc1Sc2ncco2 62a_100000751373_100011787736 [1,0,0,0,0,0|3,0,0]=4 426 B14R2.50 Cc1cccnc1Sc2ncco2 62a_100011787736_100000751373 [1,0,0,0,0,0|3,0,0]=4 427 B14R2.50 Cc1cccnc1Sc2nccs2 62a_100000211983_100000751373 [1,0,0,0,0,0|3,0,0]=4 428 B14R2.50 Cc1cccnc1Sc2nccs2 62a_100000751373_100000211983 [1,0,0,0,0,0|3,0,0]=4 429 B14R2.50 Cc1ccncc1Sc2ncc[nH]2 62a_100000761580_100025796157 [1,0,0,0,0,0|2,0,0]=3 430 B14R2.50 Cc1ccncc1Sc2ncc[nH]2 62a_100025796157_100000761580 [1,0,0,0,0,0|2,0,0]=3 431 B14R2.50 Cc1ccncc1Sc2ncco2 62a_100000761580_100011787736 [1,0,0,0,0,0|3,0,0]=4 432 B14R2.50 Cc1ccncc1Sc2ncco2 62a_100011787736_100000761580 [1,0,0,0,0,0|3,0,0]=4 433 B14R2.50 Cc1ccncc1Sc2nccs2 62a_100000211983_100000761580 [1,0,0,0,0,0|3,0,0]=4 434 B14R2.50 Cc1ccncc1Sc2nccs2 62a_100000761580_100000211983 [1,0,0,0,0,0|3,0,0]=4 435 B14R2.50 Cc1ccnnc1Sc2ncc[nH]2 62a_100025796157_100000089043 [1,0,0,0,0,0|3,0,0]=4 436 B14R2.50 Cc1cnccc1Sc2ncc[nH]2 62a_100000765111_100025796157 [1,0,0,0,0,0|2,0,0]=3 437 B14R2.50 Cc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000765111 [1,0,0,0,0,0|2,0,0]=3 438 B14R2.50 Cc1cnccc1Sc2ncco2 62a_100000765111_100011787736 [1,0,0,0,0,0|3,0,0]=4 439 B14R2.50 Cc1cnccc1Sc2ncco2 62a_100011787736_100000765111 [1,0,0,0,0,0|3,0,0]=4 440 B14R2.50 Cc1cnccc1Sc2nccs2 62a_100000211983_100000765111 [1,0,0,0,0,0|3,0,0]=4 441 B14R2.50 Cc1cnccc1Sc2nccs2 62a_100000765111_100000211983 [1,0,0,0,0,0|3,0,0]=4 442 B14R2.50 Cc1cncnc1Sc2ncc[nH]2 62a_100011998708_100025796157 [1,0,0,0,0,0|3,0,0]=4 443 B14R2.50 Cc1cncnc1Sc2ncc[nH]2 62a_100025796157_100011998708 [1,0,0,0,0,0|3,0,0]=4 444 B14R2.50 Cc1ncccc1Sc2ncc[nH]2 62a_100000751574_100025796157 [1,0,0,0,0,0|2,0,0]=3 445 B14R2.50 Cc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000751574 [1,0,0,0,0,0|2,0,0]=3 446 B14R2.50 Cc1ncccc1Sc2ncco2 62a_100000751574_100011787736 [1,0,0,0,0,0|3,0,0]=4 447 B14R2.50 Cc1ncccc1Sc2ncco2 62a_100011787736_100000751574 [1,0,0,0,0,0|3,0,0]=4 448 B14R2.50 Cc1ncccc1Sc2nccs2 62a_100000211983_100000751574 [1,0,0,0,0,0|3,0,0]=4 449 B14R2.50 Cc1ncccc1Sc2nccs2 62a_100000751574_100000211983 [1,0,0,0,0,0|3,0,0]=4 450 B14R2.50 Cc1nccnc1Sc2ncc[nH]2 62a_100011999405_100025796157 [1,0,0,0,0,0|3,0,0]=4 451 B14R2.50 Cc1nccnc1Sc2ncc[nH]2 62a_100025796157_100011999405 [1,0,0,0,0,0|3,0,0]=4 452 B14R2.50 Cc1ncncc1Sc2ncc[nH]2 62a_100009819671_100025796157 [1,0,0,0,0,0|3,0,0]=4 453 B14R2.50 Cc1ncncc1Sc2ncc[nH]2 62a_100025796157_100009819671 [1,0,0,0,0,0|3,0,0]=4 454 B14R2.50 Clc1ccccc1Sc2ncc[nH]2 62a_100000764095_100025796157 [1,0,0,0,0,0|2,0,0]=3 455 B14R2.50 Clc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000764095 [1,0,0,0,0,0|2,0,0]=3 456 B14R2.50 Clc1ccccc1Sc2ncco2 62a_100000764095_100011787736 [1,0,0,0,0,0|3,0,0]=4 457 B14R2.50 Clc1ccccc1Sc2ncco2 62a_100011787736_100000764095 [1,0,0,0,0,0|3,0,0]=4 458 B14R2.50 Clc1ccccc1Sc2nccs2 62a_100000211983_100000764095 [1,0,0,0,0,0|3,0,0]=4 459 B14R2.50 Clc1ccccc1Sc2nccs2 62a_100000764095_100000211983 [1,0,0,0,0,0|3,0,0]=4 460 B14R2.50 Clc1cccnc1Sc2ncc[nH]2 62a_100011356963_100025796157 [1,0,0,0,0,0|3,0,0]=4 461 B14R2.50 Clc1cccnc1Sc2ncc[nH]2 62a_100025796157_100011356963 [1,0,0,0,0,0|3,0,0]=4 462 B14R2.50 Clc1ccncc1Sc2ncc[nH]2 62a_100009995489_100025796157 [1,0,0,0,0,0|3,0,0]=4 463 B14R2.50 Clc1ccncc1Sc2ncc[nH]2 62a_100025796157_100009995489 [1,0,0,0,0,0|3,0,0]=4 464 B14R2.50 Clc1cnccc1Sc2ncc[nH]2 62a_100000708259_100025796157 [1,0,0,0,0,0|3,0,0]=4 465 B14R2.50 Clc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000708259 [1,0,0,0,0,0|3,0,0]=4 466 B14R2.50 Clc1ncccc1Sc2ncc[nH]2 62a_100000036424_100025796157 [1,0,0,0,0,0|3,0,0]=4 467 B14R2.50 Clc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000036424 [1,0,0,0,0,0|3,0,0]=4 468 B14R2.50 Fc1ccccc1Sc2ncc[nH]2 62a_100011215700_100025796157 [1,0,0,0,0,0|2,0,0]=3 469 B14R2.50 Fc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011215700 [1,0,0,0,0,0|2,0,0]=3 470 B14R2.50 Fc1ccccc1Sc2ncco2 62a_100011215700_100011787736 [1,0,0,0,0,0|3,0,0]=4 471 B14R2.50 Fc1ccccc1Sc2ncco2 62a_100011787736_100011215700 [1,0,0,0,0,0|3,0,0]=4 472 B14R2.50 Fc1ccccc1Sc2nccs2 62a_100000211983_100011215700 [1,0,0,0,0,0|3,0,0]=4 473 B14R2.50 Fc1ccccc1Sc2nccs2 62a_100011215700_100000211983 [1,0,0,0,0,0|3,0,0]=4 474 B14R2.50 Fc1cccnc1Sc2ncc[nH]2 62a_100000685392_100025796157 [1,0,0,0,0,0|3,0,0]=4 475 B14R2.50 Fc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000685392 [1,0,0,0,0,0|3,0,0]=4 476 B14R2.50 Fc1ccncc1Sc2ncc[nH]2 62a_100009820683_100025796157 [1,0,0,0,0,0|3,0,0]=4 477 B14R2.50 Fc1ccncc1Sc2ncc[nH]2 62a_100025796157_100009820683 [1,0,0,0,0,0|3,0,0]=4 478 B14R2.50 Fc1cnccc1Sc2ncc[nH]2 62a_100000047030_100025796157 [1,0,0,0,0,0|3,0,0]=4 479 B14R2.50 Fc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000047030 [1,0,0,0,0,0|3,0,0]=4 480 B14R2.50 Fc1ncccc1Sc2ncc[nH]2 62a_100009816115_100025796157 [1,0,0,0,0,0|3,0,0]=4 481 B14R2.50 Fc1ncccc1Sc2ncc[nH]2 62a_100025796157_100009816115 [1,0,0,0,0,0|3,0,0]=4 482 B14R2.50 Nc1ccccc1Sc2ncc[nH]2 62a_100000210017_100025796157 [1,0,0,0,0,0|2,0,0]=3 483 B14R2.50 Nc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210017 [1,0,0,0,0,0|2,0,0]=3 484 B14R2.50 Nc1ccccc1Sc2ncco2 62a_100000210017_100011787736 [1,0,0,0,0,0|3,0,0]=4 485 B14R2.50 Nc1ccccc1Sc2ncco2 62a_100011787736_100000210017 [1,0,0,0,0,0|3,0,0]=4 486 B14R2.50 Nc1ccccc1Sc2nccs2 62a_100000210017_100000211983 [1,0,0,0,0,0|3,0,0]=4 487 B14R2.50 Nc1ccccc1Sc2nccs2 62a_100000211983_100000210017 [1,0,0,0,0,0|3,0,0]=4 488 B14R2.50 Nc1cccnc1Sc2ncc[nH]2 62a_100000688686_100025796157 [1,0,0,0,0,0|3,0,0]=4 489 B14R2.50 Nc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000688686 [1,0,0,0,0,0|3,0,0]=4 490 B14R2.50 Nc1ccncc1Sc2ncc[nH]2 62a_100000047001_100025796157 [1,0,0,0,0,0|3,0,0]=4 491 B14R2.50 Nc1ccncc1Sc2ncc[nH]2 62a_100025796157_100000047001 [1,0,0,0,0,0|3,0,0]=4 492 B14R2.50 Nc1cnccc1Sc2ncc[nH]2 62a_100000756074_100025796157 [1,0,0,0,0,0|3,0,0]=4 493 B14R2.50 Nc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000756074 [1,0,0,0,0,0|3,0,0]=4 494 B14R2.50 Nc1ncccc1Sc2ncc[nH]2 62a_100000045569_100025796157 [1,0,0,0,0,0|3,0,0]=4 495 B14R2.50 Nc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000045569 [1,0,0,0,0,0|3,0,0]=4 496 B14R2.50 O=c1cc[nH]cc1Sc2ncc[nH]2 62a_100009998708_100025796157 [1,0,0,0,0,0|3,0,0]=4 497 B14R2.50 O=c1cc[nH]cc1Sc2ncc[nH]2 62a_100025796157_100009998708 [1,0,0,0,0,0|3,0,0]=4 498 B14R2.50 Oc1ccccc1Sc2ncc[nH]2 62a_100000739446_100025796157 [1,0,0,0,0,0|2,0,0]=3 499 B14R2.50 Oc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000739446 [1,0,0,0,0,0|2,0,0]=3 500 B14R2.50 Oc1ccccc1Sc2ncco2 62a_100000739446_100011787736 [1,0,0,0,0,0|3,0,0]=4 501 B14R2.50 Oc1ccccc1Sc2ncco2 62a_100011787736_100000739446 [1,0,0,0,0,0|3,0,0]=4 502 B14R2.50 Oc1ccccc1Sc2nccs2 62a_100000211983_100000739446 [1,0,0,0,0,0|3,0,0]=4 503 B14R2.50 Oc1ccccc1Sc2nccs2 62a_100000739446_100000211983 [1,0,0,0,0,0|3,0,0]=4 504 B14R2.50 Oc1cccnc1Sc2ncc[nH]2 62a_100000034122_100025796157 [1,0,0,0,0,0|3,0,0]=4 505 B14R2.50 Oc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000034122 [1,0,0,0,0,0|3,0,0]=4 506 B14R2.50 Oc1cnccc1Sc2ncc[nH]2 62a_100009817591_100025796157 [1,0,0,0,0,0|3,0,0]=4 507 B14R2.50 Oc1cnccc1Sc2ncc[nH]2 62a_100025796157_100009817591 [1,0,0,0,0,0|3,0,0]=4 508 B14R2.50 Oc1ncccc1Sc2ncc[nH]2 62a_100000760158_100025796157 [1,0,0,0,0,0|3,0,0]=4 509 B14R2.50 Oc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000760158 [1,0,0,0,0,0|3,0,0]=4 510 B14R2.50 S=c1cc[nH]cc1Sc2ncc[nH]2 62a_100025796157_200012280681 [1,0,0,0,0,0|3,0,0]=4 511 B14R2.50 S=c1cc[nH]cc1Sc2ncc[nH]2 62a_200012280681_100025796157 [1,0,0,0,0,0|3,0,0]=4 512 B14R2.50 [O-][n+]1ccccc1Sc2ncc[nH]2 62a_100025796157_200000042595 [1,0,0,0,0,0|3,0,0]=4 513 B16R2.6175 Brc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_100011263223_100025796157 [0,1,0,0,0,0|3,0,0]=4 514 B16R2.6175 Brc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_100025796157_100011263223 [0,1,0,0,0,0|3,0,0]=4 515 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_100025796157_200011219743 [0,1,0,0,0,0|3,0,0]=4 516 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_200011219743_100025796157 [0,1,0,0,0,0|3,0,0]=4 517 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)C 62a_100025796157_200012353697 [0,1,0,0,0,0|2,0,0]=3 518 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)C 62a_200012353697_100025796157 [0,1,0,0,0,0|2,0,0]=3 519 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)F 62a_100010208195_100025796157 [0,1,0,0,0,0|3,0,0]=4 520 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncc[nH]2)F 62a_100025796157_100010208195 [0,1,0,0,0,0|3,0,0]=4 521 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncco2)C 62a_100011787736_200012353697 [0,1,0,0,0,0|3,0,0]=4 522 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2ncco2)C 62a_200012353697_100011787736 [0,1,0,0,0,0|3,0,0]=4 523 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2nccs2)C 62a_100000211983_200012353697 [0,1,0,0,0,0|3,0,0]=4 524 B16R2.6175 Cc1cc(c(c(c1)Br)Sc2nccs2)C 62a_200012353697_100000211983 [0,1,0,0,0,0|3,0,0]=4 525 B16R2.6175 Cc1cc(c(c(c1)C)CN2CC=CC2)C 269982a_100015195280_100000749405 [0,1,0,0,0,0|3,0,0]=4 526 B16R2.6175 Cc1cc(c(c(c1)C)Nc2ncns2)C 27a_100000210045_100000693119 [0,1,0,0,0,0|3,0,0]=4 527 B16R2.6175 Cc1cc(c(c(c1)C)Nc2nncs2)C 27a_100000210045_100000739804 [0,1,0,0,0,0|3,0,0]=4 528 B16R2.6175 Cc1cc(c(c(c1)C)Sc2c[nH]cn2)C 62a_100000756875_100011204320 [0,1,0,0,0,0|3,0,0]=4 529 B16R2.6175 Cc1cc(c(c(c1)C)Sc2c[nH]cn2)C 62a_100011204320_100000756875 [0,1,0,0,0,0|3,0,0]=4 530 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cc[nH]n2)C 62a_100000062575_100011204320 [0,1,0,0,0,0|3,0,0]=4 531 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cc[nH]n2)C 62a_100011204320_100000062575 [0,1,0,0,0,0|3,0,0]=4 532 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccco2)C 62a_100009814098_100011204320 [0,1,0,0,0,0|3,0,0]=4 533 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccco2)C 62a_100011204320_100009814098 [0,1,0,0,0,0|3,0,0]=4 534 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cccs2)C 62a_100011204320_100011215356 [0,1,0,0,0,0|3,0,0]=4 535 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cccs2)C 62a_100011215356_100011204320 [0,1,0,0,0,0|3,0,0]=4 536 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccon2)C 62a_100009818083_100011204320 [0,1,0,0,0,0|3,0,0]=4 537 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccon2)C 62a_100011204320_100009818083 [0,1,0,0,0,0|3,0,0]=4 538 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccsn2)C 62a_100009818082_100011204320 [0,1,0,0,0,0|3,0,0]=4 539 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ccsn2)C 62a_100011204320_100009818082 [0,1,0,0,0,0|3,0,0]=4 540 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cscn2)C 62a_100000751502_100011204320 [0,1,0,0,0,0|3,0,0]=4 541 B16R2.6175 Cc1cc(c(c(c1)C)Sc2cscn2)C 62a_100011204320_100000751502 [0,1,0,0,0,0|3,0,0]=4 542 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nc[nH]n2)C 62a_100000761765_100011204320 [0,1,0,0,0,0|2,0,1]=4 543 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nc[nH]n2)C 62a_100011204320_100000761765 [0,1,0,0,0,0|2,0,1]=4 544 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100011204320_100025796157 [0,1,0,0,0,0|1,0,0]=2 545 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100025796157_100011204320 [0,1,0,0,0,0|1,0,0]=2 546 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncco2)C 62a_100011204320_100011787736 [0,1,0,0,0,0|2,0,0]=3 547 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncco2)C 62a_100011787736_100011204320 [0,1,0,0,0,0|2,0,0]=3 548 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nccs2)C 62a_100000211983_100011204320 [0,1,0,0,0,0|2,0,0]=3 549 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nccs2)C 62a_100011204320_100000211983 [0,1,0,0,0,0|2,0,0]=3 550 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncns2)C 62a_100000693119_100011204320 [0,1,0,0,0,0|3,0,0]=4 551 B16R2.6175 Cc1cc(c(c(c1)C)Sc2ncns2)C 62a_100011204320_100000693119 [0,1,0,0,0,0|3,0,0]=4 552 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nncs2)C 62a_100000739804_100011204320 [0,1,0,0,0,0|3,0,0]=4 553 B16R2.6175 Cc1cc(c(c(c1)C)Sc2nncs2)C 62a_100011204320_100000739804 [0,1,0,0,0,0|3,0,0]=4 554 B16R2.6175 Cc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100015306127_100025796157 [0,1,0,0,0,0|3,0,0]=4 555 B16R2.6175 Cc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100025796157_100015306127 [0,1,0,0,0,0|3,0,0]=4 556 B16R2.6175 Cc1cc(c(c(c1)F)Sc2ncc[nH]2)N 62a_100021129147_100025796157 [0,1,0,0,0,0|3,0,0]=4 557 B16R2.6175 Cc1cc(c(c(c1)F)Sc2ncc[nH]2)N 62a_100025796157_100021129147 [0,1,0,0,0,0|3,0,0]=4 558 B16R2.6175 Cc1cc(c(c(c1)O)Sc2ncc[nH]2)C 62a_100010342985_100025796157 [0,1,0,0,0,0|2,0,0]=3 559 B16R2.6175 Cc1cc(c(c(c1)O)Sc2ncc[nH]2)C 62a_100025796157_100010342985 [0,1,0,0,0,0|2,0,0]=3 560 B16R2.6175 Cc1cc(c(c(c1)O)Sc2ncco2)C 62a_100010342985_100011787736 [0,1,0,0,0,0|3,0,0]=4 561 B16R2.6175 Cc1cc(c(c(c1)O)Sc2ncco2)C 62a_100011787736_100010342985 [0,1,0,0,0,0|3,0,0]=4 562 B16R2.6175 Cc1cc(c(c(c1)O)Sc2nccs2)C 62a_100000211983_100010342985 [0,1,0,0,0,0|3,0,0]=4 563 B16R2.6175 Cc1cc(c(c(c1)O)Sc2nccs2)C 62a_100010342985_100000211983 [0,1,0,0,0,0|3,0,0]=4 564 B16R2.6175 Cc1cc(c(c(n1)C)Sc2ncc[nH]2)N 62a_100010261885_100025796157 [0,1,0,0,0,0|3,0,0]=4 565 B16R2.6175 Cc1cc(c(c(n1)C)Sc2ncc[nH]2)N 62a_100025796157_100010261885 [0,1,0,0,0,0|3,0,0]=4 566 B16R2.6175 Cc1cc(cc(c1CN2CC=CC2)C)Br 26a_100015195280_100000187306 [0,1,0,0,0,0|3,0,0]=4 567 B16R2.6175 Cc1cc(cc(c1Nc2ncns2)C)Br 27a_100000737279_100000693119 [0,1,0,0,0,0|3,0,0]=4 568 B16R2.6175 Cc1cc(cc(c1Nc2ncns2)C)Cl 27a_100000692879_100000693119 [0,1,0,0,0,0|3,0,0]=4 569 B16R2.6175 Cc1cc(cc(c1Nc2ncns2)C)F 27a_100011290887_100000693119 [0,1,0,0,0,0|3,0,0]=4 570 B16R2.6175 Cc1cc(cc(c1Nc2ncns2)C)I 27a_100011356821_100000693119 [0,1,0,0,0,0|3,0,0]=4 571 B16R2.6175 Cc1cc(cc(c1Nc2ncns2)C)O 27a_100011934200_100000693119 [0,1,0,0,0,0|3,0,0]=4 572 B16R2.6175 Cc1cc(cc(c1Nc2nncs2)C)Br 27a_100000737279_100000739804 [0,1,0,0,0,0|3,0,0]=4 573 B16R2.6175 Cc1cc(cc(c1Nc2nncs2)C)Cl 27a_100000692879_100000739804 [0,1,0,0,0,0|3,0,0]=4 574 B16R2.6175 Cc1cc(cc(c1Nc2nncs2)C)F 27a_100011290887_100000739804 [0,1,0,0,0,0|3,0,0]=4 575 B16R2.6175 Cc1cc(cc(c1Nc2nncs2)C)I 27a_100011356821_100000739804 [0,1,0,0,0,0|3,0,0]=4 576 B16R2.6175 Cc1cc(cc(c1Nc2nncs2)C)O 27a_100011934200_100000739804 [0,1,0,0,0,0|3,0,0]=4 577 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)Br 62a_100000756875_100009814048 [0,1,0,0,0,0|3,0,0]=4 578 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)Br 62a_100009814048_100000756875 [0,1,0,0,0,0|3,0,0]=4 579 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)Cl 62a_100000756875_100010244930 [0,1,0,0,0,0|3,0,0]=4 580 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)Cl 62a_100010244930_100000756875 [0,1,0,0,0,0|3,0,0]=4 581 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)F 62a_100000756875_100012356666 [0,1,0,0,0,0|3,0,0]=4 582 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)F 62a_100012356666_100000756875 [0,1,0,0,0,0|3,0,0]=4 583 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)N 62a_100000215964_100000756875 [0,1,0,0,0,0|3,0,0]=4 584 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)N 62a_100000756875_100000215964 [0,1,0,0,0,0|3,0,0]=4 585 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)O 62a_100000243743_100000756875 [0,1,0,0,0,0|3,0,0]=4 586 B16R2.6175 Cc1cc(cc(c1Sc2c[nH]cn2)C)O 62a_100000756875_100000243743 [0,1,0,0,0,0|3,0,0]=4 587 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)Br 62a_100000062575_100009814048 [0,1,0,0,0,0|3,0,0]=4 588 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)Br 62a_100009814048_100000062575 [0,1,0,0,0,0|3,0,0]=4 589 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)Cl 62a_100000062575_100010244930 [0,1,0,0,0,0|3,0,0]=4 590 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)Cl 62a_100010244930_100000062575 [0,1,0,0,0,0|3,0,0]=4 591 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)F 62a_100000062575_100012356666 [0,1,0,0,0,0|3,0,0]=4 592 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)F 62a_100012356666_100000062575 [0,1,0,0,0,0|3,0,0]=4 593 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)N 62a_100000062575_100000215964 [0,1,0,0,0,0|3,0,0]=4 594 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)N 62a_100000215964_100000062575 [0,1,0,0,0,0|3,0,0]=4 595 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)O 62a_100000062575_100000243743 [0,1,0,0,0,0|3,0,0]=4 596 B16R2.6175 Cc1cc(cc(c1Sc2cc[nH]n2)C)O 62a_100000243743_100000062575 [0,1,0,0,0,0|3,0,0]=4 597 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)Br 62a_100009814048_100009814098 [0,1,0,0,0,0|3,0,0]=4 598 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)Br 62a_100009814098_100009814048 [0,1,0,0,0,0|3,0,0]=4 599 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)Cl 62a_100009814098_100010244930 [0,1,0,0,0,0|3,0,0]=4 600 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)Cl 62a_100010244930_100009814098 [0,1,0,0,0,0|3,0,0]=4 601 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)F 62a_100009814098_100012356666 [0,1,0,0,0,0|3,0,0]=4 602 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)F 62a_100012356666_100009814098 [0,1,0,0,0,0|3,0,0]=4 603 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)N 62a_100000215964_100009814098 [0,1,0,0,0,0|3,0,0]=4 604 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)N 62a_100009814098_100000215964 [0,1,0,0,0,0|3,0,0]=4 605 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)O 62a_100000243743_100009814098 [0,1,0,0,0,0|3,0,0]=4 606 B16R2.6175 Cc1cc(cc(c1Sc2ccco2)C)O 62a_100009814098_100000243743 [0,1,0,0,0,0|3,0,0]=4 607 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)Br 62a_100009814048_100011215356 [0,1,0,0,0,0|3,0,0]=4 608 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)Br 62a_100011215356_100009814048 [0,1,0,0,0,0|3,0,0]=4 609 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)Cl 62a_100010244930_100011215356 [0,1,0,0,0,0|3,0,0]=4 610 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)Cl 62a_100011215356_100010244930 [0,1,0,0,0,0|3,0,0]=4 611 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)F 62a_100011215356_100012356666 [0,1,0,0,0,0|3,0,0]=4 612 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)F 62a_100012356666_100011215356 [0,1,0,0,0,0|3,0,0]=4 613 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)N 62a_100000215964_100011215356 [0,1,0,0,0,0|3,0,0]=4 614 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)N 62a_100011215356_100000215964 [0,1,0,0,0,0|3,0,0]=4 615 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)O 62a_100000243743_100011215356 [0,1,0,0,0,0|3,0,0]=4 616 B16R2.6175 Cc1cc(cc(c1Sc2cccs2)C)O 62a_100011215356_100000243743 [0,1,0,0,0,0|3,0,0]=4 617 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)Br 62a_100009814048_100009818083 [0,1,0,0,0,0|3,0,0]=4 618 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)Br 62a_100009818083_100009814048 [0,1,0,0,0,0|3,0,0]=4 619 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)Cl 62a_100009818083_100010244930 [0,1,0,0,0,0|3,0,0]=4 620 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)Cl 62a_100010244930_100009818083 [0,1,0,0,0,0|3,0,0]=4 621 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)F 62a_100009818083_100012356666 [0,1,0,0,0,0|3,0,0]=4 622 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)F 62a_100012356666_100009818083 [0,1,0,0,0,0|3,0,0]=4 623 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)N 62a_100000215964_100009818083 [0,1,0,0,0,0|3,0,0]=4 624 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)N 62a_100009818083_100000215964 [0,1,0,0,0,0|3,0,0]=4 625 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)O 62a_100000243743_100009818083 [0,1,0,0,0,0|3,0,0]=4 626 B16R2.6175 Cc1cc(cc(c1Sc2ccon2)C)O 62a_100009818083_100000243743 [0,1,0,0,0,0|3,0,0]=4 627 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)Br 62a_100009814048_100009818082 [0,1,0,0,0,0|3,0,0]=4 628 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)Br 62a_100009818082_100009814048 [0,1,0,0,0,0|3,0,0]=4 629 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)Cl 62a_100009818082_100010244930 [0,1,0,0,0,0|3,0,0]=4 630 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)Cl 62a_100010244930_100009818082 [0,1,0,0,0,0|3,0,0]=4 631 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)F 62a_100009818082_100012356666 [0,1,0,0,0,0|3,0,0]=4 632 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)F 62a_100012356666_100009818082 [0,1,0,0,0,0|3,0,0]=4 633 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)N 62a_100000215964_100009818082 [0,1,0,0,0,0|3,0,0]=4 634 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)N 62a_100009818082_100000215964 [0,1,0,0,0,0|3,0,0]=4 635 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)O 62a_100000243743_100009818082 [0,1,0,0,0,0|3,0,0]=4 636 B16R2.6175 Cc1cc(cc(c1Sc2ccsn2)C)O 62a_100009818082_100000243743 [0,1,0,0,0,0|3,0,0]=4 637 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)Br 62a_100000751502_100009814048 [0,1,0,0,0,0|3,0,0]=4 638 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)Br 62a_100009814048_100000751502 [0,1,0,0,0,0|3,0,0]=4 639 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)Cl 62a_100000751502_100010244930 [0,1,0,0,0,0|3,0,0]=4 640 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)Cl 62a_100010244930_100000751502 [0,1,0,0,0,0|3,0,0]=4 641 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)F 62a_100000751502_100012356666 [0,1,0,0,0,0|3,0,0]=4 642 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)F 62a_100012356666_100000751502 [0,1,0,0,0,0|3,0,0]=4 643 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)N 62a_100000215964_100000751502 [0,1,0,0,0,0|3,0,0]=4 644 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)N 62a_100000751502_100000215964 [0,1,0,0,0,0|3,0,0]=4 645 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)O 62a_100000243743_100000751502 [0,1,0,0,0,0|3,0,0]=4 646 B16R2.6175 Cc1cc(cc(c1Sc2cscn2)C)O 62a_100000751502_100000243743 [0,1,0,0,0,0|3,0,0]=4 647 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)Br 62a_100000761765_100009814048 [0,1,0,0,0,0|2,0,1]=4 648 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)Br 62a_100009814048_100000761765 [0,1,0,0,0,0|2,0,1]=4 649 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)Cl 62a_100000761765_100010244930 [0,1,0,0,0,0|2,0,1]=4 650 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)Cl 62a_100010244930_100000761765 [0,1,0,0,0,0|2,0,1]=4 651 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)F 62a_100000761765_100012356666 [0,1,0,0,0,0|2,0,1]=4 652 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)F 62a_100012356666_100000761765 [0,1,0,0,0,0|2,0,1]=4 653 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)N 62a_100000215964_100000761765 [0,1,0,0,0,0|2,0,1]=4 654 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)N 62a_100000761765_100000215964 [0,1,0,0,0,0|2,0,1]=4 655 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)O 62a_100000243743_100000761765 [0,1,0,0,0,0|2,0,1]=4 656 B16R2.6175 Cc1cc(cc(c1Sc2nc[nH]n2)C)O 62a_100000761765_100000243743 [0,1,0,0,0,0|2,0,1]=4 657 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Br)Br 62a_100025796157_200010208242 [0,1,0,0,0,0|2,0,0]=3 658 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Br)Br 62a_200010208242_100025796157 [0,1,0,0,0,0|2,0,0]=3 659 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Br)F 62a_100010208209_100025796157 [0,1,0,0,0,0|2,0,0]=3 660 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Br)F 62a_100025796157_100010208209 [0,1,0,0,0,0|2,0,0]=3 661 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Br 62a_100009814048_100025796157 [0,1,0,0,0,0|1,0,0]=2 662 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Br 62a_100025796157_100009814048 [0,1,0,0,0,0|1,0,0]=2 663 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Cl 62a_100010244930_100025796157 [0,1,0,0,0,0|1,0,0]=2 664 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)Cl 62a_100025796157_100010244930 [0,1,0,0,0,0|1,0,0]=2 665 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)F 62a_100012356666_100025796157 [0,1,0,0,0,0|1,0,0]=2 666 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)F 62a_100025796157_100012356666 [0,1,0,0,0,0|1,0,0]=2 667 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)N 62a_100000215964_100025796157 [0,1,0,0,0,0|1,0,0]=2 668 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)N 62a_100025796157_100000215964 [0,1,0,0,0,0|1,0,0]=2 669 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)O 62a_100000243743_100025796157 [0,1,0,0,0,0|1,0,0]=2 670 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)C)O 62a_100025796157_100000243743 [0,1,0,0,0,0|1,0,0]=2 671 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Cl)Cl 62a_100025796157_200000035511 [0,1,0,0,0,0|2,0,0]=3 672 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Cl)Cl 62a_200000035511_100025796157 [0,1,0,0,0,0|2,0,0]=3 673 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Cl)F 62a_100010079234_100025796157 [0,1,0,0,0,0|2,0,0]=3 674 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)Cl)F 62a_100025796157_100010079234 [0,1,0,0,0,0|2,0,0]=3 675 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100015332101_100025796157 [0,1,0,0,0,0|2,0,0]=3 676 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100015332101 [0,1,0,0,0,0|2,0,0]=3 677 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)F)N 62a_100010115923_100025796157 [0,1,0,0,0,0|2,0,0]=3 678 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)F)N 62a_100025796157_100010115923 [0,1,0,0,0,0|2,0,0]=3 679 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)N)Cl 62a_100000698757_100025796157 [0,1,0,0,0,0|2,0,0]=3 680 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)N)Cl 62a_100025796157_100000698757 [0,1,0,0,0,0|2,0,0]=3 681 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)O)Cl 62a_100010254216_100025796157 [0,1,0,0,0,0|2,0,0]=3 682 B16R2.6175 Cc1cc(cc(c1Sc2ncc[nH]2)O)Cl 62a_100025796157_100010254216 [0,1,0,0,0,0|2,0,0]=3 683 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Br)Br 62a_100011787736_200010208242 [0,1,0,0,0,0|3,0,0]=4 684 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Br)Br 62a_200010208242_100011787736 [0,1,0,0,0,0|3,0,0]=4 685 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Br)F 62a_100010208209_100011787736 [0,1,0,0,0,0|3,0,0]=4 686 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Br)F 62a_100011787736_100010208209 [0,1,0,0,0,0|3,0,0]=4 687 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)Br 62a_100009814048_100011787736 [0,1,0,0,0,0|2,0,0]=3 688 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)Br 62a_100011787736_100009814048 [0,1,0,0,0,0|2,0,0]=3 689 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)Cl 62a_100010244930_100011787736 [0,1,0,0,0,0|2,0,0]=3 690 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)Cl 62a_100011787736_100010244930 [0,1,0,0,0,0|2,0,0]=3 691 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)F 62a_100011787736_100012356666 [0,1,0,0,0,0|2,0,0]=3 692 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)F 62a_100012356666_100011787736 [0,1,0,0,0,0|2,0,0]=3 693 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)N 62a_100000215964_100011787736 [0,1,0,0,0,0|2,0,0]=3 694 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)N 62a_100011787736_100000215964 [0,1,0,0,0,0|2,0,0]=3 695 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)O 62a_100000243743_100011787736 [0,1,0,0,0,0|2,0,0]=3 696 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)C)O 62a_100011787736_100000243743 [0,1,0,0,0,0|2,0,0]=3 697 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Cl)Cl 62a_100011787736_200000035511 [0,1,0,0,0,0|3,0,0]=4 698 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Cl)Cl 62a_200000035511_100011787736 [0,1,0,0,0,0|3,0,0]=4 699 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Cl)F 62a_100010079234_100011787736 [0,1,0,0,0,0|3,0,0]=4 700 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)Cl)F 62a_100011787736_100010079234 [0,1,0,0,0,0|3,0,0]=4 701 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)F)F 62a_100011787736_100015332101 [0,1,0,0,0,0|3,0,0]=4 702 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)F)F 62a_100015332101_100011787736 [0,1,0,0,0,0|3,0,0]=4 703 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)F)N 62a_100010115923_100011787736 [0,1,0,0,0,0|3,0,0]=4 704 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)F)N 62a_100011787736_100010115923 [0,1,0,0,0,0|3,0,0]=4 705 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)N)Cl 62a_100000698757_100011787736 [0,1,0,0,0,0|3,0,0]=4 706 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)N)Cl 62a_100011787736_100000698757 [0,1,0,0,0,0|3,0,0]=4 707 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)O)Cl 62a_100010254216_100011787736 [0,1,0,0,0,0|3,0,0]=4 708 B16R2.6175 Cc1cc(cc(c1Sc2ncco2)O)Cl 62a_100011787736_100010254216 [0,1,0,0,0,0|3,0,0]=4 709 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Br)Br 62a_100000211983_200010208242 [0,1,0,0,0,0|3,0,0]=4 710 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Br)Br 62a_200010208242_100000211983 [0,1,0,0,0,0|3,0,0]=4 711 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Br)F 62a_100000211983_100010208209 [0,1,0,0,0,0|3,0,0]=4 712 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Br)F 62a_100010208209_100000211983 [0,1,0,0,0,0|3,0,0]=4 713 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)Br 62a_100000211983_100009814048 [0,1,0,0,0,0|2,0,0]=3 714 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)Br 62a_100009814048_100000211983 [0,1,0,0,0,0|2,0,0]=3 715 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)Cl 62a_100000211983_100010244930 [0,1,0,0,0,0|2,0,0]=3 716 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)Cl 62a_100010244930_100000211983 [0,1,0,0,0,0|2,0,0]=3 717 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)F 62a_100000211983_100012356666 [0,1,0,0,0,0|2,0,0]=3 718 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)F 62a_100012356666_100000211983 [0,1,0,0,0,0|2,0,0]=3 719 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)N 62a_100000211983_100000215964 [0,1,0,0,0,0|2,0,0]=3 720 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)N 62a_100000215964_100000211983 [0,1,0,0,0,0|2,0,0]=3 721 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)O 62a_100000211983_100000243743 [0,1,0,0,0,0|2,0,0]=3 722 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)C)O 62a_100000243743_100000211983 [0,1,0,0,0,0|2,0,0]=3 723 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Cl)Cl 62a_100000211983_200000035511 [0,1,0,0,0,0|3,0,0]=4 724 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Cl)Cl 62a_200000035511_100000211983 [0,1,0,0,0,0|3,0,0]=4 725 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Cl)F 62a_100000211983_100010079234 [0,1,0,0,0,0|3,0,0]=4 726 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)Cl)F 62a_100010079234_100000211983 [0,1,0,0,0,0|3,0,0]=4 727 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)F)F 62a_100000211983_100015332101 [0,1,0,0,0,0|3,0,0]=4 728 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)F)F 62a_100015332101_100000211983 [0,1,0,0,0,0|3,0,0]=4 729 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)F)N 62a_100000211983_100010115923 [0,1,0,0,0,0|3,0,0]=4 730 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)F)N 62a_100010115923_100000211983 [0,1,0,0,0,0|3,0,0]=4 731 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)N)Cl 62a_100000211983_100000698757 [0,1,0,0,0,0|3,0,0]=4 732 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)N)Cl 62a_100000698757_100000211983 [0,1,0,0,0,0|3,0,0]=4 733 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)O)Cl 62a_100000211983_100010254216 [0,1,0,0,0,0|3,0,0]=4 734 B16R2.6175 Cc1cc(cc(c1Sc2nccs2)O)Cl 62a_100010254216_100000211983 [0,1,0,0,0,0|3,0,0]=4 735 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)Br 62a_100000693119_100009814048 [0,1,0,0,0,0|3,0,0]=4 736 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)Br 62a_100009814048_100000693119 [0,1,0,0,0,0|3,0,0]=4 737 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)Cl 62a_100000693119_100010244930 [0,1,0,0,0,0|3,0,0]=4 738 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)Cl 62a_100010244930_100000693119 [0,1,0,0,0,0|3,0,0]=4 739 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)F 62a_100000693119_100012356666 [0,1,0,0,0,0|3,0,0]=4 740 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)F 62a_100012356666_100000693119 [0,1,0,0,0,0|3,0,0]=4 741 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)N 62a_100000215964_100000693119 [0,1,0,0,0,0|3,0,0]=4 742 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)N 62a_100000693119_100000215964 [0,1,0,0,0,0|3,0,0]=4 743 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)O 62a_100000243743_100000693119 [0,1,0,0,0,0|3,0,0]=4 744 B16R2.6175 Cc1cc(cc(c1Sc2ncns2)C)O 62a_100000693119_100000243743 [0,1,0,0,0,0|3,0,0]=4 745 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)Br 62a_100000739804_100009814048 [0,1,0,0,0,0|3,0,0]=4 746 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)Br 62a_100009814048_100000739804 [0,1,0,0,0,0|3,0,0]=4 747 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)Cl 62a_100000739804_100010244930 [0,1,0,0,0,0|3,0,0]=4 748 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)Cl 62a_100010244930_100000739804 [0,1,0,0,0,0|3,0,0]=4 749 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)F 62a_100000739804_100012356666 [0,1,0,0,0,0|3,0,0]=4 750 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)F 62a_100012356666_100000739804 [0,1,0,0,0,0|3,0,0]=4 751 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)N 62a_100000215964_100000739804 [0,1,0,0,0,0|3,0,0]=4 752 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)N 62a_100000739804_100000215964 [0,1,0,0,0,0|3,0,0]=4 753 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)O 62a_100000243743_100000739804 [0,1,0,0,0,0|3,0,0]=4 754 B16R2.6175 Cc1cc(cc(c1Sc2nncs2)C)O 62a_100000739804_100000243743 [0,1,0,0,0,0|3,0,0]=4 755 B16R2.6175 Cc1cc(nc(c1Sc2ncc[nH]2)C)N 62a_100000699364_100025796157 [0,1,0,0,0,0|2,0,0]=3 756 B16R2.6175 Cc1cc(nc(c1Sc2ncc[nH]2)C)N 62a_100025796157_100000699364 [0,1,0,0,0,0|2,0,0]=3 757 B16R2.6175 Cc1cc(nc(c1Sc2ncco2)C)N 62a_100000699364_100011787736 [0,1,0,0,0,0|3,0,0]=4 758 B16R2.6175 Cc1cc(nc(c1Sc2ncco2)C)N 62a_100011787736_100000699364 [0,1,0,0,0,0|3,0,0]=4 759 B16R2.6175 Cc1cc(nc(c1Sc2nccs2)C)N 62a_100000211983_100000699364 [0,1,0,0,0,0|3,0,0]=4 760 B16R2.6175 Cc1cc(nc(c1Sc2nccs2)C)N 62a_100000699364_100000211983 [0,1,0,0,0,0|3,0,0]=4 761 B16R2.6175 Cc1nc(nc(c1Sc2ncc[nH]2)C)N 62a_100009814254_100025796157 [0,1,0,0,0,0|3,0,0]=4 762 B16R2.6175 Cc1nc(nc(c1Sc2ncc[nH]2)C)N 62a_100025796157_100009814254 [0,1,0,0,0,0|3,0,0]=4 763 B16R2.6175 Clc1cc(c(c(c1)Br)Sc2ncc[nH]2)Cl 62a_100025796157_200009992027 [0,1,0,0,0,0|3,0,0]=4 764 B16R2.6175 Clc1cc(c(c(c1)Br)Sc2ncc[nH]2)Cl 62a_200009992027_100025796157 [0,1,0,0,0,0|3,0,0]=4 765 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_200011216440 [0,1,0,0,0,0|3,0,0]=4 766 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_200011216440_100025796157 [0,1,0,0,0,0|3,0,0]=4 767 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_200011263224 [0,1,0,0,0,0|3,0,0]=4 768 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_200011263224_100025796157 [0,1,0,0,0,0|3,0,0]=4 769 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_100009813983_100025796157 [0,1,0,0,0,0|3,0,0]=4 770 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)Br 62a_100025796157_100009813983 [0,1,0,0,0,0|3,0,0]=4 771 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)Cl 62a_100012356682_100025796157 [0,1,0,0,0,0|3,0,0]=4 772 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)Cl 62a_100025796157_100012356682 [0,1,0,0,0,0|3,0,0]=4 773 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)F 62a_100000720994_100025796157 [0,1,0,0,0,0|3,0,0]=4 774 B16R2.6175 Fc1cc(c(c(c1)Br)Sc2ncc[nH]2)F 62a_100025796157_100000720994 [0,1,0,0,0,0|3,0,0]=4 775 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100010175091_100025796157 [0,1,0,0,0,0|3,0,0]=4 776 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_100010175091 [0,1,0,0,0,0|3,0,0]=4 777 B16R2.6175 Fc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100000243675_100025796157 [0,1,0,0,0,0|3,0,0]=4 778 B16R2.6175 Fc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100025796157_100000243675 [0,1,0,0,0,0|3,0,0]=4 779 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Br)Br 62a_100000708766_100025796157 [0,1,0,0,0,0|3,0,0]=4 780 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Br)Br 62a_100025796157_100000708766 [0,1,0,0,0,0|3,0,0]=4 781 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100009993495_100025796157 [0,1,0,0,0,0|3,0,0]=4 782 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100025796157_100009993495 [0,1,0,0,0,0|3,0,0]=4 783 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_100010212234_100025796157 [0,1,0,0,0,0|3,0,0]=4 784 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_100010212234 [0,1,0,0,0,0|3,0,0]=4 785 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)F)Br 62a_100009813614_100025796157 [0,1,0,0,0,0|3,0,0]=4 786 B16R2.6175 Fc1cc(cc(c1Sc2ncc[nH]2)F)Br 62a_100025796157_100009813614 [0,1,0,0,0,0|3,0,0]=4 787 B16R2.6175 Nc1cc(c(c(c1)Cl)Sc2ncc[nH]2)F 62a_100014833993_100025796157 [0,1,0,0,0,0|3,0,0]=4 788 B16R2.6175 Nc1cc(c(c(c1)Cl)Sc2ncc[nH]2)F 62a_100025796157_100014833993 [0,1,0,0,0,0|3,0,0]=4 789 B16R2.6175 Nc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100000057532_100025796157 [0,1,0,0,0,0|3,0,0]=4 790 B16R2.6175 Nc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100025796157_100000057532 [0,1,0,0,0,0|3,0,0]=4 791 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100011155807_100025796157 [0,1,0,0,0,0|3,0,0]=4 792 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100025796157_100011155807 [0,1,0,0,0,0|3,0,0]=4 793 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)Br)F 62a_100025796157_200010740111 [0,1,0,0,0,0|3,0,0]=4 794 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)Br)F 62a_200010740111_100025796157 [0,1,0,0,0,0|3,0,0]=4 795 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)F)Cl 62a_100025796157_200021297760 [0,1,0,0,0,0|3,0,0]=4 796 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)F)Cl 62a_200021297760_100025796157 [0,1,0,0,0,0|3,0,0]=4 797 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100000716482_100025796157 [0,1,0,0,0,0|3,0,0]=4 798 B16R2.6175 Nc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100000716482 [0,1,0,0,0,0|3,0,0]=4 799 B16R2.6175 Oc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100009816007_100025796157 [0,1,0,0,0,0|3,0,0]=4 800 B16R2.6175 Oc1cc(c(c(c1)F)Sc2ncc[nH]2)F 62a_100025796157_100009816007 [0,1,0,0,0,0|3,0,0]=4 801 B16R2.6175 Oc1cc(c(c(c1)O)Sc2ncc[nH]2)O 62a_100025796157_200010341185 [0,1,0,0,0,0|3,0,0]=4 802 B16R2.6175 Oc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100009815984_100025796157 [0,1,0,0,0,0|3,0,0]=4 803 B16R2.6175 Oc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100009815984 [0,1,0,0,0,0|3,0,0]=4 804 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccc[n+]2[O-])C 62a_100161115468_100116209805 [0,1,0,0,0,0|3,0,0]=4 805 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)Br 62a_100009994525_100161115468 [0,1,0,0,0,0|3,0,0]=4 806 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)Br 62a_100161115468_100009994525 [0,1,0,0,0,0|3,0,0]=4 807 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)C 62a_100010141302_100161115468 [0,1,0,0,0,0|2,0,0]=3 808 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)C 62a_100161115468_100010141302 [0,1,0,0,0,0|2,0,0]=3 809 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)Cl 62a_100010214488_100161115468 [0,1,0,0,0,0|3,0,0]=4 810 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)Cl 62a_100161115468_100010214488 [0,1,0,0,0,0|3,0,0]=4 811 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)F 62a_100011219512_100161115468 [0,1,0,0,0,0|3,0,0]=4 812 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)F 62a_100161115468_100011219512 [0,1,0,0,0,0|3,0,0]=4 813 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)N 62a_100020590159_100161115468 [0,1,0,0,0,0|3,0,0]=4 814 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)N 62a_100161115468_100020590159 [0,1,0,0,0,0|3,0,0]=4 815 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)O 62a_100010187912_100161115468 [0,1,0,0,0,0|3,0,0]=4 816 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Br)O 62a_100161115468_100010187912 [0,1,0,0,0,0|3,0,0]=4 817 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2C)C 62a_100000033847_100161115468 [0,1,0,0,0,0|1,0,0]=2 818 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2C)C 62a_100161115468_100000033847 [0,1,0,0,0,0|1,0,0]=2 819 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)C 62a_100000043165_100161115468 [0,1,0,0,0,0|2,0,0]=3 820 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)C 62a_100161115468_100000043165 [0,1,0,0,0,0|2,0,0]=3 821 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)Cl 62a_100000034237_100161115468 [0,1,0,0,0,0|3,0,0]=4 822 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)Cl 62a_100161115468_100000034237 [0,1,0,0,0,0|3,0,0]=4 823 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)F 62a_100000050007_100161115468 [0,1,0,0,0,0|3,0,0]=4 824 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)F 62a_100161115468_100000050007 [0,1,0,0,0,0|3,0,0]=4 825 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)N 62a_100000049713_100161115468 [0,1,0,0,0,0|3,0,0]=4 826 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)N 62a_100161115468_100000049713 [0,1,0,0,0,0|3,0,0]=4 827 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)O 62a_100161115468_100000050174 [0,1,0,0,0,0|3,0,0]=4 828 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)C 62a_100011218421_100161115468 [0,1,0,0,0,0|2,0,0]=3 829 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)C 62a_100161115468_100011218421 [0,1,0,0,0,0|2,0,0]=3 830 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)F 62a_100000693133_100161115468 [0,1,0,0,0,0|3,0,0]=4 831 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)F 62a_100161115468_100000693133 [0,1,0,0,0,0|3,0,0]=4 832 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)N 62a_100000690935_100161115468 [0,1,0,0,0,0|3,0,0]=4 833 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)N 62a_100161115468_100000690935 [0,1,0,0,0,0|3,0,0]=4 834 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)O 62a_100009820682_100161115468 [0,1,0,0,0,0|3,0,0]=4 835 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2F)O 62a_100161115468_100009820682 [0,1,0,0,0,0|3,0,0]=4 836 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2N)C 62a_100000684715_100161115468 [0,1,0,0,0,0|2,0,0]=3 837 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2N)C 62a_100161115468_100000684715 [0,1,0,0,0,0|2,0,0]=3 838 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2O)C 62a_100000686692_100161115468 [0,1,0,0,0,0|2,0,0]=3 839 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2O)C 62a_100161115468_100000686692 [0,1,0,0,0,0|2,0,0]=3 840 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2O)N 62a_100012183704_100161115468 [0,1,0,0,0,0|3,0,0]=4 841 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2O)N 62a_100161115468_100012183704 [0,1,0,0,0,0|3,0,0]=4 842 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2O)O 62a_100161115468_100010205330 [0,1,0,0,0,0|3,0,0]=4 843 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2C)C 62a_100012000501_100161115468 [0,1,0,0,0,0|2,0,0]=3 844 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2C)C 62a_100161115468_100012000501 [0,1,0,0,0,0|2,0,0]=3 845 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2C)N 62a_100010243816_100161115468 [0,1,0,0,0,0|3,0,0]=4 846 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2C)N 62a_100161115468_100010243816 [0,1,0,0,0,0|3,0,0]=4 847 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2Cl)C 62a_100010248874_100161115468 [0,1,0,0,0,0|3,0,0]=4 848 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2Cl)C 62a_100161115468_100010248874 [0,1,0,0,0,0|3,0,0]=4 849 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2F)C 62a_100009818256_100161115468 [0,1,0,0,0,0|3,0,0]=4 850 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2F)C 62a_100161115468_100009818256 [0,1,0,0,0,0|3,0,0]=4 851 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2N)C 62a_100011998619_100161115468 [0,1,0,0,0,0|3,0,0]=4 852 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2N)C 62a_100161115468_100011998619 [0,1,0,0,0,0|3,0,0]=4 853 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2O)C 62a_100012000493_100161115468 [0,1,0,0,0,0|3,0,0]=4 854 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ccnc2O)C 62a_100161115468_100012000493 [0,1,0,0,0,0|3,0,0]=4 855 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cncc2C)C 62a_100009817138_100161115468 [0,1,0,0,0,0|2,0,0]=3 856 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cncc2C)C 62a_100161115468_100009817138 [0,1,0,0,0,0|2,0,0]=3 857 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ncnc2C)C 62a_100009820708_100161115468 [0,1,0,0,0,0|3,0,0]=4 858 B16R2.11484 Cc1c[nH]c(n1)Sc2c(ncnc2C)C 62a_100161115468_100009820708 [0,1,0,0,0,0|3,0,0]=4 859 B16R2.11484 Cc1cc(n[nH]1)Sc2c(cccc2C)C 62a_100000033847_100009819999 [0,1,0,0,0,0|3,0,0]=4 860 B16R2.11484 Cc1cc(n[nH]1)Sc2c(cccc2C)C 62a_100009819999_100000033847 [0,1,0,0,0,0|3,0,0]=4 861 B16R2.11484 Cc1cc(no1)Sc2c(cccc2C)C 62a_100000033847_100000716708 [0,1,0,0,0,0|3,0,0]=4 862 B16R2.11484 Cc1cc(no1)Sc2c(cccc2C)C 62a_100000716708_100000033847 [0,1,0,0,0,0|3,0,0]=4 863 B16R2.11484 Cc1ccc(s1)Sc2c(cccc2C)C 62a_100000031368_100000033847 [0,1,0,0,0,0|3,0,0]=4 864 B16R2.11484 Cc1ccc(s1)Sc2c(cccc2C)C 62a_100000033847_100000031368 [0,1,0,0,0,0|3,0,0]=4 865 B16R2.11484 Cc1cccc(c1Cc2noc(n2)O)Br 270196a_100010147027_100015183105 [0,1,0,0,0,0|2,0,1]=4 866 B16R2.11484 Cc1cccc(c1Cc2noc(n2)O)C 270196a_200011933933_100015183105 [0,1,0,0,0,0|1,0,1]=3 867 B16R2.11484 Cc1cccc(c1Nc2nnc(s2)N)C 27a_100000185769_100000738278 [0,1,0,0,0,0|3,0,0]=4 868 B16R2.11484 Cc1cccc(c1Sc2cc([nH]n2)N)C 62a_100000033847_100009822546 [0,1,0,0,0,0|3,0,0]=4 869 B16R2.11484 Cc1cccc(c1Sc2cc([nH]n2)N)C 62a_100009822546_100000033847 [0,1,0,0,0,0|3,0,0]=4 870 B16R2.11484 Cc1cccc(c1Sc2cc(n[nH]2)Br)C 62a_100000033847_100160470719 [0,1,0,0,0,0|3,0,0]=4 871 B16R2.11484 Cc1cccc(c1Sc2cc(n[nH]2)Br)C 62a_100160470719_100000033847 [0,1,0,0,0,0|3,0,0]=4 872 B16R2.11484 Cc1cccc(c1Sc2ccc(s2)Br)C 62a_100000033847_100010197418 [0,1,0,0,0,0|3,0,0]=4 873 B16R2.11484 Cc1cccc(c1Sc2ccc(s2)Br)C 62a_100010197418_100000033847 [0,1,0,0,0,0|3,0,0]=4 874 B16R2.11484 Cc1cccc(c1Sc2ccn(n2)C)C 62a_100000033847_100000752436 [0,1,0,0,0,0|3,0,0]=4 875 B16R2.11484 Cc1cccc(c1Sc2ccn(n2)C)C 62a_100000752436_100000033847 [0,1,0,0,0,0|3,0,0]=4 876 B16R2.11484 Cc1cccc(c1Sc2cn(cn2)C)C 62a_100000033847_100000040308 [0,1,0,0,0,0|3,0,0]=4 877 B16R2.11484 Cc1cccc(c1Sc2cn(cn2)C)C 62a_100000040308_100000033847 [0,1,0,0,0,0|3,0,0]=4 878 B16R2.11484 Cc1cccc(c1Sc2csc(n2)N)C 62a_100000033847_100011998049 [0,1,0,0,0,0|3,0,0]=4 879 B16R2.11484 Cc1cccc(c1Sc2csc(n2)N)C 62a_100011998049_100000033847 [0,1,0,0,0,0|3,0,0]=4 880 B16R2.11484 Cc1cccc(c1Sc2n[nH]c(n2)N)C 62a_100000033847_100015184587 [0,1,0,0,0,0|2,0,1]=4 881 B16R2.11484 Cc1cccc(c1Sc2n[nH]c(n2)N)C 62a_100015184587_100000033847 [0,1,0,0,0,0|2,0,1]=4 882 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)Br 62a_100010141302_200016082925 [0,1,0,0,0,0|3,0,0]=4 883 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)Br 62a_200016082925_100010141302 [0,1,0,0,0,0|3,0,0]=4 884 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)C 62a_100000033847_200016082925 [0,1,0,0,0,0|2,0,0]=3 885 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)C 62a_200016082925_100000033847 [0,1,0,0,0,0|2,0,0]=3 886 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)Cl 62a_100000043165_200016082925 [0,1,0,0,0,0|3,0,0]=4 887 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)Cl 62a_200016082925_100000043165 [0,1,0,0,0,0|3,0,0]=4 888 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)F 62a_100011218421_200016082925 [0,1,0,0,0,0|3,0,0]=4 889 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)F 62a_200016082925_100011218421 [0,1,0,0,0,0|3,0,0]=4 890 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)N 62a_100000684715_200016082925 [0,1,0,0,0,0|3,0,0]=4 891 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)N 62a_200016082925_100000684715 [0,1,0,0,0,0|3,0,0]=4 892 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)O 62a_100000686692_200016082925 [0,1,0,0,0,0|3,0,0]=4 893 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)Br)O 62a_200016082925_100000686692 [0,1,0,0,0,0|3,0,0]=4 894 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)Br 62a_100010141302_200015188442 [0,1,0,0,0,0|3,0,0]=4 895 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)Br 62a_200015188442_100010141302 [0,1,0,0,0,0|3,0,0]=4 896 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)C 62a_100000033847_200015188442 [0,1,0,0,0,0|2,0,0]=3 897 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)C 62a_200015188442_100000033847 [0,1,0,0,0,0|2,0,0]=3 898 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)Cl 62a_100000043165_200015188442 [0,1,0,0,0,0|3,0,0]=4 899 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)Cl 62a_200015188442_100000043165 [0,1,0,0,0,0|3,0,0]=4 900 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)F 62a_100011218421_200015188442 [0,1,0,0,0,0|3,0,0]=4 901 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)F 62a_200015188442_100011218421 [0,1,0,0,0,0|3,0,0]=4 902 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)N 62a_100000684715_200015188442 [0,1,0,0,0,0|3,0,0]=4 903 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)N 62a_200015188442_100000684715 [0,1,0,0,0,0|3,0,0]=4 904 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)O 62a_100000686692_200015188442 [0,1,0,0,0,0|3,0,0]=4 905 B16R2.11484 Cc1cccc(c1Sc2nc(cs2)N)O 62a_200015188442_100000686692 [0,1,0,0,0,0|3,0,0]=4 906 B16R2.11484 Cc1cccc(c1Sc2ncn(n2)C)C 62a_100000033847_100009819955 [0,1,0,0,0,0|2,0,1]=4 907 B16R2.11484 Cc1cccc(c1Sc2ncn(n2)C)C 62a_100009819955_100000033847 [0,1,0,0,0,0|2,0,1]=4 908 B16R2.11484 Cc1cccc(c1Sc2nnc(s2)N)C 62a_100000033847_100000738278 [0,1,0,0,0,0|3,0,0]=4 909 B16R2.11484 Cc1cccc(c1Sc2nnc(s2)N)C 62a_100000738278_100000033847 [0,1,0,0,0,0|3,0,0]=4 910 B16R2.11484 Cc1ccnc(c1Sc2nc(cs2)Br)C 62a_100012000501_200016082925 [0,1,0,0,0,0|3,0,0]=4 911 B16R2.11484 Cc1ccnc(c1Sc2nc(cs2)Br)C 62a_200016082925_100012000501 [0,1,0,0,0,0|3,0,0]=4 912 B16R2.11484 Cc1ccnc(c1Sc2nc(cs2)N)C 62a_100012000501_200015188442 [0,1,0,0,0,0|3,0,0]=4 913 B16R2.11484 Cc1ccnc(c1Sc2nc(cs2)N)C 62a_200015188442_100012000501 [0,1,0,0,0,0|3,0,0]=4 914 B16R2.11484 Cc1cn(nn1)Cc2c(cccc2C)C 274090a_100000758300_200000242740 [0,1,0,0,0,0|3,0,0]=4 915 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2Br)C 62a_100000690809_100010141302 [0,1,0,0,0,0|3,0,0]=4 916 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2Br)C 62a_100010141302_100000690809 [0,1,0,0,0,0|3,0,0]=4 917 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2C)C 62a_100000033847_100000690809 [0,1,0,0,0,0|2,0,0]=3 918 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2C)C 62a_100000690809_100000033847 [0,1,0,0,0,0|2,0,0]=3 919 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2Cl)C 62a_100000043165_100000690809 [0,1,0,0,0,0|3,0,0]=4 920 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2Cl)C 62a_100000690809_100000043165 [0,1,0,0,0,0|3,0,0]=4 921 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2F)C 62a_100000690809_100011218421 [0,1,0,0,0,0|3,0,0]=4 922 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2F)C 62a_100011218421_100000690809 [0,1,0,0,0,0|3,0,0]=4 923 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2N)C 62a_100000684715_100000690809 [0,1,0,0,0,0|3,0,0]=4 924 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2N)C 62a_100000690809_100000684715 [0,1,0,0,0,0|3,0,0]=4 925 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2O)C 62a_100000686692_100000690809 [0,1,0,0,0,0|3,0,0]=4 926 B16R2.11484 Cc1cnc(s1)Sc2c(cccc2O)C 62a_100000690809_100000686692 [0,1,0,0,0,0|3,0,0]=4 927 B16R2.11484 Cc1cnc(s1)Sc2c(ccnc2C)C 62a_100000690809_100012000501 [0,1,0,0,0,0|3,0,0]=4 928 B16R2.11484 Cc1cnc(s1)Sc2c(ccnc2C)C 62a_100012000501_100000690809 [0,1,0,0,0,0|3,0,0]=4 929 B16R2.11484 Cc1cnc(s1)Sc2c(cncc2C)C 62a_100000690809_100009817138 [0,1,0,0,0,0|3,0,0]=4 930 B16R2.11484 Cc1cnc(s1)Sc2c(cncc2C)C 62a_100009817138_100000690809 [0,1,0,0,0,0|3,0,0]=4 931 B16R2.11484 Cc1cncc(c1Sc2nc(cs2)Br)C 62a_100009817138_200016082925 [0,1,0,0,0,0|3,0,0]=4 932 B16R2.11484 Cc1cncc(c1Sc2nc(cs2)Br)C 62a_200016082925_100009817138 [0,1,0,0,0,0|3,0,0]=4 933 B16R2.11484 Cc1cncc(c1Sc2nc(cs2)N)C 62a_100009817138_200015188442 [0,1,0,0,0,0|3,0,0]=4 934 B16R2.11484 Cc1cncc(c1Sc2nc(cs2)N)C 62a_200015188442_100009817138 [0,1,0,0,0,0|3,0,0]=4 935 B16R2.11484 Cc1csc(c1)Sc2c(cccc2C)C 62a_100000033847_100009876951 [0,1,0,0,0,0|3,0,0]=4 936 B16R2.11484 Cc1csc(c1)Sc2c(cccc2C)C 62a_100009876951_100000033847 [0,1,0,0,0,0|3,0,0]=4 937 B16R2.11484 Cc1csc(n1)Sc2c(cccc2Br)C 62a_100010141302_100011291629 [0,1,0,0,0,0|3,0,0]=4 938 B16R2.11484 Cc1csc(n1)Sc2c(cccc2Br)C 62a_100011291629_100010141302 [0,1,0,0,0,0|3,0,0]=4 939 B16R2.11484 Cc1csc(n1)Sc2c(cccc2C)C 62a_100000033847_100011291629 [0,1,0,0,0,0|2,0,0]=3 940 B16R2.11484 Cc1csc(n1)Sc2c(cccc2C)C 62a_100011291629_100000033847 [0,1,0,0,0,0|2,0,0]=3 941 B16R2.11484 Cc1csc(n1)Sc2c(cccc2Cl)C 62a_100000043165_100011291629 [0,1,0,0,0,0|3,0,0]=4 942 B16R2.11484 Cc1csc(n1)Sc2c(cccc2Cl)C 62a_100011291629_100000043165 [0,1,0,0,0,0|3,0,0]=4 943 B16R2.11484 Cc1csc(n1)Sc2c(cccc2F)C 62a_100011218421_100011291629 [0,1,0,0,0,0|3,0,0]=4 944 B16R2.11484 Cc1csc(n1)Sc2c(cccc2F)C 62a_100011291629_100011218421 [0,1,0,0,0,0|3,0,0]=4 945 B16R2.11484 Cc1csc(n1)Sc2c(cccc2N)C 62a_100000684715_100011291629 [0,1,0,0,0,0|3,0,0]=4 946 B16R2.11484 Cc1csc(n1)Sc2c(cccc2N)C 62a_100011291629_100000684715 [0,1,0,0,0,0|3,0,0]=4 947 B16R2.11484 Cc1csc(n1)Sc2c(cccc2O)C 62a_100000686692_100011291629 [0,1,0,0,0,0|3,0,0]=4 948 B16R2.11484 Cc1csc(n1)Sc2c(cccc2O)C 62a_100011291629_100000686692 [0,1,0,0,0,0|3,0,0]=4 949 B16R2.11484 Cc1csc(n1)Sc2c(ccnc2C)C 62a_100011291629_100012000501 [0,1,0,0,0,0|3,0,0]=4 950 B16R2.11484 Cc1csc(n1)Sc2c(ccnc2C)C 62a_100012000501_100011291629 [0,1,0,0,0,0|3,0,0]=4 951 B16R2.11484 Cc1csc(n1)Sc2c(cncc2C)C 62a_100009817138_100011291629 [0,1,0,0,0,0|3,0,0]=4 952 B16R2.11484 Cc1csc(n1)Sc2c(cncc2C)C 62a_100011291629_100009817138 [0,1,0,0,0,0|3,0,0]=4 953 B16R2.11484 Cc1nc(c[nH]1)Sc2c(cccc2C)C 62a_100000033847_100009814057 [0,1,0,0,0,0|3,0,0]=4 954 B16R2.11484 Cc1nc(c[nH]1)Sc2c(cccc2C)C 62a_100009814057_100000033847 [0,1,0,0,0,0|3,0,0]=4 955 B16R2.11484 Cc1nc(cs1)Sc2c(cccc2C)C 62a_100000033847_100011934587 [0,1,0,0,0,0|3,0,0]=4 956 B16R2.11484 Cc1nc(cs1)Sc2c(cccc2C)C 62a_100011934587_100000033847 [0,1,0,0,0,0|3,0,0]=4 957 B16R2.11484 Cc1nc(n[nH]1)Sc2c(cccc2C)C 62a_100000033847_100000732540 [0,1,0,0,0,0|2,0,1]=4 958 B16R2.11484 Cc1nc(n[nH]1)Sc2c(cccc2C)C 62a_100000732540_100000033847 [0,1,0,0,0,0|2,0,1]=4 959 B16R2.11484 Cc1nc(no1)Cc2c(cccc2Br)C 270196a_100010147027_100000070787 [0,1,0,0,0,0|2,0,1]=4 960 B16R2.11484 Cc1nc(no1)Cc2c(cccc2C)C 270196a_200011933933_100000070787 [0,1,0,0,0,0|1,0,1]=3 961 B16R2.11484 Cc1nc(no1)Nc2c(cccc2C)C 27a_100000185769_100012003639 [0,1,0,0,0,0|2,0,1]=4 962 B16R2.11484 Cc1nc(no1)Sc2c(cccc2C)C 62a_100000033847_100012003639 [0,1,0,0,0,0|2,0,1]=4 963 B16R2.11484 Cc1nc(no1)Sc2c(cccc2C)C 62a_100012003639_100000033847 [0,1,0,0,0,0|2,0,1]=4 964 B16R2.11484 Cc1nnc(o1)Nc2c(cccc2C)C 27a_100000185769_100000708914 [0,1,0,0,0,0|3,0,0]=4 965 B16R2.11484 Cc1nnc(o1)Sc2c(cccc2C)C 62a_100000033847_100000708914 [0,1,0,0,0,0|3,0,0]=4 966 B16R2.11484 Cc1nnc(s1)Nc2c(cccc2C)C 27a_100000185769_100000686958 [0,1,0,0,0,0|3,0,0]=4 967 B16R2.11484 Cc1nnc(s1)Sc2c(cccc2C)C 62a_100000033847_100000686958 [0,1,0,0,0,0|3,0,0]=4 968 B16R2.11484 Cc1nnc(s1)Sc2c(cccc2C)C 62a_100000686958_100000033847 [0,1,0,0,0,0|3,0,0]=4 969 B16R2.11484 Cc1noc(n1)Cc2c(cccc2Br)C 270196a_100000212224_100010147022 [0,1,0,0,0,0|3,0,0]=4 970 B16R2.11484 Cc1noc(n1)Cc2c(cccc2C)C 270196a_100000212224_100000689862 [0,1,0,0,0,0|2,0,0]=3 971 B16R2.11484 Cc1nsc(n1)Nc2c(cccc2C)C 27a_100000185769_100000709739 [0,1,0,0,0,0|3,0,0]=4 972 B16R2.11484 Cc1nsc(n1)Sc2c(cccc2C)C 62a_100000033847_100000709739 [0,1,0,0,0,0|3,0,0]=4 973 B16R2.11484 Cc1nsc(n1)Sc2c(cccc2C)C 62a_100000709739_100000033847 [0,1,0,0,0,0|3,0,0]=4 974 B16R2.14153 Cc1c[nH]nc1Sc2c(cccc2C)C 62a_100000033847_100009871783 [0,1,0,0,0,0|3,0,0]=4 975 B16R2.14153 Cc1c[nH]nc1Sc2c(cccc2C)C 62a_100009871783_100000033847 [0,1,0,0,0,0|3,0,0]=4 976 B16R2.14153 Cc1ccc[n+](c1Sc2nccn2C)[O-] 62a_100000707724_100116209805 [0,1,0,0,0,0|3,0,0]=4 977 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)Br 27a_100011834072_100000732653 [0,1,0,0,0,0|3,0,0]=4 978 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)C 27a_100000185769_100000732653 [0,1,0,0,0,0|2,0,0]=3 979 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)Cl 27a_100000756524_100000732653 [0,1,0,0,0,0|3,0,0]=4 980 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)F 27a_100000766463_100000732653 [0,1,0,0,0,0|3,0,0]=4 981 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)O 27a_100000743429_100000732653 [0,1,0,0,0,0|3,0,0]=4 982 B16R2.14153 Cc1cccc(c1Sc2[nH]cnc2Cl)C 62a_100000033847_100010200774 [0,1,0,0,0,0|3,0,0]=4 983 B16R2.14153 Cc1cccc(c1Sc2[nH]cnc2Cl)C 62a_100010200774_100000033847 [0,1,0,0,0,0|3,0,0]=4 984 B16R2.14153 Cc1cccc(c1Sc2ccnn2C)C 62a_100000033847_100000688441 [0,1,0,0,0,0|3,0,0]=4 985 B16R2.14153 Cc1cccc(c1Sc2ccnn2C)C 62a_100000688441_100000033847 [0,1,0,0,0,0|3,0,0]=4 986 B16R2.14153 Cc1cccc(c1Sc2cncn2C)C 62a_100000033847_100009814087 [0,1,0,0,0,0|3,0,0]=4 987 B16R2.14153 Cc1cccc(c1Sc2cncn2C)C 62a_100009814087_100000033847 [0,1,0,0,0,0|3,0,0]=4 988 B16R2.14153 Cc1cccc(c1Sc2n[nH]cc2Br)C 62a_100000033847_100015839836 [0,1,0,0,0,0|3,0,0]=4 989 B16R2.14153 Cc1cccc(c1Sc2n[nH]cc2Br)C 62a_100015839836_100000033847 [0,1,0,0,0,0|3,0,0]=4 990 B16R2.14153 Cc1cccc(c1Sc2n[nH]cc2N)C 62a_100000033847_100010894806 [0,1,0,0,0,0|3,0,0]=4 991 B16R2.14153 Cc1cccc(c1Sc2n[nH]cc2N)C 62a_100010894806_100000033847 [0,1,0,0,0,0|3,0,0]=4 992 B16R2.14153 Cc1cccc(c1Sc2nc[nH]c2C)C 62a_100000033847_100010186451 [0,1,0,0,0,0|3,0,0]=4 993 B16R2.14153 Cc1cccc(c1Sc2nc[nH]c2C)C 62a_100010186451_100000033847 [0,1,0,0,0,0|3,0,0]=4 994 B16R2.14153 Cc1cccc(c1Sc2nccn2C)Br 62a_100000707724_100010141302 [0,1,0,0,0,0|2,0,0]=3 995 B16R2.14153 Cc1cccc(c1Sc2nccn2C)Br 62a_100010141302_100000707724 [0,1,0,0,0,0|2,0,0]=3 996 B16R2.14153 Cc1cccc(c1Sc2nccn2C)C 62a_100000033847_100000707724 [0,1,0,0,0,0|1,0,0]=2 997 B16R2.14153 Cc1cccc(c1Sc2nccn2C)C 62a_100000707724_100000033847 [0,1,0,0,0,0|1,0,0]=2 998 B16R2.14153 Cc1cccc(c1Sc2nccn2C)Cl 62a_100000043165_100000707724 [0,1,0,0,0,0|2,0,0]=3 999 B16R2.14153 Cc1cccc(c1Sc2nccn2C)Cl 62a_100000707724_100000043165 [0,1,0,0,0,0|2,0,0]=3 1000 B16R2.14153 Cc1cccc(c1Sc2nccn2C)F 62a_100000707724_100011218421 [0,1,0,0,0,0|2,0,0]=3 1001 B16R2.14153 Cc1cccc(c1Sc2nccn2C)F 62a_100011218421_100000707724 [0,1,0,0,0,0|2,0,0]=3 1002 B16R2.14153 Cc1cccc(c1Sc2nccn2C)N 62a_100000684715_100000707724 [0,1,0,0,0,0|2,0,0]=3 1003 B16R2.14153 Cc1cccc(c1Sc2nccn2C)N 62a_100000707724_100000684715 [0,1,0,0,0,0|2,0,0]=3 1004 B16R2.14153 Cc1cccc(c1Sc2nccn2C)O 62a_100000686692_100000707724 [0,1,0,0,0,0|2,0,0]=3 1005 B16R2.14153 Cc1cccc(c1Sc2nccn2C)O 62a_100000707724_100000686692 [0,1,0,0,0,0|2,0,0]=3 1006 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)Br 62a_100000732653_100010141302 [0,1,0,0,0,0|3,0,0]=4 1007 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)Br 62a_100010141302_100000732653 [0,1,0,0,0,0|3,0,0]=4 1008 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)C 62a_100000033847_100000732653 [0,1,0,0,0,0|2,0,0]=3 1009 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)C 62a_100000732653_100000033847 [0,1,0,0,0,0|2,0,0]=3 1010 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)Cl 62a_100000043165_100000732653 [0,1,0,0,0,0|3,0,0]=4 1011 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)Cl 62a_100000732653_100000043165 [0,1,0,0,0,0|3,0,0]=4 1012 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)F 62a_100000732653_100011218421 [0,1,0,0,0,0|3,0,0]=4 1013 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)F 62a_100011218421_100000732653 [0,1,0,0,0,0|3,0,0]=4 1014 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)N 62a_100000684715_100000732653 [0,1,0,0,0,0|3,0,0]=4 1015 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)N 62a_100000732653_100000684715 [0,1,0,0,0,0|3,0,0]=4 1016 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)O 62a_100000686692_100000732653 [0,1,0,0,0,0|3,0,0]=4 1017 B16R2.14153 Cc1cccc(c1Sc2ncnn2C)O 62a_100000732653_100000686692 [0,1,0,0,0,0|3,0,0]=4 1018 B16R2.14153 Cc1cccc(c1Sc2ncsc2C)C 62a_100000033847_100000732656 [0,1,0,0,0,0|3,0,0]=4 1019 B16R2.14153 Cc1cccc(c1Sc2ncsc2C)C 62a_100000732656_100000033847 [0,1,0,0,0,0|3,0,0]=4 1020 B16R2.14153 Cc1cccc(c1Sc2sccc2Br)C 62a_100000033847_100012361411 [0,1,0,0,0,0|3,0,0]=4 1021 B16R2.14153 Cc1cccc(c1Sc2sccc2Br)C 62a_100012361411_100000033847 [0,1,0,0,0,0|3,0,0]=4 1022 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)C 62a_100000707724_100012000501 [0,1,0,0,0,0|2,0,0]=3 1023 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)C 62a_100012000501_100000707724 [0,1,0,0,0,0|2,0,0]=3 1024 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)Cl 62a_100000707724_100010248874 [0,1,0,0,0,0|3,0,0]=4 1025 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)Cl 62a_100010248874_100000707724 [0,1,0,0,0,0|3,0,0]=4 1026 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)F 62a_100000707724_100009818256 [0,1,0,0,0,0|3,0,0]=4 1027 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)F 62a_100009818256_100000707724 [0,1,0,0,0,0|3,0,0]=4 1028 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)N 62a_100000707724_100011998619 [0,1,0,0,0,0|3,0,0]=4 1029 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)N 62a_100011998619_100000707724 [0,1,0,0,0,0|3,0,0]=4 1030 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)O 62a_100000707724_100012000493 [0,1,0,0,0,0|3,0,0]=4 1031 B16R2.14153 Cc1ccnc(c1Sc2nccn2C)O 62a_100012000493_100000707724 [0,1,0,0,0,0|3,0,0]=4 1032 B16R2.14153 Cc1ccnc(c1Sc2ncnn2C)C 62a_100000732653_100012000501 [0,1,0,0,0,0|3,0,0]=4 1033 B16R2.14153 Cc1ccnc(c1Sc2ncnn2C)C 62a_100012000501_100000732653 [0,1,0,0,0,0|3,0,0]=4 1034 B16R2.14153 Cc1ccsc1Sc2c(cccc2C)C 62a_100000033847_100010247149 [0,1,0,0,0,0|3,0,0]=4 1035 B16R2.14153 Cc1ccsc1Sc2c(cccc2C)C 62a_100010247149_100000033847 [0,1,0,0,0,0|3,0,0]=4 1036 B16R2.14153 Cc1cncc(c1Sc2nccn2C)C 62a_100000707724_100009817138 [0,1,0,0,0,0|2,0,0]=3 1037 B16R2.14153 Cc1cncc(c1Sc2nccn2C)C 62a_100009817138_100000707724 [0,1,0,0,0,0|2,0,0]=3 1038 B16R2.14153 Cc1cncc(c1Sc2ncnn2C)C 62a_100000732653_100009817138 [0,1,0,0,0,0|3,0,0]=4 1039 B16R2.14153 Cc1cncc(c1Sc2ncnn2C)C 62a_100009817138_100000732653 [0,1,0,0,0,0|3,0,0]=4 1040 B16R2.14153 Cc1nccc(c1Sc2nccn2C)N 62a_100000707724_100010243816 [0,1,0,0,0,0|3,0,0]=4 1041 B16R2.14153 Cc1nccc(c1Sc2nccn2C)N 62a_100010243816_100000707724 [0,1,0,0,0,0|3,0,0]=4 1042 B16R2.14153 Cc1ncnc(c1Sc2nccn2C)C 62a_100000707724_100009820708 [0,1,0,0,0,0|3,0,0]=4 1043 B16R2.14153 Cc1ncnc(c1Sc2nccn2C)C 62a_100009820708_100000707724 [0,1,0,0,0,0|3,0,0]=4 1044 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)Br 62a_100000707724_100009994525 [0,1,0,0,0,0|3,0,0]=4 1045 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)Br 62a_100009994525_100000707724 [0,1,0,0,0,0|3,0,0]=4 1046 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)Cl 62a_100000707724_100010214488 [0,1,0,0,0,0|3,0,0]=4 1047 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)Cl 62a_100010214488_100000707724 [0,1,0,0,0,0|3,0,0]=4 1048 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)F 62a_100000707724_100011219512 [0,1,0,0,0,0|3,0,0]=4 1049 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)F 62a_100011219512_100000707724 [0,1,0,0,0,0|3,0,0]=4 1050 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)N 62a_100000707724_100020590159 [0,1,0,0,0,0|3,0,0]=4 1051 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)N 62a_100020590159_100000707724 [0,1,0,0,0,0|3,0,0]=4 1052 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)O 62a_100000707724_100010187912 [0,1,0,0,0,0|3,0,0]=4 1053 B16R2.14153 Cn1ccnc1Sc2c(cccc2Br)O 62a_100010187912_100000707724 [0,1,0,0,0,0|3,0,0]=4 1054 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)Cl 62a_100000034237_100000707724 [0,1,0,0,0,0|3,0,0]=4 1055 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)Cl 62a_100000707724_100000034237 [0,1,0,0,0,0|3,0,0]=4 1056 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)F 62a_100000050007_100000707724 [0,1,0,0,0,0|3,0,0]=4 1057 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)F 62a_100000707724_100000050007 [0,1,0,0,0,0|3,0,0]=4 1058 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)N 62a_100000049713_100000707724 [0,1,0,0,0,0|3,0,0]=4 1059 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)N 62a_100000707724_100000049713 [0,1,0,0,0,0|3,0,0]=4 1060 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)O 62a_100000707724_100000050174 [0,1,0,0,0,0|3,0,0]=4 1061 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)F 62a_100000693133_100000707724 [0,1,0,0,0,0|3,0,0]=4 1062 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)F 62a_100000707724_100000693133 [0,1,0,0,0,0|3,0,0]=4 1063 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)N 62a_100000690935_100000707724 [0,1,0,0,0,0|3,0,0]=4 1064 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)N 62a_100000707724_100000690935 [0,1,0,0,0,0|3,0,0]=4 1065 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)O 62a_100000707724_100009820682 [0,1,0,0,0,0|3,0,0]=4 1066 B16R2.14153 Cn1ccnc1Sc2c(cccc2F)O 62a_100009820682_100000707724 [0,1,0,0,0,0|3,0,0]=4 1067 B16R2.14153 Cn1ccnc1Sc2c(cccc2O)N 62a_100000707724_100012183704 [0,1,0,0,0,0|3,0,0]=4 1068 B16R2.14153 Cn1ccnc1Sc2c(cccc2O)N 62a_100012183704_100000707724 [0,1,0,0,0,0|3,0,0]=4 1069 B16R2.14153 Cn1ccnc1Sc2c(cccc2O)O 62a_100000707724_100010205330 [0,1,0,0,0,0|3,0,0]=4 1070 B16R2.25684 Cc1cccc(c1N(C)c2ncns2)C 27a_100011645471_100000693119 [0,1,0,0,0,0|3,0,0]=4 1071 B16R2.25684 Cc1cccc(c1N(C)c2nncs2)C 27a_100011645471_100000739804 [0,1,0,0,0,0|3,0,0]=4 1072 B16R2.26187 Cc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100010167959_100025796157 [0,1,0,0,0,0|2,0,0]=3 1073 B16R2.26187 Cc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100010167959 [0,1,0,0,0,0|2,0,0]=3 1074 B16R2.26187 Cc1c(ccc(c1Sc2ncco2)F)F 62a_100010167959_100011787736 [0,1,0,0,0,0|3,0,0]=4 1075 B16R2.26187 Cc1c(ccc(c1Sc2ncco2)F)F 62a_100011787736_100010167959 [0,1,0,0,0,0|3,0,0]=4 1076 B16R2.26187 Cc1c(ccc(c1Sc2nccs2)F)F 62a_100000211983_100010167959 [0,1,0,0,0,0|3,0,0]=4 1077 B16R2.26187 Cc1c(ccc(c1Sc2nccs2)F)F 62a_100010167959_100000211983 [0,1,0,0,0,0|3,0,0]=4 1078 B16R2.26187 Cc1c(cnc(c1Sc2ncc[nH]2)N)Br 62a_100010254231_100025796157 [0,1,0,0,0,0|3,0,0]=4 1079 B16R2.26187 Cc1c(cnc(c1Sc2ncc[nH]2)N)Br 62a_100025796157_100010254231 [0,1,0,0,0,0|3,0,0]=4 1080 B16R2.26187 Cc1ccc(c(c1C)Nc2ncns2)C 27a_100000117417_100000693119 [0,1,0,0,0,0|3,0,0]=4 1081 B16R2.26187 Cc1ccc(c(c1C)Nc2nncs2)C 27a_100000117417_100000739804 [0,1,0,0,0,0|3,0,0]=4 1082 B16R2.26187 Cc1ccc(c(c1Nc2ncns2)C)Br 27a_200010074581_100000693119 [0,1,0,0,0,0|3,0,0]=4 1083 B16R2.26187 Cc1ccc(c(c1Nc2ncns2)C)Cl 27a_200020642106_100000693119 [0,1,0,0,0,0|3,0,0]=4 1084 B16R2.26187 Cc1ccc(c(c1Nc2ncns2)C)I 27a_200010115591_100000693119 [0,1,0,0,0,0|3,0,0]=4 1085 B16R2.26187 Cc1ccc(c(c1Nc2nncs2)C)Br 27a_200010074581_100000739804 [0,1,0,0,0,0|3,0,0]=4 1086 B16R2.26187 Cc1ccc(c(c1Nc2nncs2)C)Cl 27a_200020642106_100000739804 [0,1,0,0,0,0|3,0,0]=4 1087 B16R2.26187 Cc1ccc(c(c1Nc2nncs2)C)I 27a_200010115591_100000739804 [0,1,0,0,0,0|3,0,0]=4 1088 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)F 62a_100000756875_100011068659 [0,1,0,0,0,0|3,0,0]=4 1089 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)F 62a_100011068659_100000756875 [0,1,0,0,0,0|3,0,0]=4 1090 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)N 62a_100000756875_106354213274 [0,1,0,0,0,0|3,0,0]=4 1091 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)N 62a_106354213274_100000756875 [0,1,0,0,0,0|3,0,0]=4 1092 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)O 62a_100000756875_100010659238 [0,1,0,0,0,0|3,0,0]=4 1093 B16R2.26187 Cc1ccc(c(c1Sc2c[nH]cn2)C)O 62a_100010659238_100000756875 [0,1,0,0,0,0|3,0,0]=4 1094 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)F 62a_100000062575_100011068659 [0,1,0,0,0,0|3,0,0]=4 1095 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)F 62a_100011068659_100000062575 [0,1,0,0,0,0|3,0,0]=4 1096 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)N 62a_100000062575_106354213274 [0,1,0,0,0,0|3,0,0]=4 1097 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)N 62a_106354213274_100000062575 [0,1,0,0,0,0|3,0,0]=4 1098 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)O 62a_100000062575_100010659238 [0,1,0,0,0,0|3,0,0]=4 1099 B16R2.26187 Cc1ccc(c(c1Sc2cc[nH]n2)C)O 62a_100010659238_100000062575 [0,1,0,0,0,0|3,0,0]=4 1100 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)F 62a_100009814098_100011068659 [0,1,0,0,0,0|3,0,0]=4 1101 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)F 62a_100011068659_100009814098 [0,1,0,0,0,0|3,0,0]=4 1102 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)N 62a_100009814098_106354213274 [0,1,0,0,0,0|3,0,0]=4 1103 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)N 62a_106354213274_100009814098 [0,1,0,0,0,0|3,0,0]=4 1104 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)O 62a_100009814098_100010659238 [0,1,0,0,0,0|3,0,0]=4 1105 B16R2.26187 Cc1ccc(c(c1Sc2ccco2)C)O 62a_100010659238_100009814098 [0,1,0,0,0,0|3,0,0]=4 1106 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)F 62a_100011068659_100011215356 [0,1,0,0,0,0|3,0,0]=4 1107 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)F 62a_100011215356_100011068659 [0,1,0,0,0,0|3,0,0]=4 1108 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)N 62a_100011215356_106354213274 [0,1,0,0,0,0|3,0,0]=4 1109 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)N 62a_106354213274_100011215356 [0,1,0,0,0,0|3,0,0]=4 1110 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)O 62a_100010659238_100011215356 [0,1,0,0,0,0|3,0,0]=4 1111 B16R2.26187 Cc1ccc(c(c1Sc2cccs2)C)O 62a_100011215356_100010659238 [0,1,0,0,0,0|3,0,0]=4 1112 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)F 62a_100009818083_100011068659 [0,1,0,0,0,0|3,0,0]=4 1113 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)F 62a_100011068659_100009818083 [0,1,0,0,0,0|3,0,0]=4 1114 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)N 62a_100009818083_106354213274 [0,1,0,0,0,0|3,0,0]=4 1115 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)N 62a_106354213274_100009818083 [0,1,0,0,0,0|3,0,0]=4 1116 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)O 62a_100009818083_100010659238 [0,1,0,0,0,0|3,0,0]=4 1117 B16R2.26187 Cc1ccc(c(c1Sc2ccon2)C)O 62a_100010659238_100009818083 [0,1,0,0,0,0|3,0,0]=4 1118 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)F 62a_100009818082_100011068659 [0,1,0,0,0,0|3,0,0]=4 1119 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)F 62a_100011068659_100009818082 [0,1,0,0,0,0|3,0,0]=4 1120 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)N 62a_100009818082_106354213274 [0,1,0,0,0,0|3,0,0]=4 1121 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)N 62a_106354213274_100009818082 [0,1,0,0,0,0|3,0,0]=4 1122 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)O 62a_100009818082_100010659238 [0,1,0,0,0,0|3,0,0]=4 1123 B16R2.26187 Cc1ccc(c(c1Sc2ccsn2)C)O 62a_100010659238_100009818082 [0,1,0,0,0,0|3,0,0]=4 1124 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)F 62a_100000751502_100011068659 [0,1,0,0,0,0|3,0,0]=4 1125 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)F 62a_100011068659_100000751502 [0,1,0,0,0,0|3,0,0]=4 1126 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)N 62a_100000751502_106354213274 [0,1,0,0,0,0|3,0,0]=4 1127 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)N 62a_106354213274_100000751502 [0,1,0,0,0,0|3,0,0]=4 1128 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)O 62a_100000751502_100010659238 [0,1,0,0,0,0|3,0,0]=4 1129 B16R2.26187 Cc1ccc(c(c1Sc2cscn2)C)O 62a_100010659238_100000751502 [0,1,0,0,0,0|3,0,0]=4 1130 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)F 62a_100000761765_100011068659 [0,1,0,0,0,0|2,0,1]=4 1131 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)F 62a_100011068659_100000761765 [0,1,0,0,0,0|2,0,1]=4 1132 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)N 62a_100000761765_106354213274 [0,1,0,0,0,0|2,0,1]=4 1133 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)N 62a_106354213274_100000761765 [0,1,0,0,0,0|2,0,1]=4 1134 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)O 62a_100000761765_100010659238 [0,1,0,0,0,0|2,0,1]=4 1135 B16R2.26187 Cc1ccc(c(c1Sc2nc[nH]n2)C)O 62a_100010659238_100000761765 [0,1,0,0,0,0|2,0,1]=4 1136 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)F 62a_100011068659_100025796157 [0,1,0,0,0,0|1,0,0]=2 1137 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)F 62a_100025796157_100011068659 [0,1,0,0,0,0|1,0,0]=2 1138 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)N 62a_100025796157_106354213274 [0,1,0,0,0,0|1,0,0]=2 1139 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)N 62a_106354213274_100025796157 [0,1,0,0,0,0|1,0,0]=2 1140 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)O 62a_100010659238_100025796157 [0,1,0,0,0,0|1,0,0]=2 1141 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)C)O 62a_100025796157_100010659238 [0,1,0,0,0,0|1,0,0]=2 1142 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)O)F 62a_100025796157_200010223207 [0,1,0,0,0,0|2,0,0]=3 1143 B16R2.26187 Cc1ccc(c(c1Sc2ncc[nH]2)O)F 62a_200010223207_100025796157 [0,1,0,0,0,0|2,0,0]=3 1144 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)F 62a_100011068659_100011787736 [0,1,0,0,0,0|2,0,0]=3 1145 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)F 62a_100011787736_100011068659 [0,1,0,0,0,0|2,0,0]=3 1146 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)N 62a_100011787736_106354213274 [0,1,0,0,0,0|2,0,0]=3 1147 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)N 62a_106354213274_100011787736 [0,1,0,0,0,0|2,0,0]=3 1148 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)O 62a_100010659238_100011787736 [0,1,0,0,0,0|2,0,0]=3 1149 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)C)O 62a_100011787736_100010659238 [0,1,0,0,0,0|2,0,0]=3 1150 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)O)F 62a_100011787736_200010223207 [0,1,0,0,0,0|3,0,0]=4 1151 B16R2.26187 Cc1ccc(c(c1Sc2ncco2)O)F 62a_200010223207_100011787736 [0,1,0,0,0,0|3,0,0]=4 1152 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)F 62a_100000211983_100011068659 [0,1,0,0,0,0|2,0,0]=3 1153 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)F 62a_100011068659_100000211983 [0,1,0,0,0,0|2,0,0]=3 1154 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)N 62a_100000211983_106354213274 [0,1,0,0,0,0|2,0,0]=3 1155 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)N 62a_106354213274_100000211983 [0,1,0,0,0,0|2,0,0]=3 1156 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)O 62a_100000211983_100010659238 [0,1,0,0,0,0|2,0,0]=3 1157 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)C)O 62a_100010659238_100000211983 [0,1,0,0,0,0|2,0,0]=3 1158 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)O)F 62a_100000211983_200010223207 [0,1,0,0,0,0|3,0,0]=4 1159 B16R2.26187 Cc1ccc(c(c1Sc2nccs2)O)F 62a_200010223207_100000211983 [0,1,0,0,0,0|3,0,0]=4 1160 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)F 62a_100000693119_100011068659 [0,1,0,0,0,0|3,0,0]=4 1161 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)F 62a_100011068659_100000693119 [0,1,0,0,0,0|3,0,0]=4 1162 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)N 62a_100000693119_106354213274 [0,1,0,0,0,0|3,0,0]=4 1163 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)N 62a_106354213274_100000693119 [0,1,0,0,0,0|3,0,0]=4 1164 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)O 62a_100000693119_100010659238 [0,1,0,0,0,0|3,0,0]=4 1165 B16R2.26187 Cc1ccc(c(c1Sc2ncns2)C)O 62a_100010659238_100000693119 [0,1,0,0,0,0|3,0,0]=4 1166 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)F 62a_100000739804_100011068659 [0,1,0,0,0,0|3,0,0]=4 1167 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)F 62a_100011068659_100000739804 [0,1,0,0,0,0|3,0,0]=4 1168 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)N 62a_100000739804_106354213274 [0,1,0,0,0,0|3,0,0]=4 1169 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)N 62a_106354213274_100000739804 [0,1,0,0,0,0|3,0,0]=4 1170 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)O 62a_100000739804_100010659238 [0,1,0,0,0,0|3,0,0]=4 1171 B16R2.26187 Cc1ccc(c(c1Sc2nncs2)C)O 62a_100010659238_100000739804 [0,1,0,0,0,0|3,0,0]=4 1172 B16R2.26187 Cc1cnc(c(c1Sc2ncc[nH]2)C)F 62a_100011016222_100025796157 [0,1,0,0,0,0|2,0,0]=3 1173 B16R2.26187 Cc1cnc(c(c1Sc2ncc[nH]2)C)F 62a_100025796157_100011016222 [0,1,0,0,0,0|2,0,0]=3 1174 B16R2.26187 Cc1cnc(c(c1Sc2ncco2)C)F 62a_100011016222_100011787736 [0,1,0,0,0,0|3,0,0]=4 1175 B16R2.26187 Cc1cnc(c(c1Sc2ncco2)C)F 62a_100011787736_100011016222 [0,1,0,0,0,0|3,0,0]=4 1176 B16R2.26187 Cc1cnc(c(c1Sc2nccs2)C)F 62a_100000211983_100011016222 [0,1,0,0,0,0|3,0,0]=4 1177 B16R2.26187 Cc1cnc(c(c1Sc2nccs2)C)F 62a_100011016222_100000211983 [0,1,0,0,0,0|3,0,0]=4 1178 B16R2.26187 Cc1ncc(c(c1Sc2ncc[nH]2)C)N 62a_100012352430_100025796157 [0,1,0,0,0,0|2,0,0]=3 1179 B16R2.26187 Cc1ncc(c(c1Sc2ncc[nH]2)C)N 62a_100025796157_100012352430 [0,1,0,0,0,0|2,0,0]=3 1180 B16R2.26187 Cc1ncc(c(c1Sc2ncco2)C)N 62a_100011787736_100012352430 [0,1,0,0,0,0|3,0,0]=4 1181 B16R2.26187 Cc1ncc(c(c1Sc2ncco2)C)N 62a_100012352430_100011787736 [0,1,0,0,0,0|3,0,0]=4 1182 B16R2.26187 Cc1ncc(c(c1Sc2nccs2)C)N 62a_100000211983_100012352430 [0,1,0,0,0,0|3,0,0]=4 1183 B16R2.26187 Cc1ncc(c(c1Sc2nccs2)C)N 62a_100012352430_100000211983 [0,1,0,0,0,0|3,0,0]=4 1184 B16R2.26187 Clc1ccc(c(c1Cl)Sc2ncc[nH]2)Cl 62a_100025796157_200010170825 [0,1,0,0,0,0|3,0,0]=4 1185 B16R2.26187 Clc1ccc(c(c1Cl)Sc2ncc[nH]2)Cl 62a_200010170825_100025796157 [0,1,0,0,0,0|3,0,0]=4 1186 B16R2.26187 Cn1ccc(=O)c(c1Sc2ncc[nH]2)F 62a_100025796157_200010096536 [0,1,0,0,0,0|3,0,0]=4 1187 B16R2.26187 Cn1ccc(=O)c(c1Sc2ncc[nH]2)F 62a_200010096536_100025796157 [0,1,0,0,0,0|3,0,0]=4 1188 B16R2.26187 Fc1c(ccc(c1Sc2ncc[nH]2)Br)Cl 62a_100011084128_100025796157 [0,1,0,0,0,0|3,0,0]=4 1189 B16R2.26187 Fc1c(ccc(c1Sc2ncc[nH]2)Br)Cl 62a_100025796157_100011084128 [0,1,0,0,0,0|3,0,0]=4 1190 B16R2.26187 Fc1c(ccc(c1Sc2ncc[nH]2)Cl)Br 62a_100011092007_100025796157 [0,1,0,0,0,0|3,0,0]=4 1191 B16R2.26187 Fc1c(ccc(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_100011092007 [0,1,0,0,0,0|3,0,0]=4 1192 B16R2.26187 Fc1ccc(c(c1Br)Sc2ncc[nH]2)F 62a_100010167956_100025796157 [0,1,0,0,0,0|3,0,0]=4 1193 B16R2.26187 Fc1ccc(c(c1Br)Sc2ncc[nH]2)F 62a_100025796157_100010167956 [0,1,0,0,0,0|3,0,0]=4 1194 B16R2.26187 Fc1ccc(c(c1Cl)Sc2ncc[nH]2)Br 62a_100025796157_200037249116 [0,1,0,0,0,0|3,0,0]=4 1195 B16R2.26187 Fc1ccc(c(c1Cl)Sc2ncc[nH]2)Br 62a_200037249116_100025796157 [0,1,0,0,0,0|3,0,0]=4 1196 B16R2.26187 Fc1ccc(c(c1Cl)Sc2ncc[nH]2)F 62a_100010167948_100025796157 [0,1,0,0,0,0|3,0,0]=4 1197 B16R2.26187 Fc1ccc(c(c1Cl)Sc2ncc[nH]2)F 62a_100025796157_100010167948 [0,1,0,0,0,0|3,0,0]=4 1198 B16R2.26187 Fc1ccc(c(c1F)Sc2ncc[nH]2)F 62a_100009814005_100025796157 [0,1,0,0,0,0|3,0,0]=4 1199 B16R2.26187 Fc1ccc(c(c1F)Sc2ncc[nH]2)F 62a_100025796157_100009814005 [0,1,0,0,0,0|3,0,0]=4 1200 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)Cl)Cl 62a_100025796157_200015697950 [0,1,0,0,0,0|3,0,0]=4 1201 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)Cl)Cl 62a_200015697950_100025796157 [0,1,0,0,0,0|3,0,0]=4 1202 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)F)Br 62a_100000722365_100025796157 [0,1,0,0,0,0|3,0,0]=4 1203 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)F)Br 62a_100025796157_100000722365 [0,1,0,0,0,0|3,0,0]=4 1204 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)F)Cl 62a_100025796157_200010167938 [0,1,0,0,0,0|3,0,0]=4 1205 B16R2.26187 Fc1ccc(c(c1Sc2ncc[nH]2)F)Cl 62a_200010167938_100025796157 [0,1,0,0,0,0|3,0,0]=4 1206 B16R2.26187 Nc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100014094178_100025796157 [0,1,0,0,0,0|3,0,0]=4 1207 B16R2.26187 Nc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100014094178 [0,1,0,0,0,0|3,0,0]=4 1208 B16R2.26187 Nc1ccc(c(c1F)Sc2ncc[nH]2)F 62a_100010070858_100025796157 [0,1,0,0,0,0|3,0,0]=4 1209 B16R2.26187 Nc1ccc(c(c1F)Sc2ncc[nH]2)F 62a_100025796157_100010070858 [0,1,0,0,0,0|3,0,0]=4 1210 B16R2.26187 Nc1ccc(c(c1N)Sc2ncc[nH]2)F 62a_100010128261_100025796157 [0,1,0,0,0,0|3,0,0]=4 1211 B16R2.26187 Nc1ccc(c(c1O)Sc2ncc[nH]2)F 62a_100010128263_100025796157 [0,1,0,0,0,0|3,0,0]=4 1212 B16R2.26187 Nc1ccc(c(c1O)Sc2ncc[nH]2)F 62a_100025796157_100010128263 [0,1,0,0,0,0|3,0,0]=4 1213 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Br)F 62a_100020765651_100025796157 [0,1,0,0,0,0|3,0,0]=4 1214 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Br)F 62a_100025796157_100020765651 [0,1,0,0,0,0|3,0,0]=4 1215 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_200010779962 [0,1,0,0,0,0|3,0,0]=4 1216 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Cl)Br 62a_200010779962_100025796157 [0,1,0,0,0,0|3,0,0]=4 1217 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Cl)Cl 62a_100025796157_200011093878 [0,1,0,0,0,0|3,0,0]=4 1218 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)Cl)Cl 62a_200011093878_100025796157 [0,1,0,0,0,0|3,0,0]=4 1219 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)F)Cl 62a_100010134325_100025796157 [0,1,0,0,0,0|3,0,0]=4 1220 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)F)Cl 62a_100025796157_100010134325 [0,1,0,0,0,0|3,0,0]=4 1221 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100010232473_100025796157 [0,1,0,0,0,0|3,0,0]=4 1222 B16R2.26187 Nc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100025796157_100010232473 [0,1,0,0,0,0|3,0,0]=4 1223 B16R2.26187 Oc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100010170822_100025796157 [0,1,0,0,0,0|3,0,0]=4 1224 B16R2.26187 Oc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100010170822 [0,1,0,0,0,0|3,0,0]=4 1225 B16R2.41276 CCc1cccc(c1Nc2ncns2)C 27a_100000210048_100000693119 [0,1,0,0,0,0|3,0,0]=4 1226 B16R2.41276 CCc1cccc(c1Nc2nncs2)C 27a_100000210048_100000739804 [0,1,0,0,0,0|3,0,0]=4 1227 B16R2.41276 CCc1cccc(c1Sc2c[nH]cn2)C 62a_100000036235_100000756875 [0,1,0,0,0,0|3,0,0]=4 1228 B16R2.41276 CCc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100000036235 [0,1,0,0,0,0|3,0,0]=4 1229 B16R2.41276 CCc1cccc(c1Sc2cc[nH]n2)C 62a_100000036235_100000062575 [0,1,0,0,0,0|3,0,0]=4 1230 B16R2.41276 CCc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100000036235 [0,1,0,0,0,0|3,0,0]=4 1231 B16R2.41276 CCc1cccc(c1Sc2ccco2)C 62a_100000036235_100009814098 [0,1,0,0,0,0|3,0,0]=4 1232 B16R2.41276 CCc1cccc(c1Sc2ccco2)C 62a_100009814098_100000036235 [0,1,0,0,0,0|3,0,0]=4 1233 B16R2.41276 CCc1cccc(c1Sc2cccs2)C 62a_100000036235_100011215356 [0,1,0,0,0,0|3,0,0]=4 1234 B16R2.41276 CCc1cccc(c1Sc2cccs2)C 62a_100011215356_100000036235 [0,1,0,0,0,0|3,0,0]=4 1235 B16R2.41276 CCc1cccc(c1Sc2ccon2)C 62a_100000036235_100009818083 [0,1,0,0,0,0|3,0,0]=4 1236 B16R2.41276 CCc1cccc(c1Sc2ccon2)C 62a_100009818083_100000036235 [0,1,0,0,0,0|3,0,0]=4 1237 B16R2.41276 CCc1cccc(c1Sc2ccsn2)C 62a_100000036235_100009818082 [0,1,0,0,0,0|3,0,0]=4 1238 B16R2.41276 CCc1cccc(c1Sc2ccsn2)C 62a_100009818082_100000036235 [0,1,0,0,0,0|3,0,0]=4 1239 B16R2.41276 CCc1cccc(c1Sc2cscn2)C 62a_100000036235_100000751502 [0,1,0,0,0,0|3,0,0]=4 1240 B16R2.41276 CCc1cccc(c1Sc2cscn2)C 62a_100000751502_100000036235 [0,1,0,0,0,0|3,0,0]=4 1241 B16R2.41276 CCc1cccc(c1Sc2nc[nH]n2)C 62a_100000036235_100000761765 [0,1,0,0,0,0|2,0,1]=4 1242 B16R2.41276 CCc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100000036235 [0,1,0,0,0,0|2,0,1]=4 1243 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100000036235_100025796157 [0,1,0,0,0,0|1,0,0]=2 1244 B16R2.41276 CCc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100000036235 [0,1,0,0,0,0|1,0,0]=2 1245 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100000036235_100011787736 [0,1,0,0,0,0|2,0,0]=3 1246 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100011787736_100000036235 [0,1,0,0,0,0|2,0,0]=3 1247 B16R2.41276 CCc1cccc(c1Sc2nccs2)C 62a_100000036235_100000211983 [0,1,0,0,0,0|2,0,0]=3 1248 B16R2.41276 CCc1cccc(c1Sc2nccs2)C 62a_100000211983_100000036235 [0,1,0,0,0,0|2,0,0]=3 1249 B16R2.41276 CCc1cccc(c1Sc2ncns2)C 62a_100000036235_100000693119 [0,1,0,0,0,0|3,0,0]=4 1250 B16R2.41276 CCc1cccc(c1Sc2ncns2)C 62a_100000693119_100000036235 [0,1,0,0,0,0|3,0,0]=4 1251 B16R2.41276 CCc1cccc(c1Sc2nncs2)C 62a_100000036235_100000739804 [0,1,0,0,0,0|3,0,0]=4 1252 B16R2.41276 CCc1cccc(c1Sc2nncs2)C 62a_100000739804_100000036235 [0,1,0,0,0,0|3,0,0]=4 1253 B16R2.41276 COc1cccc(c1Nc2ncns2)C 27a_100000758225_100000693119 [0,1,0,0,0,0|3,0,0]=4 1254 B16R2.41276 COc1cccc(c1Nc2nncs2)C 27a_100000758225_100000739804 [0,1,0,0,0,0|3,0,0]=4 1255 B16R2.41276 COc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100010191535 [0,1,0,0,0,0|3,0,0]=4 1256 B16R2.41276 COc1cccc(c1Sc2c[nH]cn2)C 62a_100010191535_100000756875 [0,1,0,0,0,0|3,0,0]=4 1257 B16R2.41276 COc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100010191535 [0,1,0,0,0,0|3,0,0]=4 1258 B16R2.41276 COc1cccc(c1Sc2cc[nH]n2)C 62a_100010191535_100000062575 [0,1,0,0,0,0|3,0,0]=4 1259 B16R2.41276 COc1cccc(c1Sc2ccco2)C 62a_100009814098_100010191535 [0,1,0,0,0,0|3,0,0]=4 1260 B16R2.41276 COc1cccc(c1Sc2ccco2)C 62a_100010191535_100009814098 [0,1,0,0,0,0|3,0,0]=4 1261 B16R2.41276 COc1cccc(c1Sc2cccs2)C 62a_100010191535_100011215356 [0,1,0,0,0,0|3,0,0]=4 1262 B16R2.41276 COc1cccc(c1Sc2cccs2)C 62a_100011215356_100010191535 [0,1,0,0,0,0|3,0,0]=4 1263 B16R2.41276 COc1cccc(c1Sc2ccon2)C 62a_100009818083_100010191535 [0,1,0,0,0,0|3,0,0]=4 1264 B16R2.41276 COc1cccc(c1Sc2ccon2)C 62a_100010191535_100009818083 [0,1,0,0,0,0|3,0,0]=4 1265 B16R2.41276 COc1cccc(c1Sc2ccsn2)C 62a_100009818082_100010191535 [0,1,0,0,0,0|3,0,0]=4 1266 B16R2.41276 COc1cccc(c1Sc2ccsn2)C 62a_100010191535_100009818082 [0,1,0,0,0,0|3,0,0]=4 1267 B16R2.41276 COc1cccc(c1Sc2cscn2)C 62a_100000751502_100010191535 [0,1,0,0,0,0|3,0,0]=4 1268 B16R2.41276 COc1cccc(c1Sc2cscn2)C 62a_100010191535_100000751502 [0,1,0,0,0,0|3,0,0]=4 1269 B16R2.41276 COc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100010191535 [0,1,0,0,0,0|2,0,1]=4 1270 B16R2.41276 COc1cccc(c1Sc2nc[nH]n2)C 62a_100010191535_100000761765 [0,1,0,0,0,0|2,0,1]=4 1271 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)Br 62a_100010131421_100025796157 [0,1,0,0,0,0|2,0,0]=3 1272 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010131421 [0,1,0,0,0,0|2,0,0]=3 1273 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100010191535_100025796157 [0,1,0,0,0,0|1,0,0]=2 1274 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100010191535 [0,1,0,0,0,0|1,0,0]=2 1275 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)F 62a_100000703912_100025796157 [0,1,0,0,0,0|2,0,0]=3 1276 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100000703912 [0,1,0,0,0,0|2,0,0]=3 1277 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)N 62a_100000703447_100025796157 [0,1,0,0,0,0|2,0,0]=3 1278 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100000703447 [0,1,0,0,0,0|2,0,0]=3 1279 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100010202623 [0,1,0,0,0,0|2,0,0]=3 1280 B16R2.41276 COc1cccc(c1Sc2ncco2)Br 62a_100010131421_100011787736 [0,1,0,0,0,0|3,0,0]=4 1281 B16R2.41276 COc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010131421 [0,1,0,0,0,0|3,0,0]=4 1282 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100010191535_100011787736 [0,1,0,0,0,0|2,0,0]=3 1283 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100011787736_100010191535 [0,1,0,0,0,0|2,0,0]=3 1284 B16R2.41276 COc1cccc(c1Sc2ncco2)F 62a_100000703912_100011787736 [0,1,0,0,0,0|3,0,0]=4 1285 B16R2.41276 COc1cccc(c1Sc2ncco2)F 62a_100011787736_100000703912 [0,1,0,0,0,0|3,0,0]=4 1286 B16R2.41276 COc1cccc(c1Sc2ncco2)N 62a_100000703447_100011787736 [0,1,0,0,0,0|3,0,0]=4 1287 B16R2.41276 COc1cccc(c1Sc2ncco2)N 62a_100011787736_100000703447 [0,1,0,0,0,0|3,0,0]=4 1288 B16R2.41276 COc1cccc(c1Sc2ncco2)O 62a_100011787736_100010202623 [0,1,0,0,0,0|3,0,0]=4 1289 B16R2.41276 COc1cccc(c1Sc2nccs2)Br 62a_100000211983_100010131421 [0,1,0,0,0,0|3,0,0]=4 1290 B16R2.41276 COc1cccc(c1Sc2nccs2)Br 62a_100010131421_100000211983 [0,1,0,0,0,0|3,0,0]=4 1291 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100000211983_100010191535 [0,1,0,0,0,0|2,0,0]=3 1292 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100010191535_100000211983 [0,1,0,0,0,0|2,0,0]=3 1293 B16R2.41276 COc1cccc(c1Sc2nccs2)F 62a_100000211983_100000703912 [0,1,0,0,0,0|3,0,0]=4 1294 B16R2.41276 COc1cccc(c1Sc2nccs2)F 62a_100000703912_100000211983 [0,1,0,0,0,0|3,0,0]=4 1295 B16R2.41276 COc1cccc(c1Sc2nccs2)N 62a_100000211983_100000703447 [0,1,0,0,0,0|3,0,0]=4 1296 B16R2.41276 COc1cccc(c1Sc2nccs2)N 62a_100000703447_100000211983 [0,1,0,0,0,0|3,0,0]=4 1297 B16R2.41276 COc1cccc(c1Sc2nccs2)O 62a_100000211983_100010202623 [0,1,0,0,0,0|3,0,0]=4 1298 B16R2.41276 COc1cccc(c1Sc2ncns2)C 62a_100000693119_100010191535 [0,1,0,0,0,0|3,0,0]=4 1299 B16R2.41276 COc1cccc(c1Sc2ncns2)C 62a_100010191535_100000693119 [0,1,0,0,0,0|3,0,0]=4 1300 B16R2.41276 COc1cccc(c1Sc2nncs2)C 62a_100000739804_100010191535 [0,1,0,0,0,0|3,0,0]=4 1301 B16R2.41276 COc1cccc(c1Sc2nncs2)C 62a_100010191535_100000739804 [0,1,0,0,0,0|3,0,0]=4 1302 B16R2.41276 COc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100010154655_100025796157 [0,1,0,0,0,0|3,0,0]=4 1303 B16R2.41276 COc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100010154655 [0,1,0,0,0,0|3,0,0]=4 1304 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)C 62a_100012353928_100025796157 [0,1,0,0,0,0|2,0,0]=3 1305 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)C 62a_100025796157_100012353928 [0,1,0,0,0,0|2,0,0]=3 1306 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)N 62a_100010243811_100025796157 [0,1,0,0,0,0|3,0,0]=4 1307 B16R2.41276 COc1nccc(c1Sc2ncc[nH]2)N 62a_100025796157_100010243811 [0,1,0,0,0,0|3,0,0]=4 1308 B16R2.41276 COc1nccc(c1Sc2ncco2)C 62a_100011787736_100012353928 [0,1,0,0,0,0|3,0,0]=4 1309 B16R2.41276 COc1nccc(c1Sc2ncco2)C 62a_100012353928_100011787736 [0,1,0,0,0,0|3,0,0]=4 1310 B16R2.41276 COc1nccc(c1Sc2nccs2)C 62a_100000211983_100012353928 [0,1,0,0,0,0|3,0,0]=4 1311 B16R2.41276 COc1nccc(c1Sc2nccs2)C 62a_100012353928_100000211983 [0,1,0,0,0,0|3,0,0]=4 1312 B16R2.41276 COc1ncnc(c1Sc2ncc[nH]2)C 62a_100010110394_100025796157 [0,1,0,0,0,0|3,0,0]=4 1313 B16R2.41276 COc1ncnc(c1Sc2ncc[nH]2)C 62a_100025796157_100010110394 [0,1,0,0,0,0|3,0,0]=4 1314 B16R2.41276 Cc1cccc(c1Nc2ncns2)CO 27a_100011215590_100000693119 [0,1,0,0,0,0|3,0,0]=4 1315 B16R2.41276 Cc1cccc(c1Nc2nncs2)CO 27a_100011215590_100000739804 [0,1,0,0,0,0|3,0,0]=4 1316 B16R2.41276 Cc1cccc(c1Sc2c[nH]cn2)CO 62a_100000756875_100011659289 [0,1,0,0,0,0|3,0,0]=4 1317 B16R2.41276 Cc1cccc(c1Sc2c[nH]cn2)CO 62a_100011659289_100000756875 [0,1,0,0,0,0|3,0,0]=4 1318 B16R2.41276 Cc1cccc(c1Sc2cc[nH]n2)CO 62a_100000062575_100011659289 [0,1,0,0,0,0|3,0,0]=4 1319 B16R2.41276 Cc1cccc(c1Sc2cc[nH]n2)CO 62a_100011659289_100000062575 [0,1,0,0,0,0|3,0,0]=4 1320 B16R2.41276 Cc1cccc(c1Sc2ccco2)CO 62a_100009814098_100011659289 [0,1,0,0,0,0|3,0,0]=4 1321 B16R2.41276 Cc1cccc(c1Sc2ccco2)CO 62a_100011659289_100009814098 [0,1,0,0,0,0|3,0,0]=4 1322 B16R2.41276 Cc1cccc(c1Sc2cccs2)CO 62a_100011215356_100011659289 [0,1,0,0,0,0|3,0,0]=4 1323 B16R2.41276 Cc1cccc(c1Sc2cccs2)CO 62a_100011659289_100011215356 [0,1,0,0,0,0|3,0,0]=4 1324 B16R2.41276 Cc1cccc(c1Sc2ccon2)CO 62a_100009818083_100011659289 [0,1,0,0,0,0|3,0,0]=4 1325 B16R2.41276 Cc1cccc(c1Sc2ccon2)CO 62a_100011659289_100009818083 [0,1,0,0,0,0|3,0,0]=4 1326 B16R2.41276 Cc1cccc(c1Sc2ccsn2)CO 62a_100009818082_100011659289 [0,1,0,0,0,0|3,0,0]=4 1327 B16R2.41276 Cc1cccc(c1Sc2ccsn2)CO 62a_100011659289_100009818082 [0,1,0,0,0,0|3,0,0]=4 1328 B16R2.41276 Cc1cccc(c1Sc2cscn2)CO 62a_100000751502_100011659289 [0,1,0,0,0,0|3,0,0]=4 1329 B16R2.41276 Cc1cccc(c1Sc2cscn2)CO 62a_100011659289_100000751502 [0,1,0,0,0,0|3,0,0]=4 1330 B16R2.41276 Cc1cccc(c1Sc2nc[nH]n2)CO 62a_100000761765_100011659289 [0,1,0,0,0,0|2,0,1]=4 1331 B16R2.41276 Cc1cccc(c1Sc2nc[nH]n2)CO 62a_100011659289_100000761765 [0,1,0,0,0,0|2,0,1]=4 1332 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C#N 62a_100025796157_100011934862 [0,1,0,0,0,0|1,0,1]=3 1333 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C=O 62a_100012186367_100025796157 [0,1,0,0,0,0|1,0,1]=3 1334 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)C=O 62a_100025796157_100012186367 [0,1,0,0,0,0|1,0,1]=3 1335 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100011659289_100025796157 [0,1,0,0,0,0|1,0,0]=2 1336 B16R2.41276 Cc1cccc(c1Sc2ncc[nH]2)CO 62a_100025796157_100011659289 [0,1,0,0,0,0|1,0,0]=2 1337 B16R2.41276 Cc1cccc(c1Sc2ncco2)C#N 62a_100011787736_100011934862 [0,1,0,0,0,0|2,0,1]=4 1338 B16R2.41276 Cc1cccc(c1Sc2ncco2)C=O 62a_100011787736_100012186367 [0,1,0,0,0,0|2,0,1]=4 1339 B16R2.41276 Cc1cccc(c1Sc2ncco2)C=O 62a_100012186367_100011787736 [0,1,0,0,0,0|2,0,1]=4 1340 B16R2.41276 Cc1cccc(c1Sc2ncco2)CO 62a_100011659289_100011787736 [0,1,0,0,0,0|2,0,0]=3 1341 B16R2.41276 Cc1cccc(c1Sc2ncco2)CO 62a_100011787736_100011659289 [0,1,0,0,0,0|2,0,0]=3 1342 B16R2.41276 Cc1cccc(c1Sc2nccs2)C#N 62a_100000211983_100011934862 [0,1,0,0,0,0|2,0,1]=4 1343 B16R2.41276 Cc1cccc(c1Sc2nccs2)C=O 62a_100000211983_100012186367 [0,1,0,0,0,0|2,0,1]=4 1344 B16R2.41276 Cc1cccc(c1Sc2nccs2)C=O 62a_100012186367_100000211983 [0,1,0,0,0,0|2,0,1]=4 1345 B16R2.41276 Cc1cccc(c1Sc2nccs2)CO 62a_100000211983_100011659289 [0,1,0,0,0,0|2,0,0]=3 1346 B16R2.41276 Cc1cccc(c1Sc2nccs2)CO 62a_100011659289_100000211983 [0,1,0,0,0,0|2,0,0]=3 1347 B16R2.41276 Cc1cccc(c1Sc2ncns2)CO 62a_100000693119_100011659289 [0,1,0,0,0,0|3,0,0]=4 1348 B16R2.41276 Cc1cccc(c1Sc2ncns2)CO 62a_100011659289_100000693119 [0,1,0,0,0,0|3,0,0]=4 1349 B16R2.41276 Cc1cccc(c1Sc2nncs2)CO 62a_100000739804_100011659289 [0,1,0,0,0,0|3,0,0]=4 1350 B16R2.41276 Cc1cccc(c1Sc2nncs2)CO 62a_100011659289_100000739804 [0,1,0,0,0,0|3,0,0]=4 1351 B16R2.41276 Cc1ccnc(c1Sc2ncc[nH]2)C#N 62a_100025796157_100009878727 [0,1,0,0,0,0|2,0,1]=4 1352 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100000703783_100025796157 [0,1,0,0,0,0|2,0,1]=4 1353 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100000703783 [0,1,0,0,0,0|2,0,1]=4 1354 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100010134094 [0,1,0,0,0,0|2,0,1]=4 1355 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100011219237 [0,1,0,0,0,0|2,0,1]=4 1356 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)N 62a_100025796157_100009877206 [0,1,0,0,0,0|2,0,1]=4 1357 B16R2.41276 N#Cc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100009818990 [0,1,0,0,0,0|2,0,1]=4 1358 B16R2.41276 NCc1cccc(c1Sc2ncc[nH]2)F 62a_100020638964_100025796157 [0,1,0,0,0,0|2,0,0]=3 1359 B16R2.41276 NCc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100020638964 [0,1,0,0,0,0|2,0,0]=3 1360 B16R2.41276 NCc1cccc(c1Sc2ncco2)F 62a_100011787736_100020638964 [0,1,0,0,0,0|3,0,0]=4 1361 B16R2.41276 NCc1cccc(c1Sc2ncco2)F 62a_100020638964_100011787736 [0,1,0,0,0,0|3,0,0]=4 1362 B16R2.41276 NCc1cccc(c1Sc2nccs2)F 62a_100000211983_100020638964 [0,1,0,0,0,0|3,0,0]=4 1363 B16R2.41276 NCc1cccc(c1Sc2nccs2)F 62a_100020638964_100000211983 [0,1,0,0,0,0|3,0,0]=4 1364 B16R2.41276 O=Cc1cccc(c1Sc2ncc[nH]2)F 62a_100011934749_100025796157 [0,1,0,0,0,0|2,0,1]=4 1365 B16R2.41276 O=Cc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100011934749 [0,1,0,0,0,0|2,0,1]=4 1366 B16R2.41276 O=Cc1cccc(c1Sc2ncc[nH]2)O 62a_100009816417_100025796157 [0,1,0,0,0,0|2,0,1]=4 1367 B16R2.41276 O=Cc1cccc(c1Sc2ncc[nH]2)O 62a_100025796157_100009816417 [0,1,0,0,0,0|2,0,1]=4 1368 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)Br 62a_100010146604_100025796157 [0,1,0,0,0,0|2,0,0]=3 1369 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010146604 [0,1,0,0,0,0|2,0,0]=3 1370 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)F 62a_100012351117_100025796157 [0,1,0,0,0,0|2,0,0]=3 1371 B16R2.41276 OCc1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100012351117 [0,1,0,0,0,0|2,0,0]=3 1372 B16R2.41276 OCc1cccc(c1Sc2ncco2)Br 62a_100010146604_100011787736 [0,1,0,0,0,0|3,0,0]=4 1373 B16R2.41276 OCc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010146604 [0,1,0,0,0,0|3,0,0]=4 1374 B16R2.41276 OCc1cccc(c1Sc2ncco2)F 62a_100011787736_100012351117 [0,1,0,0,0,0|3,0,0]=4 1375 B16R2.41276 OCc1cccc(c1Sc2ncco2)F 62a_100012351117_100011787736 [0,1,0,0,0,0|3,0,0]=4 1376 B16R2.41276 OCc1cccc(c1Sc2nccs2)Br 62a_100000211983_100010146604 [0,1,0,0,0,0|3,0,0]=4 1377 B16R2.41276 OCc1cccc(c1Sc2nccs2)Br 62a_100010146604_100000211983 [0,1,0,0,0,0|3,0,0]=4 1378 B16R2.41276 OCc1cccc(c1Sc2nccs2)F 62a_100000211983_100012351117 [0,1,0,0,0,0|3,0,0]=4 1379 B16R2.41276 OCc1cccc(c1Sc2nccs2)F 62a_100012351117_100000211983 [0,1,0,0,0,0|3,0,0]=4 1380 B14R1.86 C/C=C/C=CC(=NNc1nccs1)C 4a_100011198208_100016268696 [0,0,1,0,0,0|3,0,0]=4 1381 B14R1.86 C/C=C/C=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000185730 [0,0,1,0,0,0|3,0,0]=4 1382 B14R1.86 C/C=C/C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000185730 [0,0,1,0,0,0|3,0,0]=4 1383 B14R1.86 C/C=C/C=CC(=O)NCc1ncc[nH]1 11a_100000754540_100000185730 [0,0,1,0,0,0|2,0,0]=3 1384 B14R1.86 C/C=C/C=CC(=O)NCc1ncc[nH]1 240690a_100000754540_100000185730 [0,0,1,0,0,0|2,0,0]=3 1385 B14R1.86 C/C=C/C=CC(=O)NCc1ncco1 11a_100016994969_100000185730 [0,0,1,0,0,0|3,0,0]=4 1386 B14R1.86 C/C=C/C=CC(=O)NCc1ncco1 1626a_100016994969_100000185730 [0,0,1,0,0,0|3,0,0]=4 1387 B14R1.86 C/C=C/C=CC(=O)NCc1ncco1 240690a_100016994969_100000185730 [0,0,1,0,0,0|3,0,0]=4 1388 B14R1.86 C/C=C/C=CC(=O)NCc1nccs1 11a_100000740555_100000185730 [0,0,1,0,0,0|3,0,0]=4 1389 B14R1.86 C/C=C/C=CC(=O)NCc1nccs1 1626a_100000740555_100000185730 [0,0,1,0,0,0|3,0,0]=4 1390 B14R1.86 C/C=C/C=CC(=O)NCc1nccs1 240690a_100000740555_100000185730 [0,0,1,0,0,0|3,0,0]=4 1391 B14R1.86 C/C=C/C=CC(=O)NCc1nnc[nH]1 11a_200015183720_100000185730 [0,0,1,0,0,0|3,0,0]=4 1392 B14R1.86 C/C=C/C=CC(=O)NCc1nnc[nH]1 240690a_200015183720_100000185730 [0,0,1,0,0,0|3,0,0]=4 1393 B14R1.19171 C=CCC(=O)Cc1c(cccc1Br)C 1458a_100000210193_100010146847 [0,0,1,0,0,0|3,0,0]=4 1394 B14R1.19171 C=CCC(=O)Cc1c(cccc1Br)C 1458a_100010147022_100000210623 [0,0,1,0,0,0|3,0,0]=4 1395 B14R1.19171 C=CCC(=O)Cc1c(cccc1C)C 1458a_100000210193_100000758300 [0,0,1,0,0,0|2,0,0]=3 1396 B14R1.19171 C=CCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000210623 [0,0,1,0,0,0|2,0,0]=3 1397 B14R1.19171 C=CCC(=O)Cc1c(cccc1F)C 1458a_100000210193_100009814554 [0,0,1,0,0,0|3,0,0]=4 1398 B14R1.19171 C=CCC(=O)Cc1c(cccc1I)C 1458a_100000210193_100010150146 [0,0,1,0,0,0|3,0,0]=4 1399 B14R1.19171 C=CCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000210193 [0,0,1,0,0,0|3,0,0]=4 1400 B14R1.19171 C=CCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000210193 [0,0,1,0,0,0|3,0,0]=4 1401 B14R1.19171 C=CCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000210193 [0,0,1,0,0,0|3,0,0]=4 1402 B14R1.19171 C=CCN(C)Cc1c(cccc1C)C 2230a_100000225617_100000758300 [0,0,1,0,0,0|3,0,0]=4 1403 B14R1.19171 C=CCN(C)Cc1c(cccc1C)C 269982a_100000225617_100000758300 [0,0,1,0,0,0|3,0,0]=4 1404 B14R1.19171 C=CCN(C)Cc1c(cccc1C)C 270004a_100000225617_100000758299 [0,0,1,0,0,0|3,0,0]=4 1405 B14R1.19171 CC=CC(=O)Cc1c(cccc1C)C 1458a_100000210699_100000758300 [0,0,1,0,0,0|2,0,1]=4 1406 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 11a_100015525214_100000689862 [0,0,1,0,0,0|1,0,2]=4 1407 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 240690a_100015525214_100000689862 [0,0,1,0,0,0|1,0,2]=4 1408 B14R1.19171 CCNC(=O)Cc1c(cccc1C)C 527a_100015525214_100000689862 [0,0,1,0,0,0|1,0,2]=4 1409 B14R1.19171 CNNC(=O)Cc1c(cccc1C)C 22a_100016993582_100000689862 [0,0,1,0,0,0|2,0,1]=4 1410 B14R1.19171 Cc1cccc(c1CC(=O)C=CBr)C 1458a_100016273825_100000758300 [0,0,1,0,0,0|3,0,0]=4 1411 B14R1.19171 Cc1cccc(c1CC(=O)C=CCl)C 1458a_200016279998_100000758300 [0,0,1,0,0,0|3,0,0]=4 1412 B14R1.19171 Cc1cccc(c1CC(=O)C=CI)C 1458a_100016256311_100000758300 [0,0,1,0,0,0|3,0,0]=4 1413 B14R1.20339 C/C=C/CNCc1c(cccc1C)C 34a_100000689800_100102629194 [0,0,1,0,0,0|3,0,0]=4 1414 B14R1.20339 C/C=C/COCc1c(cccc1C)C 34a_100011933981_100102629194 [0,0,1,0,0,0|3,0,0]=4 1415 B14R1.20339 C/C=C/COCc1c(cccc1C)C 34a_100016270725_100000758300 [0,0,1,0,0,0|3,0,0]=4 1416 B14R1.20339 C/C=C/COCc1c(cccc1C)C 7a_100011933981_100102629194 [0,0,1,0,0,0|3,0,0]=4 1417 B14R1.20339 C/C=C/CSCc1c(cccc1C)C 62a_100000758300_100102629194 [0,0,1,0,0,0|3,0,0]=4 1418 B14R1.20339 C/C=C/CSCc1c(cccc1C)C 62a_100102629194_100000758300 [0,0,1,0,0,0|3,0,0]=4 1419 B14R1.20339 CC=CCNCc1c(cccc1C)C 34a_100000689800_100000070051 [0,0,1,0,0,0|3,0,0]=4 1420 B14R1.20339 CC=CCOCc1c(cccc1C)C 34a_100011933981_100000070051 [0,0,1,0,0,0|3,0,0]=4 1421 B14R1.20339 CC=CCOCc1c(cccc1C)C 7a_100011933981_100000070051 [0,0,1,0,0,0|3,0,0]=4 1422 B14R1.20339 CC=CCSCc1c(cccc1C)C 62a_100000070051_100000758300 [0,0,1,0,0,0|3,0,0]=4 1423 B14R1.20339 CC=CCSCc1c(cccc1C)C 62a_100000758300_100000070051 [0,0,1,0,0,0|3,0,0]=4 1424 B14R2.4572 Cc1n[nH]c(c1Sc2ncc[nH]2)C 62a_100000238710_100025796157 [0,0,0,0,1,0|3,0,0]=4 1425 B14R2.4572 Cc1n[nH]c(c1Sc2ncc[nH]2)C 62a_100025796157_100000238710 [0,0,0,0,1,0|3,0,0]=4 1426 B14R2.4572 Cc1noc(c1Sc2ncc[nH]2)C 62a_100000694658_100025796157 [0,0,0,0,1,0|3,0,0]=4 1427 B14R2.4572 Cc1noc(c1Sc2ncc[nH]2)C 62a_100025796157_100000694658 [0,0,0,0,1,0|3,0,0]=4 1428 B14R2.9066 Brc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100009994525 [0,0,0,0,1,0|2,0,0]=3 1429 B14R2.9066 Brc1cncc(c1c2ncc[nH]2)Br 271570a_100016988920_100010172828 [0,0,0,0,1,0|3,0,0]=4 1430 B14R2.9066 Cc1ccc[n+](c1c2ncc[nH]2)[O-] 271570a_100016988920_100116209805 [0,0,0,0,1,0|2,0,0]=3 1431 B14R2.9066 Cc1cccc(c1c2c[nH]cn2)F 271570a_100010391573_100000756875 [0,0,0,0,1,0|3,0,0]=4 1432 B14R2.9066 Cc1cccc(c1c2cc[nH]c2)C 271570a_100000102155_100000033847 [0,0,0,0,1,0|3,0,0]=4 1433 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)C 271570a_100000062414_100000033847 [0,0,0,0,1,0|2,0,0]=3 1434 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)Cl 271570a_100000062414_100000043165 [0,0,0,0,1,0|3,0,0]=4 1435 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)F 271570a_100000062414_100012349962 [0,0,0,0,1,0|3,0,0]=4 1436 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)F 271570a_100010391573_100000062575 [0,0,0,0,1,0|3,0,0]=4 1437 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)N 271570a_100000062414_100000684715 [0,0,0,0,1,0|3,0,0]=4 1438 B14R2.9066 Cc1cccc(c1c2cc[nH]n2)O 271570a_100000062414_100000686692 [0,0,0,0,1,0|3,0,0]=4 1439 B14R2.9066 Cc1cccc(c1c2ccco2)C 271570a_100000750936_100000033847 [0,0,0,0,1,0|2,0,0]=3 1440 B14R2.9066 Cc1cccc(c1c2ccco2)Cl 271570a_100000750936_100000043165 [0,0,0,0,1,0|3,0,0]=4 1441 B14R2.9066 Cc1cccc(c1c2ccco2)F 271570a_100000750936_100012349962 [0,0,0,0,1,0|3,0,0]=4 1442 B14R2.9066 Cc1cccc(c1c2ccco2)F 271570a_100010391573_100009814098 [0,0,0,0,1,0|3,0,0]=4 1443 B14R2.9066 Cc1cccc(c1c2ccco2)N 271570a_100000750936_100000684715 [0,0,0,0,1,0|3,0,0]=4 1444 B14R2.9066 Cc1cccc(c1c2ccco2)O 271570a_100000750936_100000686692 [0,0,0,0,1,0|3,0,0]=4 1445 B14R2.9066 Cc1cccc(c1c2cccs2)C 271570a_100000742291_100000033847 [0,0,0,0,1,0|2,0,0]=3 1446 B14R2.9066 Cc1cccc(c1c2cccs2)Cl 271570a_100000742291_100000043165 [0,0,0,0,1,0|3,0,0]=4 1447 B14R2.9066 Cc1cccc(c1c2cccs2)F 271570a_100000742291_100012349962 [0,0,0,0,1,0|3,0,0]=4 1448 B14R2.9066 Cc1cccc(c1c2cccs2)F 271570a_100010391573_100011215356 [0,0,0,0,1,0|3,0,0]=4 1449 B14R2.9066 Cc1cccc(c1c2cccs2)N 271570a_100000742291_100000684715 [0,0,0,0,1,0|3,0,0]=4 1450 B14R2.9066 Cc1cccc(c1c2cccs2)O 271570a_100000742291_100000686692 [0,0,0,0,1,0|3,0,0]=4 1451 B14R2.9066 Cc1cccc(c1c2ccoc2)C 271570a_100011218838_100000033847 [0,0,0,0,1,0|3,0,0]=4 1452 B14R2.9066 Cc1cccc(c1c2ccsc2)C 271570a_100011934443_100000033847 [0,0,0,0,1,0|3,0,0]=4 1453 B14R2.9066 Cc1cccc(c1c2ccsn2)F 271570a_100010391573_100009818082 [0,0,0,0,1,0|3,0,0]=4 1454 B14R2.9066 Cc1cccc(c1c2cncs2)C 271570a_100010231675_100000033847 [0,0,0,0,1,0|3,0,0]=4 1455 B14R2.9066 Cc1cccc(c1c2cscn2)F 271570a_100010391573_100000751502 [0,0,0,0,1,0|3,0,0]=4 1456 B14R2.9066 Cc1cccc(c1c2nc[nH]n2)F 271570a_100010391573_100000761765 [0,0,0,0,1,0|2,0,1]=4 1457 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000033847 [0,0,0,0,1,0|0,0,0]=1 1458 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000043165 [0,0,0,0,1,0|1,0,0]=2 1459 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)F 271570a_100010391573_100025796157 [0,0,0,0,1,0|1,0,0]=2 1460 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100012349962 [0,0,0,0,1,0|1,0,0]=2 1461 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)N 271570a_100016988920_100000684715 [0,0,0,0,1,0|1,0,0]=2 1462 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100000686692 [0,0,0,0,1,0|1,0,0]=2 1463 B14R2.9066 Cc1cccc(c1c2ncco2)F 271570a_100010391573_100011787736 [0,0,0,0,1,0|2,0,0]=3 1464 B14R2.9066 Cc1cccc(c1c2nccs2)F 271570a_100010391573_100000211983 [0,0,0,0,1,0|2,0,0]=3 1465 B14R2.9066 Cc1cccc(c1c2ncns2)F 271570a_100010391573_100000693119 [0,0,0,0,1,0|3,0,0]=4 1466 B14R2.9066 Cc1cccc(c1c2nncs2)F 271570a_100010391573_100000739804 [0,0,0,0,1,0|3,0,0]=4 1467 B14R2.9066 Cc1ccnc(c1c2cc[nH]n2)C 271570a_100000062414_100012000501 [0,0,0,0,1,0|3,0,0]=4 1468 B14R2.9066 Cc1ccnc(c1c2ccco2)C 271570a_100000750936_100012000501 [0,0,0,0,1,0|3,0,0]=4 1469 B14R2.9066 Cc1ccnc(c1c2cccs2)C 271570a_100000742291_100012000501 [0,0,0,0,1,0|3,0,0]=4 1470 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)C 271570a_100016988920_100012000501 [0,0,0,0,1,0|1,0,0]=2 1471 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)Cl 271570a_100010187686_100025796157 [0,0,0,0,1,0|2,0,0]=3 1472 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)F 271570a_100016988920_100009818256 [0,0,0,0,1,0|2,0,0]=3 1473 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)N 271570a_100016988920_100011998619 [0,0,0,0,1,0|2,0,0]=3 1474 B14R2.9066 Cc1ccnc(c1c2ncc[nH]2)O 271570a_100016988920_100012000493 [0,0,0,0,1,0|2,0,0]=3 1475 B14R2.9066 Cc1ccnc(c1c2ncco2)Cl 271570a_100010187686_100011787736 [0,0,0,0,1,0|3,0,0]=4 1476 B14R2.9066 Cc1ccnc(c1c2nccs2)Cl 271570a_100010187686_100000211983 [0,0,0,0,1,0|3,0,0]=4 1477 B14R2.9066 Cc1cncc(c1c2cc[nH]n2)C 271570a_100000062414_100009817138 [0,0,0,0,1,0|3,0,0]=4 1478 B14R2.9066 Cc1cncc(c1c2ccco2)C 271570a_100000750936_100009817138 [0,0,0,0,1,0|3,0,0]=4 1479 B14R2.9066 Cc1cncc(c1c2cccs2)C 271570a_100000742291_100009817138 [0,0,0,0,1,0|3,0,0]=4 1480 B14R2.9066 Cc1cncc(c1c2ncc[nH]2)C 271570a_100016988920_100009817138 [0,0,0,0,1,0|1,0,0]=2 1481 B14R2.9066 Cc1nc[nH]c(=O)c1c2ncc[nH]2 271570a_100016988920_100011356812 [0,0,0,0,1,0|3,0,0]=4 1482 B14R2.9066 Cc1nccc(c1c2ncc[nH]2)N 271570a_100016988920_100010243816 [0,0,0,0,1,0|2,0,0]=3 1483 B14R2.9066 Cc1ncnc(c1c2ncc[nH]2)C 271570a_100016988920_100009820708 [0,0,0,0,1,0|2,0,0]=3 1484 B14R2.9066 Cc1ncnc(c1c2ncc[nH]2)N 271570a_100016988920_100011996190 [0,0,0,0,1,0|3,0,0]=4 1485 B14R2.9066 Clc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010214488 [0,0,0,0,1,0|2,0,0]=3 1486 B14R2.9066 Clc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000034237 [0,0,0,0,1,0|2,0,0]=3 1487 B14R2.9066 Clc1cncc(c1c2ncc[nH]2)Cl 271570a_100010140905_100025796157 [0,0,0,0,1,0|3,0,0]=4 1488 B14R2.9066 Clc1cncc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000036193 [0,0,0,0,1,0|3,0,0]=4 1489 B14R2.9066 Fc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100011219512 [0,0,0,0,1,0|2,0,0]=3 1490 B14R2.9066 Fc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000050007 [0,0,0,0,1,0|2,0,0]=3 1491 B14R2.9066 Fc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100000693133 [0,0,0,0,1,0|2,0,0]=3 1492 B14R2.9066 Fc1ccnc(c1c2ncc[nH]2)F 271570a_100016988920_100009874084 [0,0,0,0,1,0|3,0,0]=4 1493 B14R2.9066 Fc1cncc(c1c2ncc[nH]2)F 271570a_100016988920_100000760538 [0,0,0,0,1,0|3,0,0]=4 1494 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100020590159 [0,0,0,0,1,0|2,0,0]=3 1495 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000049713 [0,0,0,0,1,0|2,0,0]=3 1496 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)F 271570a_100010769795_100025796157 [0,0,0,0,1,0|2,0,0]=3 1497 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100011934729 [0,0,0,0,1,0|2,0,0]=3 1498 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100012183704 [0,0,0,0,1,0|2,0,0]=3 1499 B14R2.9066 Nc1cccc(c1c2ncco2)F 271570a_100010769795_100011787736 [0,0,0,0,1,0|3,0,0]=4 1500 B14R2.9066 Nc1cccc(c1c2nccs2)F 271570a_100010769795_100000211983 [0,0,0,0,1,0|3,0,0]=4 1501 B14R2.9066 Nc1ccnc(c1c2ncc[nH]2)F 271570a_100016988920_100010381272 [0,0,0,0,1,0|3,0,0]=4 1502 B14R2.9066 Nc1nccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100010199028 [0,0,0,0,1,0|3,0,0]=4 1503 B14R2.9066 Oc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010187912 [0,0,0,0,1,0|2,0,0]=3 1504 B14R2.9066 Oc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000050174 [0,0,0,0,1,0|2,0,0]=3 1505 B14R2.9066 Oc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100009820682 [0,0,0,0,1,0|2,0,0]=3 1506 B14R2.9066 Oc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100010205330 [0,0,0,0,1,0|2,0,0]=3 1507 B14R2.9066 Oc1ccnc(c1c2ncc[nH]2)O 271570a_100016988920_200009817435 [0,0,0,0,1,0|3,0,0]=4 1508 B16R2.3259 Cc1cccc(c1CN2CC=CCC2)C 2230a_100000698166_100000758300 [0,0,0,0,0,1|3,0,0]=4 1509 B16R2.3259 Cc1cccc(c1CN2CC=CCC2)C 269982a_100000698166_100000758300 [0,0,0,0,0,1|3,0,0]=4 1510 B16R2.3259 Cc1cccc(c1CN2CC=CCC2)C 270004a_100000698166_100000758299 [0,0,0,0,0,1|3,0,0]=4 1511 B16R2.3259 Cc1cccc(c1CN2CC=CCC2)C 34a_100000698166_100000758300 [0,0,0,0,0,1|3,0,0]=4 1512 B16R2.3259 Cc1cccc(c1Nc2cccnn2)Br 27a_100011834072_100016991348 [0,0,0,0,0,1|3,0,0]=4 1513 B16R2.3259 Cc1cccc(c1Nc2cccnn2)C 27a_100000185769_100016991348 [0,0,0,0,0,1|2,0,0]=3 1514 B16R2.3259 Cc1cccc(c1Nc2cccnn2)Cl 27a_100000756524_100016991348 [0,0,0,0,0,1|3,0,0]=4 1515 B16R2.3259 Cc1cccc(c1Nc2cccnn2)F 27a_100000766463_100016991348 [0,0,0,0,0,1|3,0,0]=4 1516 B16R2.3259 Cc1cccc(c1Nc2cccnn2)O 27a_100000743429_100016991348 [0,0,0,0,0,1|3,0,0]=4 1517 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Br 27a_100011834072_100000703185 [0,0,0,0,0,1|3,0,0]=4 1518 B16R2.3259 Cc1cccc(c1Nc2ccncn2)C 27a_100000185769_100000703185 [0,0,0,0,0,1|2,0,0]=3 1519 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Cl 27a_100000756524_100000703185 [0,0,0,0,0,1|3,0,0]=4 1520 B16R2.3259 Cc1cccc(c1Nc2ccncn2)F 27a_100000766463_100000703185 [0,0,0,0,0,1|3,0,0]=4 1521 B16R2.3259 Cc1cccc(c1Nc2ccncn2)O 27a_100000743429_100000703185 [0,0,0,0,0,1|3,0,0]=4 1522 B16R2.3259 Cc1cccc(c1Nc2cnccn2)Br 27a_100011834072_100000211759 [0,0,0,0,0,1|2,0,1]=4 1523 B16R2.3259 Cc1cccc(c1Nc2cnccn2)C 27a_100000185769_100000211759 [0,0,0,0,0,1|1,0,1]=3 1524 B16R2.3259 Cc1cccc(c1Nc2cnccn2)Cl 27a_100000756524_100000211759 [0,0,0,0,0,1|2,0,1]=4 1525 B16R2.3259 Cc1cccc(c1Nc2cnccn2)F 27a_100000766463_100000211759 [0,0,0,0,0,1|2,0,1]=4 1526 B16R2.3259 Cc1cccc(c1Nc2cnccn2)O 27a_100000743429_100000211759 [0,0,0,0,0,1|2,0,1]=4 1527 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Br 27a_100011834072_100000211032 [0,0,0,0,0,1|2,0,1]=4 1528 B16R2.3259 Cc1cccc(c1Nc2ncccn2)C 27a_100000185769_100000211032 [0,0,0,0,0,1|1,0,1]=3 1529 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Cl 27a_100000756524_100000211032 [0,0,0,0,0,1|2,0,1]=4 1530 B16R2.3259 Cc1cccc(c1Nc2ncccn2)F 27a_100000766463_100000211032 [0,0,0,0,0,1|2,0,1]=4 1531 B16R2.3259 Cc1cccc(c1Nc2ncccn2)O 27a_100000743429_100000211032 [0,0,0,0,0,1|2,0,1]=4 1532 B16R2.3259 Cc1cccc(c1Sc2ccccc2)C 62a_100000033847_100000041952 [0,0,0,0,0,1|3,0,0]=4 1533 B16R2.3259 Cc1cccc(c1Sc2ccccc2)C 62a_100000719477_100000033847 [0,0,0,0,0,1|3,0,0]=4 1534 B16R2.3259 Cc1cccc(c1Sc2ccccn2)Br 62a_100010141302_100011216584 [0,0,0,0,0,1|3,0,0]=4 1535 B16R2.3259 Cc1cccc(c1Sc2ccccn2)Br 62a_100011216584_100010141302 [0,0,0,0,0,1|3,0,0]=4 1536 B16R2.3259 Cc1cccc(c1Sc2ccccn2)C 62a_100000033847_100011216584 [0,0,0,0,0,1|2,0,0]=3 1537 B16R2.3259 Cc1cccc(c1Sc2ccccn2)C 62a_100011216584_100000033847 [0,0,0,0,0,1|2,0,0]=3 1538 B16R2.3259 Cc1cccc(c1Sc2ccccn2)Cl 62a_100000043165_100011216584 [0,0,0,0,0,1|3,0,0]=4 1539 B16R2.3259 Cc1cccc(c1Sc2ccccn2)Cl 62a_100011216584_100000043165 [0,0,0,0,0,1|3,0,0]=4 1540 B16R2.3259 Cc1cccc(c1Sc2ccccn2)F 62a_100011216584_100011218421 [0,0,0,0,0,1|3,0,0]=4 1541 B16R2.3259 Cc1cccc(c1Sc2ccccn2)F 62a_100011218421_100011216584 [0,0,0,0,0,1|3,0,0]=4 1542 B16R2.3259 Cc1cccc(c1Sc2ccccn2)N 62a_100000684715_100011216584 [0,0,0,0,0,1|3,0,0]=4 1543 B16R2.3259 Cc1cccc(c1Sc2ccccn2)N 62a_100011216584_100000684715 [0,0,0,0,0,1|3,0,0]=4 1544 B16R2.3259 Cc1cccc(c1Sc2ccccn2)O 62a_100000686692_100011216584 [0,0,0,0,0,1|3,0,0]=4 1545 B16R2.3259 Cc1cccc(c1Sc2ccccn2)O 62a_100011216584_100000686692 [0,0,0,0,0,1|3,0,0]=4 1546 B16R2.3259 Cc1cccc(c1Sc2cccnc2)Br 62a_100000210063_100010141302 [0,0,0,0,0,1|3,0,0]=4 1547 B16R2.3259 Cc1cccc(c1Sc2cccnc2)Br 62a_100010141302_100000210063 [0,0,0,0,0,1|3,0,0]=4 1548 B16R2.3259 Cc1cccc(c1Sc2cccnc2)C 62a_100000033847_100000210063 [0,0,0,0,0,1|2,0,0]=3 1549 B16R2.3259 Cc1cccc(c1Sc2cccnc2)C 62a_100000210063_100000033847 [0,0,0,0,0,1|2,0,0]=3 1550 B16R2.3259 Cc1cccc(c1Sc2cccnc2)Cl 62a_100000043165_100000210063 [0,0,0,0,0,1|3,0,0]=4 1551 B16R2.3259 Cc1cccc(c1Sc2cccnc2)Cl 62a_100000210063_100000043165 [0,0,0,0,0,1|3,0,0]=4 1552 B16R2.3259 Cc1cccc(c1Sc2cccnc2)F 62a_100000210063_100011218421 [0,0,0,0,0,1|3,0,0]=4 1553 B16R2.3259 Cc1cccc(c1Sc2cccnc2)F 62a_100011218421_100000210063 [0,0,0,0,0,1|3,0,0]=4 1554 B16R2.3259 Cc1cccc(c1Sc2cccnc2)N 62a_100000210063_100000684715 [0,0,0,0,0,1|3,0,0]=4 1555 B16R2.3259 Cc1cccc(c1Sc2cccnc2)N 62a_100000684715_100000210063 [0,0,0,0,0,1|3,0,0]=4 1556 B16R2.3259 Cc1cccc(c1Sc2cccnc2)O 62a_100000210063_100000686692 [0,0,0,0,0,1|3,0,0]=4 1557 B16R2.3259 Cc1cccc(c1Sc2cccnc2)O 62a_100000686692_100000210063 [0,0,0,0,0,1|3,0,0]=4 1558 B16R2.3259 Cc1cccc(c1Sc2cccnn2)Br 62a_100010141302_100016991348 [0,0,0,0,0,1|3,0,0]=4 1559 B16R2.3259 Cc1cccc(c1Sc2cccnn2)Br 62a_100016991348_100010141302 [0,0,0,0,0,1|3,0,0]=4 1560 B16R2.3259 Cc1cccc(c1Sc2cccnn2)C 62a_100000033847_100016991348 [0,0,0,0,0,1|2,0,0]=3 1561 B16R2.3259 Cc1cccc(c1Sc2cccnn2)C 62a_100016991348_100000033847 [0,0,0,0,0,1|2,0,0]=3 1562 B16R2.3259 Cc1cccc(c1Sc2cccnn2)Cl 62a_100000043165_100016991348 [0,0,0,0,0,1|3,0,0]=4 1563 B16R2.3259 Cc1cccc(c1Sc2cccnn2)Cl 62a_100016991348_100000043165 [0,0,0,0,0,1|3,0,0]=4 1564 B16R2.3259 Cc1cccc(c1Sc2cccnn2)F 62a_100011218421_100016991348 [0,0,0,0,0,1|3,0,0]=4 1565 B16R2.3259 Cc1cccc(c1Sc2cccnn2)F 62a_100016991348_100011218421 [0,0,0,0,0,1|3,0,0]=4 1566 B16R2.3259 Cc1cccc(c1Sc2cccnn2)N 62a_100000684715_100016991348 [0,0,0,0,0,1|3,0,0]=4 1567 B16R2.3259 Cc1cccc(c1Sc2cccnn2)N 62a_100016991348_100000684715 [0,0,0,0,0,1|3,0,0]=4 1568 B16R2.3259 Cc1cccc(c1Sc2cccnn2)O 62a_100000686692_100016991348 [0,0,0,0,0,1|3,0,0]=4 1569 B16R2.3259 Cc1cccc(c1Sc2cccnn2)O 62a_100016991348_100000686692 [0,0,0,0,0,1|3,0,0]=4 1570 B16R2.3259 Cc1cccc(c1Sc2ccncc2)C 62a_100000033847_100000728582 [0,0,0,0,0,1|3,0,0]=4 1571 B16R2.3259 Cc1cccc(c1Sc2ccncc2)C 62a_100000728582_100000033847 [0,0,0,0,0,1|3,0,0]=4 1572 B16R2.3259 Cc1cccc(c1Sc2ccncn2)Br 62a_100000703185_100010141302 [0,0,0,0,0,1|3,0,0]=4 1573 B16R2.3259 Cc1cccc(c1Sc2ccncn2)Br 62a_100010141302_100000703185 [0,0,0,0,0,1|3,0,0]=4 1574 B16R2.3259 Cc1cccc(c1Sc2ccncn2)C 62a_100000033847_100000703185 [0,0,0,0,0,1|2,0,0]=3 1575 B16R2.3259 Cc1cccc(c1Sc2ccncn2)C 62a_100000703185_100000033847 [0,0,0,0,0,1|2,0,0]=3 1576 B16R2.3259 Cc1cccc(c1Sc2ccncn2)Cl 62a_100000043165_100000703185 [0,0,0,0,0,1|3,0,0]=4 1577 B16R2.3259 Cc1cccc(c1Sc2ccncn2)Cl 62a_100000703185_100000043165 [0,0,0,0,0,1|3,0,0]=4 1578 B16R2.3259 Cc1cccc(c1Sc2ccncn2)F 62a_100000703185_100011218421 [0,0,0,0,0,1|3,0,0]=4 1579 B16R2.3259 Cc1cccc(c1Sc2ccncn2)F 62a_100011218421_100000703185 [0,0,0,0,0,1|3,0,0]=4 1580 B16R2.3259 Cc1cccc(c1Sc2ccncn2)N 62a_100000684715_100000703185 [0,0,0,0,0,1|3,0,0]=4 1581 B16R2.3259 Cc1cccc(c1Sc2ccncn2)N 62a_100000703185_100000684715 [0,0,0,0,0,1|3,0,0]=4 1582 B16R2.3259 Cc1cccc(c1Sc2ccncn2)O 62a_100000686692_100000703185 [0,0,0,0,0,1|3,0,0]=4 1583 B16R2.3259 Cc1cccc(c1Sc2ccncn2)O 62a_100000703185_100000686692 [0,0,0,0,0,1|3,0,0]=4 1584 B16R2.3259 Cc1cccc(c1Sc2ccnnc2)C 62a_100000033847_100000732662 [0,0,0,0,0,1|3,0,0]=4 1585 B16R2.3259 Cc1cccc(c1Sc2ccnnc2)C 62a_100000732662_100000033847 [0,0,0,0,0,1|3,0,0]=4 1586 B16R2.3259 Cc1cccc(c1Sc2cnccn2)Br 62a_100000211759_100010141302 [0,0,0,0,0,1|2,0,1]=4 1587 B16R2.3259 Cc1cccc(c1Sc2cnccn2)Br 62a_100010141302_100000211759 [0,0,0,0,0,1|2,0,1]=4 1588 B16R2.3259 Cc1cccc(c1Sc2cnccn2)C 62a_100000033847_100000211759 [0,0,0,0,0,1|1,0,1]=3 1589 B16R2.3259 Cc1cccc(c1Sc2cnccn2)C 62a_100000211759_100000033847 [0,0,0,0,0,1|1,0,1]=3 1590 B16R2.3259 Cc1cccc(c1Sc2cnccn2)Cl 62a_100000043165_100000211759 [0,0,0,0,0,1|2,0,1]=4 1591 B16R2.3259 Cc1cccc(c1Sc2cnccn2)Cl 62a_100000211759_100000043165 [0,0,0,0,0,1|2,0,1]=4 1592 B16R2.3259 Cc1cccc(c1Sc2cnccn2)F 62a_100000211759_100011218421 [0,0,0,0,0,1|2,0,1]=4 1593 B16R2.3259 Cc1cccc(c1Sc2cnccn2)F 62a_100011218421_100000211759 [0,0,0,0,0,1|2,0,1]=4 1594 B16R2.3259 Cc1cccc(c1Sc2cnccn2)N 62a_100000211759_100000684715 [0,0,0,0,0,1|2,0,1]=4 1595 B16R2.3259 Cc1cccc(c1Sc2cnccn2)N 62a_100000684715_100000211759 [0,0,0,0,0,1|2,0,1]=4 1596 B16R2.3259 Cc1cccc(c1Sc2cnccn2)O 62a_100000211759_100000686692 [0,0,0,0,0,1|2,0,1]=4 1597 B16R2.3259 Cc1cccc(c1Sc2cnccn2)O 62a_100000686692_100000211759 [0,0,0,0,0,1|2,0,1]=4 1598 B16R2.3259 Cc1cccc(c1Sc2cncnc2)C 62a_100000033847_100011206942 [0,0,0,0,0,1|3,0,0]=4 1599 B16R2.3259 Cc1cccc(c1Sc2cncnc2)C 62a_100011206942_100000033847 [0,0,0,0,0,1|3,0,0]=4 1600 B16R2.3259 Cc1cccc(c1Sc2ncccn2)Br 62a_100000211032_100010141302 [0,0,0,0,0,1|2,0,1]=4 1601 B16R2.3259 Cc1cccc(c1Sc2ncccn2)Br 62a_100010141302_100000211032 [0,0,0,0,0,1|2,0,1]=4 1602 B16R2.3259 Cc1cccc(c1Sc2ncccn2)C 62a_100000033847_100000211032 [0,0,0,0,0,1|1,0,1]=3 1603 B16R2.3259 Cc1cccc(c1Sc2ncccn2)C 62a_100000211032_100000033847 [0,0,0,0,0,1|1,0,1]=3 1604 B16R2.3259 Cc1cccc(c1Sc2ncccn2)Cl 62a_100000043165_100000211032 [0,0,0,0,0,1|2,0,1]=4 1605 B16R2.3259 Cc1cccc(c1Sc2ncccn2)Cl 62a_100000211032_100000043165 [0,0,0,0,0,1|2,0,1]=4 1606 B16R2.3259 Cc1cccc(c1Sc2ncccn2)F 62a_100000211032_100011218421 [0,0,0,0,0,1|2,0,1]=4 1607 B16R2.3259 Cc1cccc(c1Sc2ncccn2)F 62a_100011218421_100000211032 [0,0,0,0,0,1|2,0,1]=4 1608 B16R2.3259 Cc1cccc(c1Sc2ncccn2)N 62a_100000211032_100000684715 [0,0,0,0,0,1|2,0,1]=4 1609 B16R2.3259 Cc1cccc(c1Sc2ncccn2)N 62a_100000684715_100000211032 [0,0,0,0,0,1|2,0,1]=4 1610 B16R2.3259 Cc1cccc(c1Sc2ncccn2)O 62a_100000211032_100000686692 [0,0,0,0,0,1|2,0,1]=4 1611 B16R2.3259 Cc1cccc(c1Sc2ncccn2)O 62a_100000686692_100000211032 [0,0,0,0,0,1|2,0,1]=4 1612 B16R2.3259 Cc1ccnc(c1Sc2ccccn2)C 62a_100011216584_100012000501 [0,0,0,0,0,1|3,0,0]=4 1613 B16R2.3259 Cc1ccnc(c1Sc2ccccn2)C 62a_100012000501_100011216584 [0,0,0,0,0,1|3,0,0]=4 1614 B16R2.3259 Cc1ccnc(c1Sc2cccnc2)C 62a_100000210063_100012000501 [0,0,0,0,0,1|3,0,0]=4 1615 B16R2.3259 Cc1ccnc(c1Sc2cccnc2)C 62a_100012000501_100000210063 [0,0,0,0,0,1|3,0,0]=4 1616 B16R2.3259 Cc1ccnc(c1Sc2cccnn2)C 62a_100012000501_100016991348 [0,0,0,0,0,1|3,0,0]=4 1617 B16R2.3259 Cc1ccnc(c1Sc2cccnn2)C 62a_100016991348_100012000501 [0,0,0,0,0,1|3,0,0]=4 1618 B16R2.3259 Cc1ccnc(c1Sc2ccncn2)C 62a_100000703185_100012000501 [0,0,0,0,0,1|3,0,0]=4 1619 B16R2.3259 Cc1ccnc(c1Sc2ccncn2)C 62a_100012000501_100000703185 [0,0,0,0,0,1|3,0,0]=4 1620 B16R2.3259 Cc1ccnc(c1Sc2cnccn2)C 62a_100000211759_100012000501 [0,0,0,0,0,1|2,0,1]=4 1621 B16R2.3259 Cc1ccnc(c1Sc2cnccn2)C 62a_100012000501_100000211759 [0,0,0,0,0,1|2,0,1]=4 1622 B16R2.3259 Cc1ccnc(c1Sc2ncccn2)C 62a_100000211032_100012000501 [0,0,0,0,0,1|2,0,1]=4 1623 B16R2.3259 Cc1ccnc(c1Sc2ncccn2)C 62a_100012000501_100000211032 [0,0,0,0,0,1|2,0,1]=4 1624 B16R2.3259 Cc1cncc(c1Sc2ccccn2)C 62a_100009817138_100011216584 [0,0,0,0,0,1|3,0,0]=4 1625 B16R2.3259 Cc1cncc(c1Sc2ccccn2)C 62a_100011216584_100009817138 [0,0,0,0,0,1|3,0,0]=4 1626 B16R2.3259 Cc1cncc(c1Sc2cccnc2)C 62a_100000210063_100009817138 [0,0,0,0,0,1|3,0,0]=4 1627 B16R2.3259 Cc1cncc(c1Sc2cccnc2)C 62a_100009817138_100000210063 [0,0,0,0,0,1|3,0,0]=4 1628 B16R2.3259 Cc1cncc(c1Sc2cccnn2)C 62a_100009817138_100016991348 [0,0,0,0,0,1|3,0,0]=4 1629 B16R2.3259 Cc1cncc(c1Sc2cccnn2)C 62a_100016991348_100009817138 [0,0,0,0,0,1|3,0,0]=4 1630 B16R2.3259 Cc1cncc(c1Sc2ccncn2)C 62a_100000703185_100009817138 [0,0,0,0,0,1|3,0,0]=4 1631 B16R2.3259 Cc1cncc(c1Sc2ccncn2)C 62a_100009817138_100000703185 [0,0,0,0,0,1|3,0,0]=4 1632 B16R2.3259 Cc1cncc(c1Sc2cnccn2)C 62a_100000211759_100009817138 [0,0,0,0,0,1|2,0,1]=4 1633 B16R2.3259 Cc1cncc(c1Sc2cnccn2)C 62a_100009817138_100000211759 [0,0,0,0,0,1|2,0,1]=4 1634 B16R2.3259 Cc1cncc(c1Sc2ncccn2)C 62a_100000211032_100009817138 [0,0,0,0,0,1|2,0,1]=4 1635 B16R2.3259 Cc1cncc(c1Sc2ncccn2)C 62a_100009817138_100000211032 [0,0,0,0,0,1|2,0,1]=4 1636 B16R2.25778 Brc1cccc(c1CSc2ncc[nH]2)I 62a_100010146611_100025796157 [0,0,0,0,0,1|2,0,0]=3 1637 B16R2.25778 Brc1cccc(c1CSc2ncc[nH]2)I 62a_100025796157_100010146611 [0,0,0,0,0,1|2,0,0]=3 1638 B16R2.25778 Brc1cccc(c1CSc2ncco2)I 62a_100010146611_100011787736 [0,0,0,0,0,1|3,0,0]=4 1639 B16R2.25778 Brc1cccc(c1CSc2ncco2)I 62a_100011787736_100010146611 [0,0,0,0,0,1|3,0,0]=4 1640 B16R2.25778 Brc1cccc(c1CSc2nccs2)I 62a_100000211983_100010146611 [0,0,0,0,0,1|3,0,0]=4 1641 B16R2.25778 Brc1cccc(c1CSc2nccs2)I 62a_100010146611_100000211983 [0,0,0,0,0,1|3,0,0]=4 1642 B16R2.25778 Brc1cccc(c1NCc2ncc[nH]2)Br 34a_100000690995_100016991755 [0,0,0,0,0,1|2,0,0]=3 1643 B16R2.25778 Brc1cccc(c1NCc2ncco2)Br 34a_100000690995_103436540062 [0,0,0,0,0,1|3,0,0]=4 1644 B16R2.25778 Brc1cccc(c1NCc2nccs2)Br 34a_100000690995_100015184050 [0,0,0,0,0,1|3,0,0]=4 1645 B16R2.25778 Brc1cccc(c1OCc2ncc[nH]2)Br 34a_100000736428_100016991755 [0,0,0,0,0,1|2,0,0]=3 1646 B16R2.25778 Brc1cccc(c1OCc2ncc[nH]2)Br 7a_100000736428_100000753453 [0,0,0,0,0,1|2,0,0]=3 1647 B16R2.25778 Brc1cccc(c1OCc2ncc[nH]2)I 34a_100010084509_100016991755 [0,0,0,0,0,1|2,0,0]=3 1648 B16R2.25778 Brc1cccc(c1OCc2ncc[nH]2)I 7a_100010084509_100000753453 [0,0,0,0,0,1|2,0,0]=3 1649 B16R2.25778 Brc1cccc(c1OCc2ncco2)Br 34a_100000736428_103436540062 [0,0,0,0,0,1|3,0,0]=4 1650 B16R2.25778 Brc1cccc(c1OCc2ncco2)Br 7a_100000736428_103436540062 [0,0,0,0,0,1|3,0,0]=4 1651 B16R2.25778 Brc1cccc(c1OCc2ncco2)I 34a_100010084509_103436540062 [0,0,0,0,0,1|3,0,0]=4 1652 B16R2.25778 Brc1cccc(c1OCc2ncco2)I 7a_100010084509_103436540062 [0,0,0,0,0,1|3,0,0]=4 1653 B16R2.25778 Brc1cccc(c1OCc2nccs2)Br 34a_100000736428_100015184050 [0,0,0,0,0,1|3,0,0]=4 1654 B16R2.25778 Brc1cccc(c1OCc2nccs2)Br 7a_100000736428_100015184050 [0,0,0,0,0,1|3,0,0]=4 1655 B16R2.25778 Brc1cccc(c1OCc2nccs2)I 34a_100010084509_100015184050 [0,0,0,0,0,1|3,0,0]=4 1656 B16R2.25778 Brc1cccc(c1OCc2nccs2)I 7a_100010084509_100015184050 [0,0,0,0,0,1|3,0,0]=4 1657 B16R2.25778 Brc1cccc(c1SCc2ncc[nH]2)Br 62a_100009994525_100016991755 [0,0,0,0,0,1|2,0,0]=3 1658 B16R2.25778 Brc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100009994525 [0,0,0,0,0,1|2,0,0]=3 1659 B16R2.25778 Brc1cccc(c1SCc2ncco2)Br 62a_100009994525_103436540062 [0,0,0,0,0,1|3,0,0]=4 1660 B16R2.25778 Brc1cccc(c1SCc2ncco2)Br 62a_103436540062_100009994525 [0,0,0,0,0,1|3,0,0]=4 1661 B16R2.25778 Brc1cccc(c1SCc2nccs2)Br 62a_100009994525_100015184050 [0,0,0,0,0,1|3,0,0]=4 1662 B16R2.25778 Brc1cccc(c1SCc2nccs2)Br 62a_100015184050_100009994525 [0,0,0,0,0,1|3,0,0]=4 1663 B16R2.25778 Brc1cncc(c1SCc2ncc[nH]2)Br 62a_100010172828_100016991755 [0,0,0,0,0,1|3,0,0]=4 1664 B16R2.25778 Brc1cncc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010172828 [0,0,0,0,0,1|3,0,0]=4 1665 B16R2.25778 Cc1ccc[n+](c1SCc2ncc[nH]2)[O-] 62a_100016991755_100116209805 [0,0,0,0,0,1|2,0,0]=3 1666 B16R2.25778 Cc1ccc[n+](c1SCc2ncco2)[O-] 62a_103436540062_100116209805 [0,0,0,0,0,1|3,0,0]=4 1667 B16R2.25778 Cc1ccc[n+](c1SCc2nccs2)[O-] 62a_100015184050_100116209805 [0,0,0,0,0,1|3,0,0]=4 1668 B16R2.25778 Cc1cccc(c1CNC2CC=CC2)C 207a_100015188752_100000758299 [0,0,0,0,0,1|2,0,1]=4 1669 B16R2.25778 Cc1cccc(c1CNC2CC=CC2)C 2230a_100015188752_100000758300 [0,0,0,0,0,1|2,0,1]=4 1670 B16R2.25778 Cc1cccc(c1CNC2CC=CC2)C 270004a_100015188752_100000758299 [0,0,0,0,0,1|2,0,1]=4 1671 B16R2.25778 Cc1cccc(c1CNc2ncns2)C 27a_100000689800_100000693119 [0,0,0,0,0,1|2,0,0]=3 1672 B16R2.25778 Cc1cccc(c1CNc2ncns2)F 27a_100000762012_100000693119 [0,0,0,0,0,1|3,0,0]=4 1673 B16R2.25778 Cc1cccc(c1CNc2nncs2)C 27a_100000689800_100000739804 [0,0,0,0,0,1|2,0,0]=3 1674 B16R2.25778 Cc1cccc(c1CNc2nncs2)F 27a_100000762012_100000739804 [0,0,0,0,0,1|3,0,0]=4 1675 B16R2.25778 Cc1cccc(c1COc2ccsc2)C 34a_100000106738_100000758300 [0,0,0,0,0,1|3,0,0]=4 1676 B16R2.25778 Cc1cccc(c1COc2ccsc2)C 7a_100000106738_100000758300 [0,0,0,0,0,1|3,0,0]=4 1677 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)Br 62a_100000756875_100010146847 [0,0,0,0,0,1|3,0,0]=4 1678 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)Br 62a_100010146847_100000756875 [0,0,0,0,0,1|3,0,0]=4 1679 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)C 62a_100000756875_100000758300 [0,0,0,0,0,1|2,0,0]=3 1680 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)C 62a_100000758300_100000756875 [0,0,0,0,0,1|2,0,0]=3 1681 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)F 62a_100000756875_100009814554 [0,0,0,0,0,1|3,0,0]=4 1682 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)F 62a_100009814554_100000756875 [0,0,0,0,0,1|3,0,0]=4 1683 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)I 62a_100000756875_100010150146 [0,0,0,0,0,1|3,0,0]=4 1684 B16R2.25778 Cc1cccc(c1CSc2c[nH]cn2)I 62a_100010150146_100000756875 [0,0,0,0,0,1|3,0,0]=4 1685 B16R2.25778 Cc1cccc(c1CSc2c[nH]nn2)C 62a_100000758300_100009819707 [0,0,0,0,0,1|3,0,0]=4 1686 B16R2.25778 Cc1cccc(c1CSc2c[nH]nn2)C 62a_100009819707_100000758300 [0,0,0,0,0,1|3,0,0]=4 1687 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)Br 62a_100000062575_100010146847 [0,0,0,0,0,1|3,0,0]=4 1688 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)Br 62a_100010146847_100000062575 [0,0,0,0,0,1|3,0,0]=4 1689 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)C 62a_100000062575_100000758300 [0,0,0,0,0,1|2,0,0]=3 1690 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)C 62a_100000758300_100000062575 [0,0,0,0,0,1|2,0,0]=3 1691 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)F 62a_100000062575_100009814554 [0,0,0,0,0,1|3,0,0]=4 1692 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)F 62a_100009814554_100000062575 [0,0,0,0,0,1|3,0,0]=4 1693 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)I 62a_100000062575_100010150146 [0,0,0,0,0,1|3,0,0]=4 1694 B16R2.25778 Cc1cccc(c1CSc2cc[nH]n2)I 62a_100010150146_100000062575 [0,0,0,0,0,1|3,0,0]=4 1695 B16R2.25778 Cc1cccc(c1CSc2ccco2)Br 62a_100009814098_100010146847 [0,0,0,0,0,1|3,0,0]=4 1696 B16R2.25778 Cc1cccc(c1CSc2ccco2)Br 62a_100010146847_100009814098 [0,0,0,0,0,1|3,0,0]=4 1697 B16R2.25778 Cc1cccc(c1CSc2ccco2)C 62a_100000758300_100009814098 [0,0,0,0,0,1|2,0,0]=3 1698 B16R2.25778 Cc1cccc(c1CSc2ccco2)C 62a_100009814098_100000758300 [0,0,0,0,0,1|2,0,0]=3 1699 B16R2.25778 Cc1cccc(c1CSc2ccco2)F 62a_100009814098_100009814554 [0,0,0,0,0,1|3,0,0]=4 1700 B16R2.25778 Cc1cccc(c1CSc2ccco2)F 62a_100009814554_100009814098 [0,0,0,0,0,1|3,0,0]=4 1701 B16R2.25778 Cc1cccc(c1CSc2ccco2)I 62a_100009814098_100010150146 [0,0,0,0,0,1|3,0,0]=4 1702 B16R2.25778 Cc1cccc(c1CSc2ccco2)I 62a_100010150146_100009814098 [0,0,0,0,0,1|3,0,0]=4 1703 B16R2.25778 Cc1cccc(c1CSc2cccs2)Br 62a_100010146847_100011215356 [0,0,0,0,0,1|3,0,0]=4 1704 B16R2.25778 Cc1cccc(c1CSc2cccs2)Br 62a_100011215356_100010146847 [0,0,0,0,0,1|3,0,0]=4 1705 B16R2.25778 Cc1cccc(c1CSc2cccs2)C 62a_100000758300_100011215356 [0,0,0,0,0,1|2,0,0]=3 1706 B16R2.25778 Cc1cccc(c1CSc2cccs2)C 62a_100011215356_100000758300 [0,0,0,0,0,1|2,0,0]=3 1707 B16R2.25778 Cc1cccc(c1CSc2cccs2)F 62a_100009814554_100011215356 [0,0,0,0,0,1|3,0,0]=4 1708 B16R2.25778 Cc1cccc(c1CSc2cccs2)F 62a_100011215356_100009814554 [0,0,0,0,0,1|3,0,0]=4 1709 B16R2.25778 Cc1cccc(c1CSc2cccs2)I 62a_100010150146_100011215356 [0,0,0,0,0,1|3,0,0]=4 1710 B16R2.25778 Cc1cccc(c1CSc2cccs2)I 62a_100011215356_100010150146 [0,0,0,0,0,1|3,0,0]=4 1711 B16R2.25778 Cc1cccc(c1CSc2ccoc2)C 62a_100000758300_100011215275 [0,0,0,0,0,1|3,0,0]=4 1712 B16R2.25778 Cc1cccc(c1CSc2ccoc2)C 62a_100011215275_100000758300 [0,0,0,0,0,1|3,0,0]=4 1713 B16R2.25778 Cc1cccc(c1CSc2ccon2)Br 62a_100009818083_100010146847 [0,0,0,0,0,1|3,0,0]=4 1714 B16R2.25778 Cc1cccc(c1CSc2ccon2)Br 62a_100010146847_100009818083 [0,0,0,0,0,1|3,0,0]=4 1715 B16R2.25778 Cc1cccc(c1CSc2ccon2)C 62a_100000758300_100009818083 [0,0,0,0,0,1|2,0,0]=3 1716 B16R2.25778 Cc1cccc(c1CSc2ccon2)C 62a_100009818083_100000758300 [0,0,0,0,0,1|2,0,0]=3 1717 B16R2.25778 Cc1cccc(c1CSc2ccon2)F 62a_100009814554_100009818083 [0,0,0,0,0,1|3,0,0]=4 1718 B16R2.25778 Cc1cccc(c1CSc2ccon2)F 62a_100009818083_100009814554 [0,0,0,0,0,1|3,0,0]=4 1719 B16R2.25778 Cc1cccc(c1CSc2ccon2)I 62a_100009818083_100010150146 [0,0,0,0,0,1|3,0,0]=4 1720 B16R2.25778 Cc1cccc(c1CSc2ccon2)I 62a_100010150146_100009818083 [0,0,0,0,0,1|3,0,0]=4 1721 B16R2.25778 Cc1cccc(c1CSc2ccsc2)C 62a_100000738268_100000758300 [0,0,0,0,0,1|3,0,0]=4 1722 B16R2.25778 Cc1cccc(c1CSc2ccsc2)C 62a_100000758300_100000738268 [0,0,0,0,0,1|3,0,0]=4 1723 B16R2.25778 Cc1cccc(c1CSc2ccsn2)Br 62a_100009818082_100010146847 [0,0,0,0,0,1|3,0,0]=4 1724 B16R2.25778 Cc1cccc(c1CSc2ccsn2)Br 62a_100010146847_100009818082 [0,0,0,0,0,1|3,0,0]=4 1725 B16R2.25778 Cc1cccc(c1CSc2ccsn2)C 62a_100000758300_100009818082 [0,0,0,0,0,1|2,0,0]=3 1726 B16R2.25778 Cc1cccc(c1CSc2ccsn2)C 62a_100009818082_100000758300 [0,0,0,0,0,1|2,0,0]=3 1727 B16R2.25778 Cc1cccc(c1CSc2ccsn2)F 62a_100009814554_100009818082 [0,0,0,0,0,1|3,0,0]=4 1728 B16R2.25778 Cc1cccc(c1CSc2ccsn2)F 62a_100009818082_100009814554 [0,0,0,0,0,1|3,0,0]=4 1729 B16R2.25778 Cc1cccc(c1CSc2ccsn2)I 62a_100009818082_100010150146 [0,0,0,0,0,1|3,0,0]=4 1730 B16R2.25778 Cc1cccc(c1CSc2ccsn2)I 62a_100010150146_100009818082 [0,0,0,0,0,1|3,0,0]=4 1731 B16R2.25778 Cc1cccc(c1CSc2cnco2)C 62a_100000758300_100020591547 [0,0,0,0,0,1|3,0,0]=4 1732 B16R2.25778 Cc1cccc(c1CSc2cnco2)C 62a_100020591547_100000758300 [0,0,0,0,0,1|3,0,0]=4 1733 B16R2.25778 Cc1cccc(c1CSc2cncs2)C 62a_100000758300_100011934649 [0,0,0,0,0,1|3,0,0]=4 1734 B16R2.25778 Cc1cccc(c1CSc2cncs2)C 62a_100011934649_100000758300 [0,0,0,0,0,1|3,0,0]=4 1735 B16R2.25778 Cc1cccc(c1CSc2cscn2)Br 62a_100000751502_100010146847 [0,0,0,0,0,1|3,0,0]=4 1736 B16R2.25778 Cc1cccc(c1CSc2cscn2)Br 62a_100010146847_100000751502 [0,0,0,0,0,1|3,0,0]=4 1737 B16R2.25778 Cc1cccc(c1CSc2cscn2)C 62a_100000751502_100000758300 [0,0,0,0,0,1|2,0,0]=3 1738 B16R2.25778 Cc1cccc(c1CSc2cscn2)C 62a_100000758300_100000751502 [0,0,0,0,0,1|2,0,0]=3 1739 B16R2.25778 Cc1cccc(c1CSc2cscn2)F 62a_100000751502_100009814554 [0,0,0,0,0,1|3,0,0]=4 1740 B16R2.25778 Cc1cccc(c1CSc2cscn2)F 62a_100009814554_100000751502 [0,0,0,0,0,1|3,0,0]=4 1741 B16R2.25778 Cc1cccc(c1CSc2cscn2)I 62a_100000751502_100010150146 [0,0,0,0,0,1|3,0,0]=4 1742 B16R2.25778 Cc1cccc(c1CSc2cscn2)I 62a_100010150146_100000751502 [0,0,0,0,0,1|3,0,0]=4 1743 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)Br 62a_100000761765_100010146847 [0,0,0,0,0,1|2,0,1]=4 1744 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)Br 62a_100010146847_100000761765 [0,0,0,0,0,1|2,0,1]=4 1745 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)C 62a_100000758300_100000761765 [0,0,0,0,0,1|1,0,1]=3 1746 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)C 62a_100000761765_100000758300 [0,0,0,0,0,1|1,0,1]=3 1747 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)F 62a_100000761765_100009814554 [0,0,0,0,0,1|2,0,1]=4 1748 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)F 62a_100009814554_100000761765 [0,0,0,0,0,1|2,0,1]=4 1749 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)I 62a_100000761765_100010150146 [0,0,0,0,0,1|2,0,1]=4 1750 B16R2.25778 Cc1cccc(c1CSc2nc[nH]n2)I 62a_100010150146_100000761765 [0,0,0,0,0,1|2,0,1]=4 1751 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100010146847_100025796157 [0,0,0,0,0,1|1,0,0]=2 1752 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100025796157_100010146847 [0,0,0,0,0,1|1,0,0]=2 1753 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)C 62a_100000758300_100025796157 [0,0,0,0,0,1|0,0,0]=1 1754 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)C 62a_100025796157_100000758300 [0,0,0,0,0,1|0,0,0]=1 1755 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)F 62a_100009814554_100025796157 [0,0,0,0,0,1|1,0,0]=2 1756 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100009814554 [0,0,0,0,0,1|1,0,0]=2 1757 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)I 62a_100010150146_100025796157 [0,0,0,0,0,1|1,0,0]=2 1758 B16R2.25778 Cc1cccc(c1CSc2ncc[nH]2)I 62a_100025796157_100010150146 [0,0,0,0,0,1|1,0,0]=2 1759 B16R2.25778 Cc1cccc(c1CSc2ncco2)Br 62a_100010146847_100011787736 [0,0,0,0,0,1|2,0,0]=3 1760 B16R2.25778 Cc1cccc(c1CSc2ncco2)Br 62a_100011787736_100010146847 [0,0,0,0,0,1|2,0,0]=3 1761 B16R2.25778 Cc1cccc(c1CSc2ncco2)C 62a_100000758300_100011787736 [0,0,0,0,0,1|1,0,0]=2 1762 B16R2.25778 Cc1cccc(c1CSc2ncco2)C 62a_100011787736_100000758300 [0,0,0,0,0,1|1,0,0]=2 1763 B16R2.25778 Cc1cccc(c1CSc2ncco2)F 62a_100009814554_100011787736 [0,0,0,0,0,1|2,0,0]=3 1764 B16R2.25778 Cc1cccc(c1CSc2ncco2)F 62a_100011787736_100009814554 [0,0,0,0,0,1|2,0,0]=3 1765 B16R2.25778 Cc1cccc(c1CSc2ncco2)I 62a_100010150146_100011787736 [0,0,0,0,0,1|2,0,0]=3 1766 B16R2.25778 Cc1cccc(c1CSc2ncco2)I 62a_100011787736_100010150146 [0,0,0,0,0,1|2,0,0]=3 1767 B16R2.25778 Cc1cccc(c1CSc2nccs2)Br 62a_100000211983_100010146847 [0,0,0,0,0,1|2,0,0]=3 1768 B16R2.25778 Cc1cccc(c1CSc2nccs2)Br 62a_100010146847_100000211983 [0,0,0,0,0,1|2,0,0]=3 1769 B16R2.25778 Cc1cccc(c1CSc2nccs2)C 62a_100000211983_100000758300 [0,0,0,0,0,1|1,0,0]=2 1770 B16R2.25778 Cc1cccc(c1CSc2nccs2)C 62a_100000758300_100000211983 [0,0,0,0,0,1|1,0,0]=2 1771 B16R2.25778 Cc1cccc(c1CSc2nccs2)F 62a_100000211983_100009814554 [0,0,0,0,0,1|2,0,0]=3 1772 B16R2.25778 Cc1cccc(c1CSc2nccs2)F 62a_100009814554_100000211983 [0,0,0,0,0,1|2,0,0]=3 1773 B16R2.25778 Cc1cccc(c1CSc2nccs2)I 62a_100000211983_100010150146 [0,0,0,0,0,1|2,0,0]=3 1774 B16R2.25778 Cc1cccc(c1CSc2nccs2)I 62a_100010150146_100000211983 [0,0,0,0,0,1|2,0,0]=3 1775 B16R2.25778 Cc1cccc(c1CSc2ncns2)Br 62a_100000693119_100010146847 [0,0,0,0,0,1|3,0,0]=4 1776 B16R2.25778 Cc1cccc(c1CSc2ncns2)Br 62a_100010146847_100000693119 [0,0,0,0,0,1|3,0,0]=4 1777 B16R2.25778 Cc1cccc(c1CSc2ncns2)C 62a_100000693119_100000758300 [0,0,0,0,0,1|2,0,0]=3 1778 B16R2.25778 Cc1cccc(c1CSc2ncns2)C 62a_100000758300_100000693119 [0,0,0,0,0,1|2,0,0]=3 1779 B16R2.25778 Cc1cccc(c1CSc2ncns2)F 62a_100000693119_100009814554 [0,0,0,0,0,1|3,0,0]=4 1780 B16R2.25778 Cc1cccc(c1CSc2ncns2)F 62a_100009814554_100000693119 [0,0,0,0,0,1|3,0,0]=4 1781 B16R2.25778 Cc1cccc(c1CSc2ncns2)I 62a_100000693119_100010150146 [0,0,0,0,0,1|3,0,0]=4 1782 B16R2.25778 Cc1cccc(c1CSc2ncns2)I 62a_100010150146_100000693119 [0,0,0,0,0,1|3,0,0]=4 1783 B16R2.25778 Cc1cccc(c1CSc2nncs2)Br 62a_100000739804_100010146847 [0,0,0,0,0,1|3,0,0]=4 1784 B16R2.25778 Cc1cccc(c1CSc2nncs2)Br 62a_100010146847_100000739804 [0,0,0,0,0,1|3,0,0]=4 1785 B16R2.25778 Cc1cccc(c1CSc2nncs2)C 62a_100000739804_100000758300 [0,0,0,0,0,1|2,0,0]=3 1786 B16R2.25778 Cc1cccc(c1CSc2nncs2)C 62a_100000758300_100000739804 [0,0,0,0,0,1|2,0,0]=3 1787 B16R2.25778 Cc1cccc(c1CSc2nncs2)F 62a_100000739804_100009814554 [0,0,0,0,0,1|3,0,0]=4 1788 B16R2.25778 Cc1cccc(c1CSc2nncs2)F 62a_100009814554_100000739804 [0,0,0,0,0,1|3,0,0]=4 1789 B16R2.25778 Cc1cccc(c1CSc2nncs2)I 62a_100000739804_100010150146 [0,0,0,0,0,1|3,0,0]=4 1790 B16R2.25778 Cc1cccc(c1CSc2nncs2)I 62a_100010150146_100000739804 [0,0,0,0,0,1|3,0,0]=4 1791 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [0,0,0,0,0,1|1,0,2]=4 1792 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [0,0,0,0,0,1|0,0,2]=3 1793 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [0,0,0,0,0,1|1,0,2]=4 1794 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [0,0,0,0,0,1|1,0,2]=4 1795 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [0,0,0,0,0,1|1,0,2]=4 1796 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)Br 34a_100011834072_100000707719 [0,0,0,0,0,1|3,0,0]=4 1797 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)C 34a_100000185769_100000707719 [0,0,0,0,0,1|2,0,0]=3 1798 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)Cl 34a_100000756524_100000707719 [0,0,0,0,0,1|3,0,0]=4 1799 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)F 34a_100000766463_100000707719 [0,0,0,0,0,1|3,0,0]=4 1800 B16R2.25778 Cc1cccc(c1NCc2c[nH]cn2)O 34a_100000743429_100000707719 [0,0,0,0,0,1|3,0,0]=4 1801 B16R2.25778 Cc1cccc(c1NCc2cc[nH]n2)C 207a_100000185769_100000738523 [0,0,0,0,0,1|2,0,0]=3 1802 B16R2.25778 Cc1cccc(c1NCc2cc[nH]n2)F 207a_100000766463_100000738523 [0,0,0,0,0,1|3,0,0]=4 1803 B16R2.25778 Cc1cccc(c1NCc2ccco2)C 207a_100000185769_100000186105 [0,0,0,0,0,1|2,0,0]=3 1804 B16R2.25778 Cc1cccc(c1NCc2ccco2)F 207a_100000766463_100000186105 [0,0,0,0,0,1|3,0,0]=4 1805 B16R2.25778 Cc1cccc(c1NCc2cccs2)C 207a_100000185769_100000209959 [0,0,0,0,0,1|2,0,0]=3 1806 B16R2.25778 Cc1cccc(c1NCc2cccs2)F 207a_100000766463_100000209959 [0,0,0,0,0,1|3,0,0]=4 1807 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)Br 34a_100011834072_100000728653 [0,0,0,0,0,1|3,0,0]=4 1808 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)C 34a_100000185769_100000728653 [0,0,0,0,0,1|2,0,0]=3 1809 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)Cl 34a_100000756524_100000728653 [0,0,0,0,0,1|3,0,0]=4 1810 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)F 34a_100000766463_100000728653 [0,0,0,0,0,1|3,0,0]=4 1811 B16R2.25778 Cc1cccc(c1NCc2ccn[nH]2)O 34a_100000743429_100000728653 [0,0,0,0,0,1|3,0,0]=4 1812 B16R2.25778 Cc1cccc(c1NCc2ccoc2)C 207a_100000185769_100011215517 [0,0,0,0,0,1|3,0,0]=4 1813 B16R2.25778 Cc1cccc(c1NCc2ccon2)Br 34a_100011834072_100000234950 [0,0,0,0,0,1|3,0,0]=4 1814 B16R2.25778 Cc1cccc(c1NCc2ccon2)C 34a_100000185769_100000234950 [0,0,0,0,0,1|2,0,0]=3 1815 B16R2.25778 Cc1cccc(c1NCc2ccon2)Cl 34a_100000756524_100000234950 [0,0,0,0,0,1|3,0,0]=4 1816 B16R2.25778 Cc1cccc(c1NCc2ccon2)F 34a_100000766463_100000234950 [0,0,0,0,0,1|3,0,0]=4 1817 B16R2.25778 Cc1cccc(c1NCc2ccon2)O 34a_100000743429_100000234950 [0,0,0,0,0,1|3,0,0]=4 1818 B16R2.25778 Cc1cccc(c1NCc2ccsc2)C 207a_100000185769_100000188534 [0,0,0,0,0,1|3,0,0]=4 1819 B16R2.25778 Cc1cccc(c1NCc2ccsc2)C 34a_100000185769_100011261437 [0,0,0,0,0,1|3,0,0]=4 1820 B16R2.25778 Cc1cccc(c1NCc2cnc[nH]2)C 207a_100000185769_100000742939 [0,0,0,0,0,1|2,0,0]=3 1821 B16R2.25778 Cc1cccc(c1NCc2cnc[nH]2)F 207a_100000766463_100000742939 [0,0,0,0,0,1|3,0,0]=4 1822 B16R2.25778 Cc1cccc(c1NCc2cncs2)C 207a_100000185769_100000749870 [0,0,0,0,0,1|3,0,0]=4 1823 B16R2.25778 Cc1cccc(c1NCc2cncs2)C 34a_100000185769_100015185245 [0,0,0,0,0,1|3,0,0]=4 1824 B16R2.25778 Cc1cccc(c1NCc2cscn2)Br 34a_100011834072_100000205941 [0,0,0,0,0,1|3,0,0]=4 1825 B16R2.25778 Cc1cccc(c1NCc2cscn2)C 207a_100000185769_100000743575 [0,0,0,0,0,1|2,0,0]=3 1826 B16R2.25778 Cc1cccc(c1NCc2cscn2)C 34a_100000185769_100000205941 [0,0,0,0,0,1|2,0,0]=3 1827 B16R2.25778 Cc1cccc(c1NCc2cscn2)Cl 34a_100000756524_100000205941 [0,0,0,0,0,1|3,0,0]=4 1828 B16R2.25778 Cc1cccc(c1NCc2cscn2)F 207a_100000766463_100000743575 [0,0,0,0,0,1|3,0,0]=4 1829 B16R2.25778 Cc1cccc(c1NCc2cscn2)F 34a_100000766463_100000205941 [0,0,0,0,0,1|3,0,0]=4 1830 B16R2.25778 Cc1cccc(c1NCc2cscn2)O 34a_100000743429_100000205941 [0,0,0,0,0,1|3,0,0]=4 1831 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)Br 34a_100011834072_100016991755 [0,0,0,0,0,1|1,0,0]=2 1832 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)C 207a_100000185769_100000743867 [0,0,0,0,0,1|0,0,0]=1 1833 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)C 34a_100000185769_100016991755 [0,0,0,0,0,1|0,0,0]=1 1834 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000756524_100016991755 [0,0,0,0,0,1|1,0,0]=2 1835 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)F 207a_100000766463_100000743867 [0,0,0,0,0,1|1,0,0]=2 1836 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)F 34a_100000766463_100016991755 [0,0,0,0,0,1|1,0,0]=2 1837 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)O 34a_100000743429_100016991755 [0,0,0,0,0,1|1,0,0]=2 1838 B16R2.25778 Cc1cccc(c1NCc2ncco2)Br 34a_100011834072_103436540062 [0,0,0,0,0,1|2,0,0]=3 1839 B16R2.25778 Cc1cccc(c1NCc2ncco2)C 34a_100000185769_103436540062 [0,0,0,0,0,1|1,0,0]=2 1840 B16R2.25778 Cc1cccc(c1NCc2ncco2)Cl 34a_100000756524_103436540062 [0,0,0,0,0,1|2,0,0]=3 1841 B16R2.25778 Cc1cccc(c1NCc2ncco2)F 34a_100000766463_103436540062 [0,0,0,0,0,1|2,0,0]=3 1842 B16R2.25778 Cc1cccc(c1NCc2ncco2)O 34a_100000743429_103436540062 [0,0,0,0,0,1|2,0,0]=3 1843 B16R2.25778 Cc1cccc(c1NCc2nccs2)Br 34a_100011834072_100015184050 [0,0,0,0,0,1|2,0,0]=3 1844 B16R2.25778 Cc1cccc(c1NCc2nccs2)C 207a_100000185769_100000750902 [0,0,0,0,0,1|1,0,0]=2 1845 B16R2.25778 Cc1cccc(c1NCc2nccs2)C 34a_100000185769_100015184050 [0,0,0,0,0,1|1,0,0]=2 1846 B16R2.25778 Cc1cccc(c1NCc2nccs2)Cl 34a_100000756524_100015184050 [0,0,0,0,0,1|2,0,0]=3 1847 B16R2.25778 Cc1cccc(c1NCc2nccs2)F 207a_100000766463_100000750902 [0,0,0,0,0,1|2,0,0]=3 1848 B16R2.25778 Cc1cccc(c1NCc2nccs2)F 34a_100000766463_100015184050 [0,0,0,0,0,1|2,0,0]=3 1849 B16R2.25778 Cc1cccc(c1NCc2nccs2)O 34a_100000743429_100015184050 [0,0,0,0,0,1|2,0,0]=3 1850 B16R2.25778 Cc1cccc(c1NCc2ncon2)Br 34a_100011834072_100000233494 [0,0,0,0,0,1|2,0,1]=4 1851 B16R2.25778 Cc1cccc(c1NCc2ncon2)C 34a_100000185769_100000233494 [0,0,0,0,0,1|1,0,1]=3 1852 B16R2.25778 Cc1cccc(c1NCc2ncon2)Cl 34a_100000756524_100000233494 [0,0,0,0,0,1|2,0,1]=4 1853 B16R2.25778 Cc1cccc(c1NCc2ncon2)F 34a_100000766463_100000233494 [0,0,0,0,0,1|2,0,1]=4 1854 B16R2.25778 Cc1cccc(c1NCc2ncon2)O 34a_100000743429_100000233494 [0,0,0,0,0,1|2,0,1]=4 1855 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)Br 34a_100011834072_100000765167 [0,0,0,0,0,1|3,0,0]=4 1856 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)C 34a_100000185769_100000765167 [0,0,0,0,0,1|2,0,0]=3 1857 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000756524_100000765167 [0,0,0,0,0,1|3,0,0]=4 1858 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)F 34a_100000766463_100000765167 [0,0,0,0,0,1|3,0,0]=4 1859 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)O 34a_100000743429_100000765167 [0,0,0,0,0,1|3,0,0]=4 1860 B16R2.25778 Cc1cccc(c1NCn2cncn2)C 34a_100000185769_200020645497 [0,0,0,0,0,1|3,0,0]=4 1861 B16R2.25778 Cc1cccc(c1NN=C2CC=CC2)C 4a_100016987787_100000766571 [0,0,0,0,0,1|3,0,0]=4 1862 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817157_100000737910 [0,0,0,0,0,1|1,0,2]=4 1863 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 7a_100009817157_100000737910 [0,0,0,0,0,1|1,0,2]=4 1864 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 34a_100000210341_100000737910 [0,0,0,0,0,1|0,0,2]=3 1865 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 7a_100000210341_100000737910 [0,0,0,0,0,1|0,0,2]=3 1866 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 34a_100000033731_100000737910 [0,0,0,0,0,1|1,0,2]=4 1867 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 7a_100000033731_100000737910 [0,0,0,0,0,1|1,0,2]=4 1868 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 34a_100011659162_100000737910 [0,0,0,0,0,1|1,0,2]=4 1869 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 7a_100011659162_100000737910 [0,0,0,0,0,1|1,0,2]=4 1870 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 34a_100000756359_100000737910 [0,0,0,0,0,1|1,0,2]=4 1871 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 7a_100000756359_100000737910 [0,0,0,0,0,1|1,0,2]=4 1872 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)Br 34a_100009817157_100000707719 [0,0,0,0,0,1|3,0,0]=4 1873 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)C 34a_100000210341_100000707719 [0,0,0,0,0,1|2,0,0]=3 1874 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)Cl 34a_100000033731_100000707719 [0,0,0,0,0,1|3,0,0]=4 1875 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)F 34a_100011659162_100000707719 [0,0,0,0,0,1|3,0,0]=4 1876 B16R2.25778 Cc1cccc(c1OCc2c[nH]cn2)N 34a_100000756359_100000707719 [0,0,0,0,0,1|3,0,0]=4 1877 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)Br 34a_100009817157_100000728653 [0,0,0,0,0,1|3,0,0]=4 1878 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)Br 7a_100009817157_100000728653 [0,0,0,0,0,1|3,0,0]=4 1879 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)C 34a_100000210341_100000728653 [0,0,0,0,0,1|2,0,0]=3 1880 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)C 7a_100000210341_100000728653 [0,0,0,0,0,1|2,0,0]=3 1881 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)Cl 34a_100000033731_100000728653 [0,0,0,0,0,1|3,0,0]=4 1882 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)Cl 7a_100000033731_100000728653 [0,0,0,0,0,1|3,0,0]=4 1883 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)F 34a_100011659162_100000728653 [0,0,0,0,0,1|3,0,0]=4 1884 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)F 7a_100011659162_100000728653 [0,0,0,0,0,1|3,0,0]=4 1885 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)N 34a_100000756359_100000728653 [0,0,0,0,0,1|3,0,0]=4 1886 B16R2.25778 Cc1cccc(c1OCc2ccn[nH]2)N 7a_100000756359_100000728653 [0,0,0,0,0,1|3,0,0]=4 1887 B16R2.25778 Cc1cccc(c1OCc2ccon2)Br 34a_100009817157_100000234950 [0,0,0,0,0,1|3,0,0]=4 1888 B16R2.25778 Cc1cccc(c1OCc2ccon2)Br 7a_100009817157_100000234950 [0,0,0,0,0,1|3,0,0]=4 1889 B16R2.25778 Cc1cccc(c1OCc2ccon2)C 34a_100000210341_100000234950 [0,0,0,0,0,1|2,0,0]=3 1890 B16R2.25778 Cc1cccc(c1OCc2ccon2)C 7a_100000210341_100000234950 [0,0,0,0,0,1|2,0,0]=3 1891 B16R2.25778 Cc1cccc(c1OCc2ccon2)Cl 34a_100000033731_100000234950 [0,0,0,0,0,1|3,0,0]=4 1892 B16R2.25778 Cc1cccc(c1OCc2ccon2)Cl 7a_100000033731_100000234950 [0,0,0,0,0,1|3,0,0]=4 1893 B16R2.25778 Cc1cccc(c1OCc2ccon2)F 34a_100011659162_100000234950 [0,0,0,0,0,1|3,0,0]=4 1894 B16R2.25778 Cc1cccc(c1OCc2ccon2)F 7a_100011659162_100000234950 [0,0,0,0,0,1|3,0,0]=4 1895 B16R2.25778 Cc1cccc(c1OCc2ccon2)N 34a_100000756359_100000234950 [0,0,0,0,0,1|3,0,0]=4 1896 B16R2.25778 Cc1cccc(c1OCc2ccon2)N 7a_100000756359_100000234950 [0,0,0,0,0,1|3,0,0]=4 1897 B16R2.25778 Cc1cccc(c1OCc2ccsc2)C 34a_100000210341_100011261437 [0,0,0,0,0,1|3,0,0]=4 1898 B16R2.25778 Cc1cccc(c1OCc2ccsc2)C 7a_100000210341_100011261437 [0,0,0,0,0,1|3,0,0]=4 1899 B16R2.25778 Cc1cccc(c1OCc2cncs2)C 34a_100000210341_100015185245 [0,0,0,0,0,1|3,0,0]=4 1900 B16R2.25778 Cc1cccc(c1OCc2cncs2)C 7a_100000210341_100015185245 [0,0,0,0,0,1|3,0,0]=4 1901 B16R2.25778 Cc1cccc(c1OCc2cscn2)Br 34a_100009817157_100000205941 [0,0,0,0,0,1|3,0,0]=4 1902 B16R2.25778 Cc1cccc(c1OCc2cscn2)Br 7a_100009817157_100000205941 [0,0,0,0,0,1|3,0,0]=4 1903 B16R2.25778 Cc1cccc(c1OCc2cscn2)C 34a_100000210341_100000205941 [0,0,0,0,0,1|2,0,0]=3 1904 B16R2.25778 Cc1cccc(c1OCc2cscn2)C 7a_100000210341_100000205941 [0,0,0,0,0,1|2,0,0]=3 1905 B16R2.25778 Cc1cccc(c1OCc2cscn2)Cl 34a_100000033731_100000205941 [0,0,0,0,0,1|3,0,0]=4 1906 B16R2.25778 Cc1cccc(c1OCc2cscn2)Cl 7a_100000033731_100000205941 [0,0,0,0,0,1|3,0,0]=4 1907 B16R2.25778 Cc1cccc(c1OCc2cscn2)F 34a_100011659162_100000205941 [0,0,0,0,0,1|3,0,0]=4 1908 B16R2.25778 Cc1cccc(c1OCc2cscn2)F 7a_100011659162_100000205941 [0,0,0,0,0,1|3,0,0]=4 1909 B16R2.25778 Cc1cccc(c1OCc2cscn2)N 34a_100000756359_100000205941 [0,0,0,0,0,1|3,0,0]=4 1910 B16R2.25778 Cc1cccc(c1OCc2cscn2)N 7a_100000756359_100000205941 [0,0,0,0,0,1|3,0,0]=4 1911 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Br 34a_100009817157_100016991755 [0,0,0,0,0,1|1,0,0]=2 1912 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Br 7a_100009817157_100000753453 [0,0,0,0,0,1|1,0,0]=2 1913 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)C 34a_100000210341_100016991755 [0,0,0,0,0,1|0,0,0]=1 1914 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)C 7a_100000210341_100000753453 [0,0,0,0,0,1|0,0,0]=1 1915 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000033731_100016991755 [0,0,0,0,0,1|1,0,0]=2 1916 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000033731_100000753453 [0,0,0,0,0,1|1,0,0]=2 1917 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)F 34a_100011659162_100016991755 [0,0,0,0,0,1|1,0,0]=2 1918 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)F 7a_100011659162_100000753453 [0,0,0,0,0,1|1,0,0]=2 1919 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)N 34a_100000756359_100016991755 [0,0,0,0,0,1|1,0,0]=2 1920 B16R2.25778 Cc1cccc(c1OCc2ncc[nH]2)N 7a_100000756359_100000753453 [0,0,0,0,0,1|1,0,0]=2 1921 B16R2.25778 Cc1cccc(c1OCc2ncco2)Br 34a_100009817157_103436540062 [0,0,0,0,0,1|2,0,0]=3 1922 B16R2.25778 Cc1cccc(c1OCc2ncco2)Br 7a_100009817157_103436540062 [0,0,0,0,0,1|2,0,0]=3 1923 B16R2.25778 Cc1cccc(c1OCc2ncco2)C 34a_100000210341_103436540062 [0,0,0,0,0,1|1,0,0]=2 1924 B16R2.25778 Cc1cccc(c1OCc2ncco2)C 7a_100000210341_103436540062 [0,0,0,0,0,1|1,0,0]=2 1925 B16R2.25778 Cc1cccc(c1OCc2ncco2)Cl 34a_100000033731_103436540062 [0,0,0,0,0,1|2,0,0]=3 1926 B16R2.25778 Cc1cccc(c1OCc2ncco2)Cl 7a_100000033731_103436540062 [0,0,0,0,0,1|2,0,0]=3 1927 B16R2.25778 Cc1cccc(c1OCc2ncco2)F 34a_100011659162_103436540062 [0,0,0,0,0,1|2,0,0]=3 1928 B16R2.25778 Cc1cccc(c1OCc2ncco2)F 7a_100011659162_103436540062 [0,0,0,0,0,1|2,0,0]=3 1929 B16R2.25778 Cc1cccc(c1OCc2ncco2)N 34a_100000756359_103436540062 [0,0,0,0,0,1|2,0,0]=3 1930 B16R2.25778 Cc1cccc(c1OCc2ncco2)N 7a_100000756359_103436540062 [0,0,0,0,0,1|2,0,0]=3 1931 B16R2.25778 Cc1cccc(c1OCc2nccs2)Br 34a_100009817157_100015184050 [0,0,0,0,0,1|2,0,0]=3 1932 B16R2.25778 Cc1cccc(c1OCc2nccs2)Br 7a_100009817157_100015184050 [0,0,0,0,0,1|2,0,0]=3 1933 B16R2.25778 Cc1cccc(c1OCc2nccs2)C 34a_100000210341_100015184050 [0,0,0,0,0,1|1,0,0]=2 1934 B16R2.25778 Cc1cccc(c1OCc2nccs2)C 7a_100000210341_100015184050 [0,0,0,0,0,1|1,0,0]=2 1935 B16R2.25778 Cc1cccc(c1OCc2nccs2)Cl 34a_100000033731_100015184050 [0,0,0,0,0,1|2,0,0]=3 1936 B16R2.25778 Cc1cccc(c1OCc2nccs2)Cl 7a_100000033731_100015184050 [0,0,0,0,0,1|2,0,0]=3 1937 B16R2.25778 Cc1cccc(c1OCc2nccs2)F 34a_100011659162_100015184050 [0,0,0,0,0,1|2,0,0]=3 1938 B16R2.25778 Cc1cccc(c1OCc2nccs2)F 7a_100011659162_100015184050 [0,0,0,0,0,1|2,0,0]=3 1939 B16R2.25778 Cc1cccc(c1OCc2nccs2)N 34a_100000756359_100015184050 [0,0,0,0,0,1|2,0,0]=3 1940 B16R2.25778 Cc1cccc(c1OCc2nccs2)N 7a_100000756359_100015184050 [0,0,0,0,0,1|2,0,0]=3 1941 B16R2.25778 Cc1cccc(c1OCc2ncon2)Br 34a_100009817157_100000233494 [0,0,0,0,0,1|2,0,1]=4 1942 B16R2.25778 Cc1cccc(c1OCc2ncon2)C 34a_100000210341_100000233494 [0,0,0,0,0,1|1,0,1]=3 1943 B16R2.25778 Cc1cccc(c1OCc2ncon2)Cl 34a_100000033731_100000233494 [0,0,0,0,0,1|2,0,1]=4 1944 B16R2.25778 Cc1cccc(c1OCc2ncon2)F 34a_100011659162_100000233494 [0,0,0,0,0,1|2,0,1]=4 1945 B16R2.25778 Cc1cccc(c1OCc2ncon2)N 34a_100000756359_100000233494 [0,0,0,0,0,1|2,0,1]=4 1946 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Br 34a_100009817157_100000765167 [0,0,0,0,0,1|3,0,0]=4 1947 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Br 7a_100009817157_100000765167 [0,0,0,0,0,1|3,0,0]=4 1948 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)C 34a_100000210341_100000765167 [0,0,0,0,0,1|2,0,0]=3 1949 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)C 7a_100000210341_100000765167 [0,0,0,0,0,1|2,0,0]=3 1950 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000033731_100000765167 [0,0,0,0,0,1|3,0,0]=4 1951 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000033731_100000765167 [0,0,0,0,0,1|3,0,0]=4 1952 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)F 34a_100011659162_100000765167 [0,0,0,0,0,1|3,0,0]=4 1953 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)F 7a_100011659162_100000765167 [0,0,0,0,0,1|3,0,0]=4 1954 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)N 34a_100000756359_100000765167 [0,0,0,0,0,1|3,0,0]=4 1955 B16R2.25778 Cc1cccc(c1OCc2nnn[nH]2)N 7a_100000756359_100000765167 [0,0,0,0,0,1|3,0,0]=4 1956 B16R2.25778 Cc1cccc(c1OCn2cncn2)C 34a_100000210341_200020645497 [0,0,0,0,0,1|3,0,0]=4 1957 B16R2.25778 Cc1cccc(c1OCn2cncn2)C 7a_100000210341_200020645497 [0,0,0,0,0,1|3,0,0]=4 1958 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010141302 [0,0,0,0,0,1|1,0,2]=4 1959 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100010141302_100000737910 [0,0,0,0,0,1|1,0,2]=4 1960 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000033847_100000737910 [0,0,0,0,0,1|0,0,2]=3 1961 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000033847 [0,0,0,0,0,1|0,0,2]=3 1962 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000043165_100000737910 [0,0,0,0,0,1|1,0,2]=4 1963 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000043165 [0,0,0,0,0,1|1,0,2]=4 1964 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011218421 [0,0,0,0,0,1|1,0,2]=4 1965 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100011218421_100000737910 [0,0,0,0,0,1|1,0,2]=4 1966 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000684715_100000737910 [0,0,0,0,0,1|1,0,2]=4 1967 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000684715 [0,0,0,0,0,1|1,0,2]=4 1968 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000686692_100000737910 [0,0,0,0,0,1|1,0,2]=4 1969 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100000686692 [0,0,0,0,0,1|1,0,2]=4 1970 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)Br 62a_100000707719_100010141302 [0,0,0,0,0,1|3,0,0]=4 1971 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)Br 62a_100010141302_100000707719 [0,0,0,0,0,1|3,0,0]=4 1972 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)C 62a_100000033847_100000707719 [0,0,0,0,0,1|2,0,0]=3 1973 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)C 62a_100000707719_100000033847 [0,0,0,0,0,1|2,0,0]=3 1974 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)Cl 62a_100000043165_100000707719 [0,0,0,0,0,1|3,0,0]=4 1975 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)Cl 62a_100000707719_100000043165 [0,0,0,0,0,1|3,0,0]=4 1976 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)F 62a_100000707719_100011218421 [0,0,0,0,0,1|3,0,0]=4 1977 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)F 62a_100011218421_100000707719 [0,0,0,0,0,1|3,0,0]=4 1978 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)N 62a_100000684715_100000707719 [0,0,0,0,0,1|3,0,0]=4 1979 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)N 62a_100000707719_100000684715 [0,0,0,0,0,1|3,0,0]=4 1980 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)O 62a_100000686692_100000707719 [0,0,0,0,0,1|3,0,0]=4 1981 B16R2.25778 Cc1cccc(c1SCc2c[nH]cn2)O 62a_100000707719_100000686692 [0,0,0,0,0,1|3,0,0]=4 1982 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)Br 62a_100000728653_100010141302 [0,0,0,0,0,1|3,0,0]=4 1983 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)Br 62a_100010141302_100000728653 [0,0,0,0,0,1|3,0,0]=4 1984 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)C 62a_100000033847_100000728653 [0,0,0,0,0,1|2,0,0]=3 1985 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)C 62a_100000728653_100000033847 [0,0,0,0,0,1|2,0,0]=3 1986 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)Cl 62a_100000043165_100000728653 [0,0,0,0,0,1|3,0,0]=4 1987 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)Cl 62a_100000728653_100000043165 [0,0,0,0,0,1|3,0,0]=4 1988 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)F 62a_100000728653_100011218421 [0,0,0,0,0,1|3,0,0]=4 1989 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)F 62a_100011218421_100000728653 [0,0,0,0,0,1|3,0,0]=4 1990 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)N 62a_100000684715_100000728653 [0,0,0,0,0,1|3,0,0]=4 1991 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)N 62a_100000728653_100000684715 [0,0,0,0,0,1|3,0,0]=4 1992 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)O 62a_100000686692_100000728653 [0,0,0,0,0,1|3,0,0]=4 1993 B16R2.25778 Cc1cccc(c1SCc2ccn[nH]2)O 62a_100000728653_100000686692 [0,0,0,0,0,1|3,0,0]=4 1994 B16R2.25778 Cc1cccc(c1SCc2ccon2)Br 62a_100000234950_100010141302 [0,0,0,0,0,1|3,0,0]=4 1995 B16R2.25778 Cc1cccc(c1SCc2ccon2)Br 62a_100010141302_100000234950 [0,0,0,0,0,1|3,0,0]=4 1996 B16R2.25778 Cc1cccc(c1SCc2ccon2)C 62a_100000033847_100000234950 [0,0,0,0,0,1|2,0,0]=3 1997 B16R2.25778 Cc1cccc(c1SCc2ccon2)C 62a_100000234950_100000033847 [0,0,0,0,0,1|2,0,0]=3 1998 B16R2.25778 Cc1cccc(c1SCc2ccon2)Cl 62a_100000043165_100000234950 [0,0,0,0,0,1|3,0,0]=4 1999 B16R2.25778 Cc1cccc(c1SCc2ccon2)Cl 62a_100000234950_100000043165 [0,0,0,0,0,1|3,0,0]=4 2000 B16R2.25778 Cc1cccc(c1SCc2ccon2)F 62a_100000234950_100011218421 [0,0,0,0,0,1|3,0,0]=4 2001 B16R2.25778 Cc1cccc(c1SCc2ccon2)F 62a_100011218421_100000234950 [0,0,0,0,0,1|3,0,0]=4 2002 B16R2.25778 Cc1cccc(c1SCc2ccon2)N 62a_100000234950_100000684715 [0,0,0,0,0,1|3,0,0]=4 2003 B16R2.25778 Cc1cccc(c1SCc2ccon2)N 62a_100000684715_100000234950 [0,0,0,0,0,1|3,0,0]=4 2004 B16R2.25778 Cc1cccc(c1SCc2ccon2)O 62a_100000234950_100000686692 [0,0,0,0,0,1|3,0,0]=4 2005 B16R2.25778 Cc1cccc(c1SCc2ccon2)O 62a_100000686692_100000234950 [0,0,0,0,0,1|3,0,0]=4 2006 B16R2.25778 Cc1cccc(c1SCc2ccsc2)C 62a_100000033847_100011233845 [0,0,0,0,0,1|3,0,0]=4 2007 B16R2.25778 Cc1cccc(c1SCc2ccsc2)C 62a_100011261437_100000033847 [0,0,0,0,0,1|3,0,0]=4 2008 B16R2.25778 Cc1cccc(c1SCc2cncs2)C 62a_100000033847_100015185245 [0,0,0,0,0,1|3,0,0]=4 2009 B16R2.25778 Cc1cccc(c1SCc2cncs2)C 62a_100015185245_100000033847 [0,0,0,0,0,1|3,0,0]=4 2010 B16R2.25778 Cc1cccc(c1SCc2cscn2)Br 62a_100000205941_100010141302 [0,0,0,0,0,1|3,0,0]=4 2011 B16R2.25778 Cc1cccc(c1SCc2cscn2)Br 62a_100010141302_100000205941 [0,0,0,0,0,1|3,0,0]=4 2012 B16R2.25778 Cc1cccc(c1SCc2cscn2)C 62a_100000033847_100000205941 [0,0,0,0,0,1|2,0,0]=3 2013 B16R2.25778 Cc1cccc(c1SCc2cscn2)C 62a_100000205941_100000033847 [0,0,0,0,0,1|2,0,0]=3 2014 B16R2.25778 Cc1cccc(c1SCc2cscn2)Cl 62a_100000043165_100000205941 [0,0,0,0,0,1|3,0,0]=4 2015 B16R2.25778 Cc1cccc(c1SCc2cscn2)Cl 62a_100000205941_100000043165 [0,0,0,0,0,1|3,0,0]=4 2016 B16R2.25778 Cc1cccc(c1SCc2cscn2)F 62a_100000205941_100011218421 [0,0,0,0,0,1|3,0,0]=4 2017 B16R2.25778 Cc1cccc(c1SCc2cscn2)F 62a_100011218421_100000205941 [0,0,0,0,0,1|3,0,0]=4 2018 B16R2.25778 Cc1cccc(c1SCc2cscn2)N 62a_100000205941_100000684715 [0,0,0,0,0,1|3,0,0]=4 2019 B16R2.25778 Cc1cccc(c1SCc2cscn2)N 62a_100000684715_100000205941 [0,0,0,0,0,1|3,0,0]=4 2020 B16R2.25778 Cc1cccc(c1SCc2cscn2)O 62a_100000205941_100000686692 [0,0,0,0,0,1|3,0,0]=4 2021 B16R2.25778 Cc1cccc(c1SCc2cscn2)O 62a_100000686692_100000205941 [0,0,0,0,0,1|3,0,0]=4 2022 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100010141302_100016991755 [0,0,0,0,0,1|1,0,0]=2 2023 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010141302 [0,0,0,0,0,1|1,0,0]=2 2024 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)C 62a_100000033847_100016991755 [0,0,0,0,0,1|0,0,0]=1 2025 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100000033847 [0,0,0,0,0,1|0,0,0]=1 2026 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000043165_100016991755 [0,0,0,0,0,1|1,0,0]=2 2027 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000043165 [0,0,0,0,0,1|1,0,0]=2 2028 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)F 62a_100011218421_100016991755 [0,0,0,0,0,1|1,0,0]=2 2029 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100011218421 [0,0,0,0,0,1|1,0,0]=2 2030 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)N 62a_100000684715_100016991755 [0,0,0,0,0,1|1,0,0]=2 2031 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)N 62a_100016991755_100000684715 [0,0,0,0,0,1|1,0,0]=2 2032 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)O 62a_100000686692_100016991755 [0,0,0,0,0,1|1,0,0]=2 2033 B16R2.25778 Cc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100000686692 [0,0,0,0,0,1|1,0,0]=2 2034 B16R2.25778 Cc1cccc(c1SCc2ncco2)Br 62a_100010141302_103436540062 [0,0,0,0,0,1|2,0,0]=3 2035 B16R2.25778 Cc1cccc(c1SCc2ncco2)Br 62a_103436540062_100010141302 [0,0,0,0,0,1|2,0,0]=3 2036 B16R2.25778 Cc1cccc(c1SCc2ncco2)C 62a_100000033847_103436540062 [0,0,0,0,0,1|1,0,0]=2 2037 B16R2.25778 Cc1cccc(c1SCc2ncco2)C 62a_103436540062_100000033847 [0,0,0,0,0,1|1,0,0]=2 2038 B16R2.25778 Cc1cccc(c1SCc2ncco2)Cl 62a_100000043165_103436540062 [0,0,0,0,0,1|2,0,0]=3 2039 B16R2.25778 Cc1cccc(c1SCc2ncco2)Cl 62a_103436540062_100000043165 [0,0,0,0,0,1|2,0,0]=3 2040 B16R2.25778 Cc1cccc(c1SCc2ncco2)F 62a_100011218421_103436540062 [0,0,0,0,0,1|2,0,0]=3 2041 B16R2.25778 Cc1cccc(c1SCc2ncco2)F 62a_103436540062_100011218421 [0,0,0,0,0,1|2,0,0]=3 2042 B16R2.25778 Cc1cccc(c1SCc2ncco2)N 62a_100000684715_103436540062 [0,0,0,0,0,1|2,0,0]=3 2043 B16R2.25778 Cc1cccc(c1SCc2ncco2)N 62a_103436540062_100000684715 [0,0,0,0,0,1|2,0,0]=3 2044 B16R2.25778 Cc1cccc(c1SCc2ncco2)O 62a_100000686692_103436540062 [0,0,0,0,0,1|2,0,0]=3 2045 B16R2.25778 Cc1cccc(c1SCc2ncco2)O 62a_103436540062_100000686692 [0,0,0,0,0,1|2,0,0]=3 2046 B16R2.25778 Cc1cccc(c1SCc2nccs2)Br 62a_100010141302_100015184050 [0,0,0,0,0,1|2,0,0]=3 2047 B16R2.25778 Cc1cccc(c1SCc2nccs2)Br 62a_100015184050_100010141302 [0,0,0,0,0,1|2,0,0]=3 2048 B16R2.25778 Cc1cccc(c1SCc2nccs2)C 62a_100000033847_100015184050 [0,0,0,0,0,1|1,0,0]=2 2049 B16R2.25778 Cc1cccc(c1SCc2nccs2)C 62a_100015184050_100000033847 [0,0,0,0,0,1|1,0,0]=2 2050 B16R2.25778 Cc1cccc(c1SCc2nccs2)Cl 62a_100000043165_100015184050 [0,0,0,0,0,1|2,0,0]=3 2051 B16R2.25778 Cc1cccc(c1SCc2nccs2)Cl 62a_100015184050_100000043165 [0,0,0,0,0,1|2,0,0]=3 2052 B16R2.25778 Cc1cccc(c1SCc2nccs2)F 62a_100011218421_100015184050 [0,0,0,0,0,1|2,0,0]=3 2053 B16R2.25778 Cc1cccc(c1SCc2nccs2)F 62a_100015184050_100011218421 [0,0,0,0,0,1|2,0,0]=3 2054 B16R2.25778 Cc1cccc(c1SCc2nccs2)N 62a_100000684715_100015184050 [0,0,0,0,0,1|2,0,0]=3 2055 B16R2.25778 Cc1cccc(c1SCc2nccs2)N 62a_100015184050_100000684715 [0,0,0,0,0,1|2,0,0]=3 2056 B16R2.25778 Cc1cccc(c1SCc2nccs2)O 62a_100000686692_100015184050 [0,0,0,0,0,1|2,0,0]=3 2057 B16R2.25778 Cc1cccc(c1SCc2nccs2)O 62a_100015184050_100000686692 [0,0,0,0,0,1|2,0,0]=3 2058 B16R2.25778 Cc1cccc(c1SCc2ncon2)Br 62a_100000233494_100010141302 [0,0,0,0,0,1|2,0,1]=4 2059 B16R2.25778 Cc1cccc(c1SCc2ncon2)Br 62a_100010141302_100000233494 [0,0,0,0,0,1|2,0,1]=4 2060 B16R2.25778 Cc1cccc(c1SCc2ncon2)C 62a_100000033847_100000233494 [0,0,0,0,0,1|1,0,1]=3 2061 B16R2.25778 Cc1cccc(c1SCc2ncon2)C 62a_100000233494_100000033847 [0,0,0,0,0,1|1,0,1]=3 2062 B16R2.25778 Cc1cccc(c1SCc2ncon2)Cl 62a_100000043165_100000233494 [0,0,0,0,0,1|2,0,1]=4 2063 B16R2.25778 Cc1cccc(c1SCc2ncon2)Cl 62a_100000233494_100000043165 [0,0,0,0,0,1|2,0,1]=4 2064 B16R2.25778 Cc1cccc(c1SCc2ncon2)F 62a_100000233494_100011218421 [0,0,0,0,0,1|2,0,1]=4 2065 B16R2.25778 Cc1cccc(c1SCc2ncon2)F 62a_100011218421_100000233494 [0,0,0,0,0,1|2,0,1]=4 2066 B16R2.25778 Cc1cccc(c1SCc2ncon2)N 62a_100000233494_100000684715 [0,0,0,0,0,1|2,0,1]=4 2067 B16R2.25778 Cc1cccc(c1SCc2ncon2)N 62a_100000684715_100000233494 [0,0,0,0,0,1|2,0,1]=4 2068 B16R2.25778 Cc1cccc(c1SCc2ncon2)O 62a_100000233494_100000686692 [0,0,0,0,0,1|2,0,1]=4 2069 B16R2.25778 Cc1cccc(c1SCc2ncon2)O 62a_100000686692_100000233494 [0,0,0,0,0,1|2,0,1]=4 2070 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Br 62a_100000765167_100010141302 [0,0,0,0,0,1|3,0,0]=4 2071 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Br 62a_100010141302_100000765167 [0,0,0,0,0,1|3,0,0]=4 2072 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)C 62a_100000033847_100000765167 [0,0,0,0,0,1|2,0,0]=3 2073 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100000033847 [0,0,0,0,0,1|2,0,0]=3 2074 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000043165_100000765167 [0,0,0,0,0,1|3,0,0]=4 2075 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000765167_100000043165 [0,0,0,0,0,1|3,0,0]=4 2076 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)F 62a_100000765167_100011218421 [0,0,0,0,0,1|3,0,0]=4 2077 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)F 62a_100011218421_100000765167 [0,0,0,0,0,1|3,0,0]=4 2078 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)N 62a_100000684715_100000765167 [0,0,0,0,0,1|3,0,0]=4 2079 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)N 62a_100000765167_100000684715 [0,0,0,0,0,1|3,0,0]=4 2080 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)O 62a_100000686692_100000765167 [0,0,0,0,0,1|3,0,0]=4 2081 B16R2.25778 Cc1cccc(c1SCc2nnn[nH]2)O 62a_100000765167_100000686692 [0,0,0,0,0,1|3,0,0]=4 2082 B16R2.25778 Cc1cccc(c1SCn2cncn2)C 62a_100000033847_200020645497 [0,0,0,0,0,1|3,0,0]=4 2083 B16R2.25778 Cc1cccc(c1SCn2cncn2)C 62a_200020645497_100000033847 [0,0,0,0,0,1|3,0,0]=4 2084 B16R2.25778 Cc1ccnc(c1NCc2ncc[nH]2)F 27a_100000754540_100009818256 [0,0,0,0,0,1|2,0,0]=3 2085 B16R2.25778 Cc1ccnc(c1NCc2ncco2)F 27a_100016994969_100009818256 [0,0,0,0,0,1|3,0,0]=4 2086 B16R2.25778 Cc1ccnc(c1NCc2nccs2)F 27a_100000740555_100009818256 [0,0,0,0,0,1|3,0,0]=4 2087 B16R2.25778 Cc1ccnc(c1NCc2nnc[nH]2)F 27a_200015183720_100009818256 [0,0,0,0,0,1|3,0,0]=4 2088 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 34a_100011934651_100000737910 [0,0,0,0,0,1|1,0,2]=4 2089 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)C 7a_100011934651_100000737910 [0,0,0,0,0,1|1,0,2]=4 2090 B16R2.25778 Cc1ccnc(c1OCc2c[nH]cn2)C 34a_100011934651_100000707719 [0,0,0,0,0,1|3,0,0]=4 2091 B16R2.25778 Cc1ccnc(c1OCc2ccn[nH]2)C 34a_100011934651_100000728653 [0,0,0,0,0,1|3,0,0]=4 2092 B16R2.25778 Cc1ccnc(c1OCc2ccn[nH]2)C 7a_100011934651_100000728653 [0,0,0,0,0,1|3,0,0]=4 2093 B16R2.25778 Cc1ccnc(c1OCc2ccon2)C 34a_100011934651_100000234950 [0,0,0,0,0,1|3,0,0]=4 2094 B16R2.25778 Cc1ccnc(c1OCc2ccon2)C 7a_100011934651_100000234950 [0,0,0,0,0,1|3,0,0]=4 2095 B16R2.25778 Cc1ccnc(c1OCc2cscn2)C 34a_100011934651_100000205941 [0,0,0,0,0,1|3,0,0]=4 2096 B16R2.25778 Cc1ccnc(c1OCc2cscn2)C 7a_100011934651_100000205941 [0,0,0,0,0,1|3,0,0]=4 2097 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)C 34a_100011934651_100016991755 [0,0,0,0,0,1|1,0,0]=2 2098 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)C 7a_100011934651_100000753453 [0,0,0,0,0,1|1,0,0]=2 2099 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)Cl 34a_100000696282_100016991755 [0,0,0,0,0,1|2,0,0]=3 2100 B16R2.25778 Cc1ccnc(c1OCc2ncc[nH]2)Cl 7a_100000696282_100000753453 [0,0,0,0,0,1|2,0,0]=3 2101 B16R2.25778 Cc1ccnc(c1OCc2ncco2)C 34a_100011934651_103436540062 [0,0,0,0,0,1|2,0,0]=3 2102 B16R2.25778 Cc1ccnc(c1OCc2ncco2)C 7a_100011934651_103436540062 [0,0,0,0,0,1|2,0,0]=3 2103 B16R2.25778 Cc1ccnc(c1OCc2ncco2)Cl 34a_100000696282_103436540062 [0,0,0,0,0,1|3,0,0]=4 2104 B16R2.25778 Cc1ccnc(c1OCc2ncco2)Cl 7a_100000696282_103436540062 [0,0,0,0,0,1|3,0,0]=4 2105 B16R2.25778 Cc1ccnc(c1OCc2nccs2)C 34a_100011934651_100015184050 [0,0,0,0,0,1|2,0,0]=3 2106 B16R2.25778 Cc1ccnc(c1OCc2nccs2)C 7a_100011934651_100015184050 [0,0,0,0,0,1|2,0,0]=3 2107 B16R2.25778 Cc1ccnc(c1OCc2nccs2)Cl 34a_100000696282_100015184050 [0,0,0,0,0,1|3,0,0]=4 2108 B16R2.25778 Cc1ccnc(c1OCc2nccs2)Cl 7a_100000696282_100015184050 [0,0,0,0,0,1|3,0,0]=4 2109 B16R2.25778 Cc1ccnc(c1OCc2ncon2)C 34a_100011934651_100000233494 [0,0,0,0,0,1|2,0,1]=4 2110 B16R2.25778 Cc1ccnc(c1OCc2nnn[nH]2)C 34a_100011934651_100000765167 [0,0,0,0,0,1|3,0,0]=4 2111 B16R2.25778 Cc1ccnc(c1OCc2nnn[nH]2)C 7a_100011934651_100000765167 [0,0,0,0,0,1|3,0,0]=4 2112 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)C 62a_100000737910_100012000501 [0,0,0,0,0,1|1,0,2]=4 2113 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)C 62a_100012000501_100000737910 [0,0,0,0,0,1|1,0,2]=4 2114 B16R2.25778 Cc1ccnc(c1SCc2c[nH]cn2)C 62a_100000707719_100012000501 [0,0,0,0,0,1|3,0,0]=4 2115 B16R2.25778 Cc1ccnc(c1SCc2c[nH]cn2)C 62a_100012000501_100000707719 [0,0,0,0,0,1|3,0,0]=4 2116 B16R2.25778 Cc1ccnc(c1SCc2ccn[nH]2)C 62a_100000728653_100012000501 [0,0,0,0,0,1|3,0,0]=4 2117 B16R2.25778 Cc1ccnc(c1SCc2ccn[nH]2)C 62a_100012000501_100000728653 [0,0,0,0,0,1|3,0,0]=4 2118 B16R2.25778 Cc1ccnc(c1SCc2ccon2)C 62a_100000234950_100012000501 [0,0,0,0,0,1|3,0,0]=4 2119 B16R2.25778 Cc1ccnc(c1SCc2ccon2)C 62a_100012000501_100000234950 [0,0,0,0,0,1|3,0,0]=4 2120 B16R2.25778 Cc1ccnc(c1SCc2cscn2)C 62a_100000205941_100012000501 [0,0,0,0,0,1|3,0,0]=4 2121 B16R2.25778 Cc1ccnc(c1SCc2cscn2)C 62a_100012000501_100000205941 [0,0,0,0,0,1|3,0,0]=4 2122 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)C 62a_100012000501_100016991755 [0,0,0,0,0,1|1,0,0]=2 2123 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)C 62a_100016991755_100012000501 [0,0,0,0,0,1|1,0,0]=2 2124 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100010248874_100016991755 [0,0,0,0,0,1|2,0,0]=3 2125 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100010248874 [0,0,0,0,0,1|2,0,0]=3 2126 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)F 62a_100009818256_100016991755 [0,0,0,0,0,1|2,0,0]=3 2127 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)F 62a_100016991755_100009818256 [0,0,0,0,0,1|2,0,0]=3 2128 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)N 62a_100011998619_100016991755 [0,0,0,0,0,1|2,0,0]=3 2129 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)N 62a_100016991755_100011998619 [0,0,0,0,0,1|2,0,0]=3 2130 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)O 62a_100012000493_100016991755 [0,0,0,0,0,1|2,0,0]=3 2131 B16R2.25778 Cc1ccnc(c1SCc2ncc[nH]2)O 62a_100016991755_100012000493 [0,0,0,0,0,1|2,0,0]=3 2132 B16R2.25778 Cc1ccnc(c1SCc2ncco2)C 62a_100012000501_103436540062 [0,0,0,0,0,1|2,0,0]=3 2133 B16R2.25778 Cc1ccnc(c1SCc2ncco2)C 62a_103436540062_100012000501 [0,0,0,0,0,1|2,0,0]=3 2134 B16R2.25778 Cc1ccnc(c1SCc2ncco2)Cl 62a_100010248874_103436540062 [0,0,0,0,0,1|3,0,0]=4 2135 B16R2.25778 Cc1ccnc(c1SCc2ncco2)Cl 62a_103436540062_100010248874 [0,0,0,0,0,1|3,0,0]=4 2136 B16R2.25778 Cc1ccnc(c1SCc2ncco2)F 62a_100009818256_103436540062 [0,0,0,0,0,1|3,0,0]=4 2137 B16R2.25778 Cc1ccnc(c1SCc2ncco2)F 62a_103436540062_100009818256 [0,0,0,0,0,1|3,0,0]=4 2138 B16R2.25778 Cc1ccnc(c1SCc2ncco2)N 62a_100011998619_103436540062 [0,0,0,0,0,1|3,0,0]=4 2139 B16R2.25778 Cc1ccnc(c1SCc2ncco2)N 62a_103436540062_100011998619 [0,0,0,0,0,1|3,0,0]=4 2140 B16R2.25778 Cc1ccnc(c1SCc2ncco2)O 62a_100012000493_103436540062 [0,0,0,0,0,1|3,0,0]=4 2141 B16R2.25778 Cc1ccnc(c1SCc2ncco2)O 62a_103436540062_100012000493 [0,0,0,0,0,1|3,0,0]=4 2142 B16R2.25778 Cc1ccnc(c1SCc2nccs2)C 62a_100012000501_100015184050 [0,0,0,0,0,1|2,0,0]=3 2143 B16R2.25778 Cc1ccnc(c1SCc2nccs2)C 62a_100015184050_100012000501 [0,0,0,0,0,1|2,0,0]=3 2144 B16R2.25778 Cc1ccnc(c1SCc2nccs2)Cl 62a_100010248874_100015184050 [0,0,0,0,0,1|3,0,0]=4 2145 B16R2.25778 Cc1ccnc(c1SCc2nccs2)Cl 62a_100015184050_100010248874 [0,0,0,0,0,1|3,0,0]=4 2146 B16R2.25778 Cc1ccnc(c1SCc2nccs2)F 62a_100009818256_100015184050 [0,0,0,0,0,1|3,0,0]=4 2147 B16R2.25778 Cc1ccnc(c1SCc2nccs2)F 62a_100015184050_100009818256 [0,0,0,0,0,1|3,0,0]=4 2148 B16R2.25778 Cc1ccnc(c1SCc2nccs2)N 62a_100011998619_100015184050 [0,0,0,0,0,1|3,0,0]=4 2149 B16R2.25778 Cc1ccnc(c1SCc2nccs2)N 62a_100015184050_100011998619 [0,0,0,0,0,1|3,0,0]=4 2150 B16R2.25778 Cc1ccnc(c1SCc2nccs2)O 62a_100012000493_100015184050 [0,0,0,0,0,1|3,0,0]=4 2151 B16R2.25778 Cc1ccnc(c1SCc2nccs2)O 62a_100015184050_100012000493 [0,0,0,0,0,1|3,0,0]=4 2152 B16R2.25778 Cc1ccnc(c1SCc2ncon2)C 62a_100000233494_100012000501 [0,0,0,0,0,1|2,0,1]=4 2153 B16R2.25778 Cc1ccnc(c1SCc2ncon2)C 62a_100012000501_100000233494 [0,0,0,0,0,1|2,0,1]=4 2154 B16R2.25778 Cc1ccnc(c1SCc2nnn[nH]2)C 62a_100000765167_100012000501 [0,0,0,0,0,1|3,0,0]=4 2155 B16R2.25778 Cc1ccnc(c1SCc2nnn[nH]2)C 62a_100012000501_100000765167 [0,0,0,0,0,1|3,0,0]=4 2156 B16R2.25778 Cc1cncc(c1SCC2=NCCN2)C 62a_100000737910_100009817138 [0,0,0,0,0,1|1,0,2]=4 2157 B16R2.25778 Cc1cncc(c1SCC2=NCCN2)C 62a_100009817138_100000737910 [0,0,0,0,0,1|1,0,2]=4 2158 B16R2.25778 Cc1cncc(c1SCc2c[nH]cn2)C 62a_100000707719_100009817138 [0,0,0,0,0,1|3,0,0]=4 2159 B16R2.25778 Cc1cncc(c1SCc2c[nH]cn2)C 62a_100009817138_100000707719 [0,0,0,0,0,1|3,0,0]=4 2160 B16R2.25778 Cc1cncc(c1SCc2ccn[nH]2)C 62a_100000728653_100009817138 [0,0,0,0,0,1|3,0,0]=4 2161 B16R2.25778 Cc1cncc(c1SCc2ccn[nH]2)C 62a_100009817138_100000728653 [0,0,0,0,0,1|3,0,0]=4 2162 B16R2.25778 Cc1cncc(c1SCc2ccon2)C 62a_100000234950_100009817138 [0,0,0,0,0,1|3,0,0]=4 2163 B16R2.25778 Cc1cncc(c1SCc2ccon2)C 62a_100009817138_100000234950 [0,0,0,0,0,1|3,0,0]=4 2164 B16R2.25778 Cc1cncc(c1SCc2cscn2)C 62a_100000205941_100009817138 [0,0,0,0,0,1|3,0,0]=4 2165 B16R2.25778 Cc1cncc(c1SCc2cscn2)C 62a_100009817138_100000205941 [0,0,0,0,0,1|3,0,0]=4 2166 B16R2.25778 Cc1cncc(c1SCc2ncc[nH]2)C 62a_100009817138_100016991755 [0,0,0,0,0,1|1,0,0]=2 2167 B16R2.25778 Cc1cncc(c1SCc2ncc[nH]2)C 62a_100016991755_100009817138 [0,0,0,0,0,1|1,0,0]=2 2168 B16R2.25778 Cc1cncc(c1SCc2ncco2)C 62a_100009817138_103436540062 [0,0,0,0,0,1|2,0,0]=3 2169 B16R2.25778 Cc1cncc(c1SCc2ncco2)C 62a_103436540062_100009817138 [0,0,0,0,0,1|2,0,0]=3 2170 B16R2.25778 Cc1cncc(c1SCc2nccs2)C 62a_100009817138_100015184050 [0,0,0,0,0,1|2,0,0]=3 2171 B16R2.25778 Cc1cncc(c1SCc2nccs2)C 62a_100015184050_100009817138 [0,0,0,0,0,1|2,0,0]=3 2172 B16R2.25778 Cc1cncc(c1SCc2ncon2)C 62a_100000233494_100009817138 [0,0,0,0,0,1|2,0,1]=4 2173 B16R2.25778 Cc1cncc(c1SCc2ncon2)C 62a_100009817138_100000233494 [0,0,0,0,0,1|2,0,1]=4 2174 B16R2.25778 Cc1cncc(c1SCc2nnn[nH]2)C 62a_100000765167_100009817138 [0,0,0,0,0,1|3,0,0]=4 2175 B16R2.25778 Cc1cncc(c1SCc2nnn[nH]2)C 62a_100009817138_100000765167 [0,0,0,0,0,1|3,0,0]=4 2176 B16R2.25778 Cc1nc[nH]c(=O)c1SCc2ncc[nH]2 62a_100011356812_100016991755 [0,0,0,0,0,1|3,0,0]=4 2177 B16R2.25778 Cc1nc[nH]c(=O)c1SCc2ncc[nH]2 62a_100016991755_100011356812 [0,0,0,0,0,1|3,0,0]=4 2178 B16R2.25778 Cc1nccc(c1SCc2ncc[nH]2)N 62a_100010243816_100016991755 [0,0,0,0,0,1|2,0,0]=3 2179 B16R2.25778 Cc1nccc(c1SCc2ncc[nH]2)N 62a_100016991755_100010243816 [0,0,0,0,0,1|2,0,0]=3 2180 B16R2.25778 Cc1nccc(c1SCc2ncco2)N 62a_100010243816_103436540062 [0,0,0,0,0,1|3,0,0]=4 2181 B16R2.25778 Cc1nccc(c1SCc2ncco2)N 62a_103436540062_100010243816 [0,0,0,0,0,1|3,0,0]=4 2182 B16R2.25778 Cc1nccc(c1SCc2nccs2)N 62a_100010243816_100015184050 [0,0,0,0,0,1|3,0,0]=4 2183 B16R2.25778 Cc1nccc(c1SCc2nccs2)N 62a_100015184050_100010243816 [0,0,0,0,0,1|3,0,0]=4 2184 B16R2.25778 Cc1ncnc(c1NCc2ncc[nH]2)C 27a_100000754540_100009820708 [0,0,0,0,0,1|2,0,0]=3 2185 B16R2.25778 Cc1ncnc(c1NCc2ncco2)C 27a_100016994969_100009820708 [0,0,0,0,0,1|3,0,0]=4 2186 B16R2.25778 Cc1ncnc(c1NCc2nccs2)C 27a_100000740555_100009820708 [0,0,0,0,0,1|3,0,0]=4 2187 B16R2.25778 Cc1ncnc(c1NCc2nnc[nH]2)C 27a_200015183720_100009820708 [0,0,0,0,0,1|3,0,0]=4 2188 B16R2.25778 Cc1ncnc(c1OCc2ncc[nH]2)C 34a_100009878406_100016991755 [0,0,0,0,0,1|2,0,0]=3 2189 B16R2.25778 Cc1ncnc(c1OCc2ncc[nH]2)C 7a_100009878406_100000753453 [0,0,0,0,0,1|2,0,0]=3 2190 B16R2.25778 Cc1ncnc(c1OCc2ncco2)C 34a_100009878406_103436540062 [0,0,0,0,0,1|3,0,0]=4 2191 B16R2.25778 Cc1ncnc(c1OCc2ncco2)C 7a_100009878406_103436540062 [0,0,0,0,0,1|3,0,0]=4 2192 B16R2.25778 Cc1ncnc(c1OCc2nccs2)C 34a_100009878406_100015184050 [0,0,0,0,0,1|3,0,0]=4 2193 B16R2.25778 Cc1ncnc(c1OCc2nccs2)C 7a_100009878406_100015184050 [0,0,0,0,0,1|3,0,0]=4 2194 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)C 62a_100009820708_100016991755 [0,0,0,0,0,1|2,0,0]=3 2195 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)C 62a_100016991755_100009820708 [0,0,0,0,0,1|2,0,0]=3 2196 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)Cl 62a_100012356128_100016991755 [0,0,0,0,0,1|3,0,0]=4 2197 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100012356128 [0,0,0,0,0,1|3,0,0]=4 2198 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)N 62a_100011996190_100016991755 [0,0,0,0,0,1|3,0,0]=4 2199 B16R2.25778 Cc1ncnc(c1SCc2ncc[nH]2)N 62a_100016991755_100011996190 [0,0,0,0,0,1|3,0,0]=4 2200 B16R2.25778 Cc1ncnc(c1SCc2ncco2)C 62a_100009820708_103436540062 [0,0,0,0,0,1|3,0,0]=4 2201 B16R2.25778 Cc1ncnc(c1SCc2ncco2)C 62a_103436540062_100009820708 [0,0,0,0,0,1|3,0,0]=4 2202 B16R2.25778 Cc1ncnc(c1SCc2nccs2)C 62a_100009820708_100015184050 [0,0,0,0,0,1|3,0,0]=4 2203 B16R2.25778 Cc1ncnc(c1SCc2nccs2)C 62a_100015184050_100009820708 [0,0,0,0,0,1|3,0,0]=4 2204 B16R2.25778 Cc1occc(=O)c1OCc2ncc[nH]2 34a_100000031901_100016991755 [0,0,0,0,0,1|2,0,0]=3 2205 B16R2.25778 Cc1occc(=O)c1OCc2ncco2 34a_100000031901_103436540062 [0,0,0,0,0,1|3,0,0]=4 2206 B16R2.25778 Cc1occc(=O)c1OCc2nccs2 34a_100000031901_100015184050 [0,0,0,0,0,1|3,0,0]=4 2207 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Br 62a_100010138402_100025796157 [0,0,0,0,0,1|2,0,0]=3 2208 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Br 62a_100025796157_100010138402 [0,0,0,0,0,1|2,0,0]=3 2209 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Cl 62a_100000187851_100025796157 [0,0,0,0,0,1|2,0,0]=3 2210 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100000187851 [0,0,0,0,0,1|2,0,0]=3 2211 B16R2.25778 Clc1cccc(c1CSc2ncco2)Br 62a_100010138402_100011787736 [0,0,0,0,0,1|3,0,0]=4 2212 B16R2.25778 Clc1cccc(c1CSc2ncco2)Br 62a_100011787736_100010138402 [0,0,0,0,0,1|3,0,0]=4 2213 B16R2.25778 Clc1cccc(c1CSc2ncco2)Cl 62a_100000187851_100011787736 [0,0,0,0,0,1|3,0,0]=4 2214 B16R2.25778 Clc1cccc(c1CSc2ncco2)Cl 62a_100011787736_100000187851 [0,0,0,0,0,1|3,0,0]=4 2215 B16R2.25778 Clc1cccc(c1CSc2nccs2)Br 62a_100000211983_100010138402 [0,0,0,0,0,1|3,0,0]=4 2216 B16R2.25778 Clc1cccc(c1CSc2nccs2)Br 62a_100010138402_100000211983 [0,0,0,0,0,1|3,0,0]=4 2217 B16R2.25778 Clc1cccc(c1CSc2nccs2)Cl 62a_100000187851_100000211983 [0,0,0,0,0,1|3,0,0]=4 2218 B16R2.25778 Clc1cccc(c1CSc2nccs2)Cl 62a_100000211983_100000187851 [0,0,0,0,0,1|3,0,0]=4 2219 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Br 34a_100102946385_100016991755 [0,0,0,0,0,1|2,0,0]=3 2220 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000210028_100016991755 [0,0,0,0,0,1|2,0,0]=3 2221 B16R2.25778 Clc1cccc(c1NCc2ncco2)Br 34a_100102946385_103436540062 [0,0,0,0,0,1|3,0,0]=4 2222 B16R2.25778 Clc1cccc(c1NCc2ncco2)Cl 34a_100000210028_103436540062 [0,0,0,0,0,1|3,0,0]=4 2223 B16R2.25778 Clc1cccc(c1NCc2nccs2)Br 34a_100102946385_100015184050 [0,0,0,0,0,1|3,0,0]=4 2224 B16R2.25778 Clc1cccc(c1NCc2nccs2)Cl 34a_100000210028_100015184050 [0,0,0,0,0,1|3,0,0]=4 2225 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Br 34a_100010214474_100016991755 [0,0,0,0,0,1|2,0,0]=3 2226 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Br 7a_100010214474_100000753453 [0,0,0,0,0,1|2,0,0]=3 2227 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000211709_100016991755 [0,0,0,0,0,1|2,0,0]=3 2228 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000211709_100000753453 [0,0,0,0,0,1|2,0,0]=3 2229 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)I 34a_100010202889_100016991755 [0,0,0,0,0,1|2,0,0]=3 2230 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)I 7a_100010202889_100000753453 [0,0,0,0,0,1|2,0,0]=3 2231 B16R2.25778 Clc1cccc(c1OCc2ncco2)Br 34a_100010214474_103436540062 [0,0,0,0,0,1|3,0,0]=4 2232 B16R2.25778 Clc1cccc(c1OCc2ncco2)Br 7a_100010214474_103436540062 [0,0,0,0,0,1|3,0,0]=4 2233 B16R2.25778 Clc1cccc(c1OCc2ncco2)Cl 34a_100000211709_103436540062 [0,0,0,0,0,1|3,0,0]=4 2234 B16R2.25778 Clc1cccc(c1OCc2ncco2)Cl 7a_100000211709_103436540062 [0,0,0,0,0,1|3,0,0]=4 2235 B16R2.25778 Clc1cccc(c1OCc2ncco2)I 34a_100010202889_103436540062 [0,0,0,0,0,1|3,0,0]=4 2236 B16R2.25778 Clc1cccc(c1OCc2ncco2)I 7a_100010202889_103436540062 [0,0,0,0,0,1|3,0,0]=4 2237 B16R2.25778 Clc1cccc(c1OCc2nccs2)Br 34a_100010214474_100015184050 [0,0,0,0,0,1|3,0,0]=4 2238 B16R2.25778 Clc1cccc(c1OCc2nccs2)Br 7a_100010214474_100015184050 [0,0,0,0,0,1|3,0,0]=4 2239 B16R2.25778 Clc1cccc(c1OCc2nccs2)Cl 34a_100000211709_100015184050 [0,0,0,0,0,1|3,0,0]=4 2240 B16R2.25778 Clc1cccc(c1OCc2nccs2)Cl 7a_100000211709_100015184050 [0,0,0,0,0,1|3,0,0]=4 2241 B16R2.25778 Clc1cccc(c1OCc2nccs2)I 34a_100010202889_100015184050 [0,0,0,0,0,1|3,0,0]=4 2242 B16R2.25778 Clc1cccc(c1OCc2nccs2)I 7a_100010202889_100015184050 [0,0,0,0,0,1|3,0,0]=4 2243 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Br 62a_100010214488_100016991755 [0,0,0,0,0,1|2,0,0]=3 2244 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010214488 [0,0,0,0,0,1|2,0,0]=3 2245 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000034237_100016991755 [0,0,0,0,0,1|2,0,0]=3 2246 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000034237 [0,0,0,0,0,1|2,0,0]=3 2247 B16R2.25778 Clc1cccc(c1SCc2ncco2)Br 62a_100010214488_103436540062 [0,0,0,0,0,1|3,0,0]=4 2248 B16R2.25778 Clc1cccc(c1SCc2ncco2)Br 62a_103436540062_100010214488 [0,0,0,0,0,1|3,0,0]=4 2249 B16R2.25778 Clc1cccc(c1SCc2ncco2)Cl 62a_100000034237_103436540062 [0,0,0,0,0,1|3,0,0]=4 2250 B16R2.25778 Clc1cccc(c1SCc2ncco2)Cl 62a_103436540062_100000034237 [0,0,0,0,0,1|3,0,0]=4 2251 B16R2.25778 Clc1cccc(c1SCc2nccs2)Br 62a_100010214488_100015184050 [0,0,0,0,0,1|3,0,0]=4 2252 B16R2.25778 Clc1cccc(c1SCc2nccs2)Br 62a_100015184050_100010214488 [0,0,0,0,0,1|3,0,0]=4 2253 B16R2.25778 Clc1cccc(c1SCc2nccs2)Cl 62a_100000034237_100015184050 [0,0,0,0,0,1|3,0,0]=4 2254 B16R2.25778 Clc1cccc(c1SCc2nccs2)Cl 62a_100015184050_100000034237 [0,0,0,0,0,1|3,0,0]=4 2255 B16R2.25778 Clc1ccnc(c1OCc2ncc[nH]2)Cl 34a_100000118450_100016991755 [0,0,0,0,0,1|3,0,0]=4 2256 B16R2.25778 Clc1ccnc(c1OCc2ncc[nH]2)Cl 7a_100000118450_100000753453 [0,0,0,0,0,1|3,0,0]=4 2257 B16R2.25778 Clc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100000050019_100016991755 [0,0,0,0,0,1|3,0,0]=4 2258 B16R2.25778 Clc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000050019 [0,0,0,0,0,1|3,0,0]=4 2259 B16R2.25778 Clc1cncc(c1CSc2ncc[nH]2)Cl 62a_100025796157_200009872113 [0,0,0,0,0,1|3,0,0]=4 2260 B16R2.25778 Clc1cncc(c1CSc2ncc[nH]2)Cl 62a_200009872113_100025796157 [0,0,0,0,0,1|3,0,0]=4 2261 B16R2.25778 Clc1cncc(c1SCc2ncc[nH]2)Cl 62a_100000036193_100016991755 [0,0,0,0,0,1|3,0,0]=4 2262 B16R2.25778 Clc1cncc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000036193 [0,0,0,0,0,1|3,0,0]=4 2263 B16R2.25778 Clc1nccc(c1OCc2ncc[nH]2)I 34a_100010067911_100016991755 [0,0,0,0,0,1|3,0,0]=4 2264 B16R2.25778 Clc1nccc(c1OCc2ncc[nH]2)I 7a_100010067911_100000753453 [0,0,0,0,0,1|3,0,0]=4 2265 B16R2.25778 Clc1nccc(c1SCc2ncc[nH]2)Br 62a_100009814607_100016991755 [0,0,0,0,0,1|3,0,0]=4 2266 B16R2.25778 Clc1nccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100009814607 [0,0,0,0,0,1|3,0,0]=4 2267 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)Br 62a_100012145669_100025796157 [0,0,0,0,0,1|2,0,0]=3 2268 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)Br 62a_100025796157_100012145669 [0,0,0,0,0,1|2,0,0]=3 2269 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)Cl 62a_100000187852_100025796157 [0,0,0,0,0,1|2,0,0]=3 2270 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100000187852 [0,0,0,0,0,1|2,0,0]=3 2271 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)F 62a_100000709179_100025796157 [0,0,0,0,0,1|2,0,0]=3 2272 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100000698325 [0,0,0,0,0,1|2,0,0]=3 2273 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)I 62a_100010149602_100025796157 [0,0,0,0,0,1|2,0,0]=3 2274 B16R2.25778 Fc1cccc(c1CSc2ncc[nH]2)I 62a_100025796157_100010149602 [0,0,0,0,0,1|2,0,0]=3 2275 B16R2.25778 Fc1cccc(c1CSc2ncco2)Br 62a_100011787736_100012145669 [0,0,0,0,0,1|3,0,0]=4 2276 B16R2.25778 Fc1cccc(c1CSc2ncco2)Br 62a_100012145669_100011787736 [0,0,0,0,0,1|3,0,0]=4 2277 B16R2.25778 Fc1cccc(c1CSc2ncco2)Cl 62a_100000187852_100011787736 [0,0,0,0,0,1|3,0,0]=4 2278 B16R2.25778 Fc1cccc(c1CSc2ncco2)Cl 62a_100011787736_100000187852 [0,0,0,0,0,1|3,0,0]=4 2279 B16R2.25778 Fc1cccc(c1CSc2ncco2)F 62a_100000709179_100011787736 [0,0,0,0,0,1|3,0,0]=4 2280 B16R2.25778 Fc1cccc(c1CSc2ncco2)F 62a_100011787736_100000698325 [0,0,0,0,0,1|3,0,0]=4 2281 B16R2.25778 Fc1cccc(c1CSc2ncco2)I 62a_100010149602_100011787736 [0,0,0,0,0,1|3,0,0]=4 2282 B16R2.25778 Fc1cccc(c1CSc2ncco2)I 62a_100011787736_100010149602 [0,0,0,0,0,1|3,0,0]=4 2283 B16R2.25778 Fc1cccc(c1CSc2nccs2)Br 62a_100000211983_100012145669 [0,0,0,0,0,1|3,0,0]=4 2284 B16R2.25778 Fc1cccc(c1CSc2nccs2)Br 62a_100012145669_100000211983 [0,0,0,0,0,1|3,0,0]=4 2285 B16R2.25778 Fc1cccc(c1CSc2nccs2)Cl 62a_100000187852_100000211983 [0,0,0,0,0,1|3,0,0]=4 2286 B16R2.25778 Fc1cccc(c1CSc2nccs2)Cl 62a_100000211983_100000187852 [0,0,0,0,0,1|3,0,0]=4 2287 B16R2.25778 Fc1cccc(c1CSc2nccs2)F 62a_100000211983_100000698325 [0,0,0,0,0,1|3,0,0]=4 2288 B16R2.25778 Fc1cccc(c1CSc2nccs2)F 62a_100000709179_100000211983 [0,0,0,0,0,1|3,0,0]=4 2289 B16R2.25778 Fc1cccc(c1CSc2nccs2)I 62a_100000211983_100010149602 [0,0,0,0,0,1|3,0,0]=4 2290 B16R2.25778 Fc1cccc(c1CSc2nccs2)I 62a_100010149602_100000211983 [0,0,0,0,0,1|3,0,0]=4 2291 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)Br 34a_100000684712_100016991755 [0,0,0,0,0,1|2,0,0]=3 2292 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000760031_100016991755 [0,0,0,0,0,1|2,0,0]=3 2293 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)F 207a_100000210704_100000743867 [0,0,0,0,0,1|2,0,0]=3 2294 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)F 2230a_100000210704_100016991755 [0,0,0,0,0,1|2,0,0]=3 2295 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)F 34a_100000210704_100016991755 [0,0,0,0,0,1|2,0,0]=3 2296 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)I 34a_100000042321_100016991755 [0,0,0,0,0,1|2,0,0]=3 2297 B16R2.25778 Fc1cccc(c1NCc2ncco2)Br 34a_100000684712_103436540062 [0,0,0,0,0,1|3,0,0]=4 2298 B16R2.25778 Fc1cccc(c1NCc2ncco2)Cl 34a_100000760031_103436540062 [0,0,0,0,0,1|3,0,0]=4 2299 B16R2.25778 Fc1cccc(c1NCc2ncco2)F 2230a_100000210704_103436540062 [0,0,0,0,0,1|3,0,0]=4 2300 B16R2.25778 Fc1cccc(c1NCc2ncco2)F 34a_100000210704_103436540062 [0,0,0,0,0,1|3,0,0]=4 2301 B16R2.25778 Fc1cccc(c1NCc2ncco2)I 34a_100000042321_103436540062 [0,0,0,0,0,1|3,0,0]=4 2302 B16R2.25778 Fc1cccc(c1NCc2nccs2)Br 34a_100000684712_100015184050 [0,0,0,0,0,1|3,0,0]=4 2303 B16R2.25778 Fc1cccc(c1NCc2nccs2)Cl 34a_100000760031_100015184050 [0,0,0,0,0,1|3,0,0]=4 2304 B16R2.25778 Fc1cccc(c1NCc2nccs2)F 207a_100000210704_100000750902 [0,0,0,0,0,1|3,0,0]=4 2305 B16R2.25778 Fc1cccc(c1NCc2nccs2)F 2230a_100000210704_100015184050 [0,0,0,0,0,1|3,0,0]=4 2306 B16R2.25778 Fc1cccc(c1NCc2nccs2)F 34a_100000210704_100015184050 [0,0,0,0,0,1|3,0,0]=4 2307 B16R2.25778 Fc1cccc(c1NCc2nccs2)I 34a_100000042321_100015184050 [0,0,0,0,0,1|3,0,0]=4 2308 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Br 34a_100009813666_100016991755 [0,0,0,0,0,1|2,0,0]=3 2309 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Br 7a_100009813666_100000753453 [0,0,0,0,0,1|2,0,0]=3 2310 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000694953_100016991755 [0,0,0,0,0,1|2,0,0]=3 2311 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000694953_100000753453 [0,0,0,0,0,1|2,0,0]=3 2312 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)F 34a_100000230165_100016991755 [0,0,0,0,0,1|2,0,0]=3 2313 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)F 7a_100000230165_100000753453 [0,0,0,0,0,1|2,0,0]=3 2314 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)I 34a_100010186298_100016991755 [0,0,0,0,0,1|2,0,0]=3 2315 B16R2.25778 Fc1cccc(c1OCc2ncc[nH]2)I 7a_100010186298_100000753453 [0,0,0,0,0,1|2,0,0]=3 2316 B16R2.25778 Fc1cccc(c1OCc2ncco2)Br 34a_100009813666_103436540062 [0,0,0,0,0,1|3,0,0]=4 2317 B16R2.25778 Fc1cccc(c1OCc2ncco2)Br 7a_100009813666_103436540062 [0,0,0,0,0,1|3,0,0]=4 2318 B16R2.25778 Fc1cccc(c1OCc2ncco2)Cl 34a_100000694953_103436540062 [0,0,0,0,0,1|3,0,0]=4 2319 B16R2.25778 Fc1cccc(c1OCc2ncco2)Cl 7a_100000694953_103436540062 [0,0,0,0,0,1|3,0,0]=4 2320 B16R2.25778 Fc1cccc(c1OCc2ncco2)F 34a_100000230165_103436540062 [0,0,0,0,0,1|3,0,0]=4 2321 B16R2.25778 Fc1cccc(c1OCc2ncco2)F 7a_100000230165_103436540062 [0,0,0,0,0,1|3,0,0]=4 2322 B16R2.25778 Fc1cccc(c1OCc2ncco2)I 34a_100010186298_103436540062 [0,0,0,0,0,1|3,0,0]=4 2323 B16R2.25778 Fc1cccc(c1OCc2ncco2)I 7a_100010186298_103436540062 [0,0,0,0,0,1|3,0,0]=4 2324 B16R2.25778 Fc1cccc(c1OCc2nccs2)Br 34a_100009813666_100015184050 [0,0,0,0,0,1|3,0,0]=4 2325 B16R2.25778 Fc1cccc(c1OCc2nccs2)Br 7a_100009813666_100015184050 [0,0,0,0,0,1|3,0,0]=4 2326 B16R2.25778 Fc1cccc(c1OCc2nccs2)Cl 34a_100000694953_100015184050 [0,0,0,0,0,1|3,0,0]=4 2327 B16R2.25778 Fc1cccc(c1OCc2nccs2)Cl 7a_100000694953_100015184050 [0,0,0,0,0,1|3,0,0]=4 2328 B16R2.25778 Fc1cccc(c1OCc2nccs2)F 34a_100000230165_100015184050 [0,0,0,0,0,1|3,0,0]=4 2329 B16R2.25778 Fc1cccc(c1OCc2nccs2)F 7a_100000230165_100015184050 [0,0,0,0,0,1|3,0,0]=4 2330 B16R2.25778 Fc1cccc(c1OCc2nccs2)I 34a_100010186298_100015184050 [0,0,0,0,0,1|3,0,0]=4 2331 B16R2.25778 Fc1cccc(c1OCc2nccs2)I 7a_100010186298_100015184050 [0,0,0,0,0,1|3,0,0]=4 2332 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)Br 62a_100011219512_100016991755 [0,0,0,0,0,1|2,0,0]=3 2333 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100011219512 [0,0,0,0,0,1|2,0,0]=3 2334 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000050007_100016991755 [0,0,0,0,0,1|2,0,0]=3 2335 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000050007 [0,0,0,0,0,1|2,0,0]=3 2336 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)F 62a_100000693133_100016991755 [0,0,0,0,0,1|2,0,0]=3 2337 B16R2.25778 Fc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100000693133 [0,0,0,0,0,1|2,0,0]=3 2338 B16R2.25778 Fc1cccc(c1SCc2ncco2)Br 62a_100011219512_103436540062 [0,0,0,0,0,1|3,0,0]=4 2339 B16R2.25778 Fc1cccc(c1SCc2ncco2)Br 62a_103436540062_100011219512 [0,0,0,0,0,1|3,0,0]=4 2340 B16R2.25778 Fc1cccc(c1SCc2ncco2)Cl 62a_100000050007_103436540062 [0,0,0,0,0,1|3,0,0]=4 2341 B16R2.25778 Fc1cccc(c1SCc2ncco2)Cl 62a_103436540062_100000050007 [0,0,0,0,0,1|3,0,0]=4 2342 B16R2.25778 Fc1cccc(c1SCc2ncco2)F 62a_100000693133_103436540062 [0,0,0,0,0,1|3,0,0]=4 2343 B16R2.25778 Fc1cccc(c1SCc2ncco2)F 62a_103436540062_100000693133 [0,0,0,0,0,1|3,0,0]=4 2344 B16R2.25778 Fc1cccc(c1SCc2nccs2)Br 62a_100011219512_100015184050 [0,0,0,0,0,1|3,0,0]=4 2345 B16R2.25778 Fc1cccc(c1SCc2nccs2)Br 62a_100015184050_100011219512 [0,0,0,0,0,1|3,0,0]=4 2346 B16R2.25778 Fc1cccc(c1SCc2nccs2)Cl 62a_100000050007_100015184050 [0,0,0,0,0,1|3,0,0]=4 2347 B16R2.25778 Fc1cccc(c1SCc2nccs2)Cl 62a_100015184050_100000050007 [0,0,0,0,0,1|3,0,0]=4 2348 B16R2.25778 Fc1cccc(c1SCc2nccs2)F 62a_100000693133_100015184050 [0,0,0,0,0,1|3,0,0]=4 2349 B16R2.25778 Fc1cccc(c1SCc2nccs2)F 62a_100015184050_100000693133 [0,0,0,0,0,1|3,0,0]=4 2350 B16R2.25778 Fc1ccnc(c1NCc2ncc[nH]2)F 27a_100000754540_100009874084 [0,0,0,0,0,1|3,0,0]=4 2351 B16R2.25778 Fc1ccnc(c1OCc2ncc[nH]2)Cl 34a_100009867227_100016991755 [0,0,0,0,0,1|3,0,0]=4 2352 B16R2.25778 Fc1ccnc(c1OCc2ncc[nH]2)Cl 7a_100009867227_100000753453 [0,0,0,0,0,1|3,0,0]=4 2353 B16R2.25778 Fc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100000716511_100016991755 [0,0,0,0,0,1|3,0,0]=4 2354 B16R2.25778 Fc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000716511 [0,0,0,0,0,1|3,0,0]=4 2355 B16R2.25778 Fc1ccnc(c1SCc2ncc[nH]2)F 62a_100009874084_100016991755 [0,0,0,0,0,1|3,0,0]=4 2356 B16R2.25778 Fc1ccnc(c1SCc2ncc[nH]2)F 62a_100016991755_100009874084 [0,0,0,0,0,1|3,0,0]=4 2357 B16R2.25778 Fc1cncc(c1SCc2ncc[nH]2)F 62a_100000760538_100016991755 [0,0,0,0,0,1|3,0,0]=4 2358 B16R2.25778 Fc1cncc(c1SCc2ncc[nH]2)F 62a_100016991755_100000760538 [0,0,0,0,0,1|3,0,0]=4 2359 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)Br 34a_100011934915_100016991755 [0,0,0,0,0,1|2,0,0]=3 2360 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000754742_100016991755 [0,0,0,0,0,1|2,0,0]=3 2361 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)F 34a_100011934987_100016991755 [0,0,0,0,0,1|2,0,0]=3 2362 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)I 34a_100010084371_100016991755 [0,0,0,0,0,1|2,0,0]=3 2363 B16R2.25778 Nc1cccc(c1OCc2ncc[nH]2)N 34a_200016994477_100016991755 [0,0,0,0,0,1|2,0,0]=3 2364 B16R2.25778 Nc1cccc(c1OCc2ncco2)Br 34a_100011934915_103436540062 [0,0,0,0,0,1|3,0,0]=4 2365 B16R2.25778 Nc1cccc(c1OCc2ncco2)Cl 34a_100000754742_103436540062 [0,0,0,0,0,1|3,0,0]=4 2366 B16R2.25778 Nc1cccc(c1OCc2ncco2)F 34a_100011934987_103436540062 [0,0,0,0,0,1|3,0,0]=4 2367 B16R2.25778 Nc1cccc(c1OCc2ncco2)I 34a_100010084371_103436540062 [0,0,0,0,0,1|3,0,0]=4 2368 B16R2.25778 Nc1cccc(c1OCc2ncco2)N 34a_200016994477_103436540062 [0,0,0,0,0,1|3,0,0]=4 2369 B16R2.25778 Nc1cccc(c1OCc2nccs2)Br 34a_100011934915_100015184050 [0,0,0,0,0,1|3,0,0]=4 2370 B16R2.25778 Nc1cccc(c1OCc2nccs2)Cl 34a_100000754742_100015184050 [0,0,0,0,0,1|3,0,0]=4 2371 B16R2.25778 Nc1cccc(c1OCc2nccs2)F 34a_100011934987_100015184050 [0,0,0,0,0,1|3,0,0]=4 2372 B16R2.25778 Nc1cccc(c1OCc2nccs2)I 34a_100010084371_100015184050 [0,0,0,0,0,1|3,0,0]=4 2373 B16R2.25778 Nc1cccc(c1OCc2nccs2)N 34a_200016994477_100015184050 [0,0,0,0,0,1|3,0,0]=4 2374 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100020590159 [0,0,0,0,0,1|2,0,0]=3 2375 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)Br 62a_100020590159_100016991755 [0,0,0,0,0,1|2,0,0]=3 2376 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000049713_100016991755 [0,0,0,0,0,1|2,0,0]=3 2377 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000049713 [0,0,0,0,0,1|2,0,0]=3 2378 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)F 62a_100000690935_100016991755 [0,0,0,0,0,1|2,0,0]=3 2379 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100000690935 [0,0,0,0,0,1|2,0,0]=3 2380 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)O 62a_100012183704_100016991755 [0,0,0,0,0,1|2,0,0]=3 2381 B16R2.25778 Nc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100012183704 [0,0,0,0,0,1|2,0,0]=3 2382 B16R2.25778 Nc1cccc(c1SCc2ncco2)Br 62a_100020590159_103436540062 [0,0,0,0,0,1|3,0,0]=4 2383 B16R2.25778 Nc1cccc(c1SCc2ncco2)Br 62a_103436540062_100020590159 [0,0,0,0,0,1|3,0,0]=4 2384 B16R2.25778 Nc1cccc(c1SCc2ncco2)Cl 62a_100000049713_103436540062 [0,0,0,0,0,1|3,0,0]=4 2385 B16R2.25778 Nc1cccc(c1SCc2ncco2)Cl 62a_103436540062_100000049713 [0,0,0,0,0,1|3,0,0]=4 2386 B16R2.25778 Nc1cccc(c1SCc2ncco2)F 62a_100000690935_103436540062 [0,0,0,0,0,1|3,0,0]=4 2387 B16R2.25778 Nc1cccc(c1SCc2ncco2)F 62a_103436540062_100000690935 [0,0,0,0,0,1|3,0,0]=4 2388 B16R2.25778 Nc1cccc(c1SCc2ncco2)O 62a_100012183704_103436540062 [0,0,0,0,0,1|3,0,0]=4 2389 B16R2.25778 Nc1cccc(c1SCc2ncco2)O 62a_103436540062_100012183704 [0,0,0,0,0,1|3,0,0]=4 2390 B16R2.25778 Nc1cccc(c1SCc2nccs2)Br 62a_100015184050_100020590159 [0,0,0,0,0,1|3,0,0]=4 2391 B16R2.25778 Nc1cccc(c1SCc2nccs2)Br 62a_100020590159_100015184050 [0,0,0,0,0,1|3,0,0]=4 2392 B16R2.25778 Nc1cccc(c1SCc2nccs2)Cl 62a_100000049713_100015184050 [0,0,0,0,0,1|3,0,0]=4 2393 B16R2.25778 Nc1cccc(c1SCc2nccs2)Cl 62a_100015184050_100000049713 [0,0,0,0,0,1|3,0,0]=4 2394 B16R2.25778 Nc1cccc(c1SCc2nccs2)F 62a_100000690935_100015184050 [0,0,0,0,0,1|3,0,0]=4 2395 B16R2.25778 Nc1cccc(c1SCc2nccs2)F 62a_100015184050_100000690935 [0,0,0,0,0,1|3,0,0]=4 2396 B16R2.25778 Nc1cccc(c1SCc2nccs2)O 62a_100012183704_100015184050 [0,0,0,0,0,1|3,0,0]=4 2397 B16R2.25778 Nc1cccc(c1SCc2nccs2)O 62a_100015184050_100012183704 [0,0,0,0,0,1|3,0,0]=4 2398 B16R2.25778 Nc1ccnc(c1OCc2ncc[nH]2)Cl 34a_100009844647_100016991755 [0,0,0,0,0,1|3,0,0]=4 2399 B16R2.25778 Nc1ccnc(c1OCc2ncc[nH]2)Cl 7a_100009844647_100000753453 [0,0,0,0,0,1|3,0,0]=4 2400 B16R2.25778 Nc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100010208016_100016991755 [0,0,0,0,0,1|3,0,0]=4 2401 B16R2.25778 Nc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100010208016 [0,0,0,0,0,1|3,0,0]=4 2402 B16R2.25778 Nc1ccnc(c1SCc2ncc[nH]2)F 62a_100010381272_100016991755 [0,0,0,0,0,1|3,0,0]=4 2403 B16R2.25778 Nc1ccnc(c1SCc2ncc[nH]2)F 62a_100016991755_100010381272 [0,0,0,0,0,1|3,0,0]=4 2404 B16R2.25778 Nc1nccc(c1SCc2ncc[nH]2)Cl 62a_100010199028_100016991755 [0,0,0,0,0,1|3,0,0]=4 2405 B16R2.25778 Nc1nccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100010199028 [0,0,0,0,0,1|3,0,0]=4 2406 B16R2.25778 Oc1cccc(c1NCc2ncc[nH]2)Br 34a_100011934926_100016991755 [0,0,0,0,0,1|2,0,0]=3 2407 B16R2.25778 Oc1cccc(c1NCc2ncc[nH]2)Cl 34a_100012022510_100016991755 [0,0,0,0,0,1|2,0,0]=3 2408 B16R2.25778 Oc1cccc(c1NCc2ncc[nH]2)F 34a_100020591140_100016991755 [0,0,0,0,0,1|2,0,0]=3 2409 B16R2.25778 Oc1cccc(c1NCc2ncco2)Br 34a_100011934926_103436540062 [0,0,0,0,0,1|3,0,0]=4 2410 B16R2.25778 Oc1cccc(c1NCc2ncco2)Cl 34a_100012022510_103436540062 [0,0,0,0,0,1|3,0,0]=4 2411 B16R2.25778 Oc1cccc(c1NCc2ncco2)F 34a_100020591140_103436540062 [0,0,0,0,0,1|3,0,0]=4 2412 B16R2.25778 Oc1cccc(c1NCc2nccs2)Br 34a_100011934926_100015184050 [0,0,0,0,0,1|3,0,0]=4 2413 B16R2.25778 Oc1cccc(c1NCc2nccs2)Cl 34a_100012022510_100015184050 [0,0,0,0,0,1|3,0,0]=4 2414 B16R2.25778 Oc1cccc(c1NCc2nccs2)F 34a_100020591140_100015184050 [0,0,0,0,0,1|3,0,0]=4 2415 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)Br 62a_100010187912_100016991755 [0,0,0,0,0,1|2,0,0]=3 2416 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010187912 [0,0,0,0,0,1|2,0,0]=3 2417 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000050174 [0,0,0,0,0,1|2,0,0]=3 2418 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)F 62a_100009820682_100016991755 [0,0,0,0,0,1|2,0,0]=3 2419 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100009820682 [0,0,0,0,0,1|2,0,0]=3 2420 B16R2.25778 Oc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100010205330 [0,0,0,0,0,1|2,0,0]=3 2421 B16R2.25778 Oc1cccc(c1SCc2ncco2)Br 62a_100010187912_103436540062 [0,0,0,0,0,1|3,0,0]=4 2422 B16R2.25778 Oc1cccc(c1SCc2ncco2)Br 62a_103436540062_100010187912 [0,0,0,0,0,1|3,0,0]=4 2423 B16R2.25778 Oc1cccc(c1SCc2ncco2)Cl 62a_103436540062_100000050174 [0,0,0,0,0,1|3,0,0]=4 2424 B16R2.25778 Oc1cccc(c1SCc2ncco2)F 62a_100009820682_103436540062 [0,0,0,0,0,1|3,0,0]=4 2425 B16R2.25778 Oc1cccc(c1SCc2ncco2)F 62a_103436540062_100009820682 [0,0,0,0,0,1|3,0,0]=4 2426 B16R2.25778 Oc1cccc(c1SCc2ncco2)O 62a_103436540062_100010205330 [0,0,0,0,0,1|3,0,0]=4 2427 B16R2.25778 Oc1cccc(c1SCc2nccs2)Br 62a_100010187912_100015184050 [0,0,0,0,0,1|3,0,0]=4 2428 B16R2.25778 Oc1cccc(c1SCc2nccs2)Br 62a_100015184050_100010187912 [0,0,0,0,0,1|3,0,0]=4 2429 B16R2.25778 Oc1cccc(c1SCc2nccs2)Cl 62a_100015184050_100000050174 [0,0,0,0,0,1|3,0,0]=4 2430 B16R2.25778 Oc1cccc(c1SCc2nccs2)F 62a_100009820682_100015184050 [0,0,0,0,0,1|3,0,0]=4 2431 B16R2.25778 Oc1cccc(c1SCc2nccs2)F 62a_100015184050_100009820682 [0,0,0,0,0,1|3,0,0]=4 2432 B16R2.25778 Oc1cccc(c1SCc2nccs2)O 62a_100015184050_100010205330 [0,0,0,0,0,1|3,0,0]=4 2433 B16R2.25778 Oc1ccnc(c1SCc2ncc[nH]2)O 62a_100016991755_200009817435 [0,0,0,0,0,1|3,0,0]=4 2434 B13R1.119 C/C=C/C=C/COCc1ncc[nH]1 34a_100016283227_100016991755 [1,0,1,0,0,0|1,0,1]=4 2435 B13R1.4928 C=CC(=O)Cc1c(cccc1Br)C 1458a_100000185746_100010146847 [1,0,1,0,0,0|2,0,0]=4 2436 B13R1.4928 C=CC(=O)Cc1c(cccc1C)C 1458a_100000185746_100000758300 [1,0,1,0,0,0|1,0,0]=3 2437 B13R1.4928 C=CC(=O)Cc1c(cccc1F)C 1458a_100000185746_100009814554 [1,0,1,0,0,0|2,0,0]=4 2438 B13R1.4928 C=CC(=O)Cc1c(cccc1I)C 1458a_100000185746_100010150146 [1,0,1,0,0,0|2,0,0]=4 2439 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000185746 [1,0,1,0,0,0|2,0,0]=4 2440 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000185746 [1,0,1,0,0,0|2,0,0]=4 2441 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [1,0,1,0,0,0|1,0,1]=4 2442 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [1,0,1,0,0,0|1,0,1]=4 2443 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [1,0,1,0,0,0|1,0,1]=4 2444 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [1,0,1,0,0,0|1,0,1]=4 2445 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000210193_100000211839 [1,0,1,0,0,0|2,0,0]=4 2446 B13R1.470 C=CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210623 [1,0,1,0,0,0|2,0,0]=4 2447 B13R1.8919 C=CCNCc1c(cccc1C)C 2230a_100020586998_100000758300 [1,0,1,0,0,0|1,0,1]=4 2448 B13R1.8919 C=CCNCc1c(cccc1C)C 270004a_100020586998_100000758299 [1,0,1,0,0,0|1,0,1]=4 2449 B13R1.8919 C=CCNCc1c(cccc1C)C 34a_100000689800_100015514636 [1,0,1,0,0,0|1,0,1]=4 2450 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_100011933981_100015514636 [1,0,1,0,0,0|2,0,0]=4 2451 B13R1.8919 C=CCOCc1c(cccc1C)C 34a_200000210373_100000758300 [1,0,1,0,0,0|2,0,0]=4 2452 B13R1.8919 C=CCOCc1c(cccc1C)C 7a_100011933981_100015514636 [1,0,1,0,0,0|2,0,0]=4 2453 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000210623_100000758300 [1,0,1,0,0,0|2,0,0]=4 2454 B13R1.8919 C=CCSCc1c(cccc1C)C 62a_100000758300_100000210623 [1,0,1,0,0,0|2,0,0]=4 2455 B13R1.8919 Cc1cccc(c1CNCC=O)C 34a_100000689800_200009817547 [1,0,1,0,0,0|1,0,1]=4 2456 B13R2.64 c1cc(ccn1)Sc2ncc[nH]2 62a_100000728582_100025796157 [2,0,0,0,0,0|2,0,0]=4 2457 B13R2.64 c1cc(ccn1)Sc2ncc[nH]2 62a_100025796157_100000728582 [2,0,0,0,0,0|2,0,0]=4 2458 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100000719477_100025796157 [2,0,0,0,0,0|1,0,0]=3 2459 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100025796157_100000041952 [2,0,0,0,0,0|1,0,0]=3 2460 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100000719477_100011787736 [2,0,0,0,0,0|2,0,0]=4 2461 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100011787736_100000041952 [2,0,0,0,0,0|2,0,0]=4 2462 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000211983_100000041952 [2,0,0,0,0,0|2,0,0]=4 2463 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000719477_100000211983 [2,0,0,0,0,0|2,0,0]=4 2464 B13R2.64 c1ccc(nc1)Sc2ncc[nH]2 62a_100011216584_100025796157 [2,0,0,0,0,0|2,0,0]=4 2465 B13R2.64 c1ccc(nc1)Sc2ncc[nH]2 62a_100025796157_100011216584 [2,0,0,0,0,0|2,0,0]=4 2466 B13R2.64 c1cncc(c1)Sc2ncc[nH]2 62a_100000210063_100025796157 [2,0,0,0,0,0|2,0,0]=4 2467 B13R2.64 c1cncc(c1)Sc2ncc[nH]2 62a_100025796157_100000210063 [2,0,0,0,0,0|2,0,0]=4 2468 B15R1.1021 C/C=C/C=CC(=O)N(C)Cc1ncc[nH]1 11a_100015184136_100000185730 [0,1,1,0,0,0|2,0,0]=4 2469 B15R1.1021 C/C=C/C=CC(=O)N(C)Cc1ncc[nH]1 240690a_100015184136_100000185730 [0,1,1,0,0,0|2,0,0]=4 2470 B15R1.1378 C/C=C/C=CC(=O)NCc1nccn1C 11a_100015186572_100000185730 [0,1,1,0,0,0|2,0,0]=4 2471 B15R1.1378 C/C=C/C=CC(=O)NCc1nccn1C 240690a_100015186572_100000185730 [0,1,1,0,0,0|2,0,0]=4 2472 B15R1.8287 C=C(C)CC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000748629 [0,1,1,0,0,0|2,0,0]=4 2473 B15R1.8287 C=C(F)CC(=O)Cc1c(cccc1C)C 1458a_100000689862_100009893438 [0,1,1,0,0,0|2,0,0]=4 2474 B15R1.13264 C=CC(C)C(=O)Cc1c(cccc1C)C 1458a_100011216780_100000758300 [0,1,1,0,0,0|2,0,0]=4 2475 B15R1.37637 C=CCC(=O)Cc1c(cc(cc1C)C)C 1458a_100000210193_100000749405 [0,1,1,0,0,0|2,0,0]=4 2476 B15R1.37637 C=CCC(=O)Cc1c(cc(cc1C)C)C 1458a_100000696705_100000210623 [0,1,1,0,0,0|2,0,0]=4 2477 B15R1.45718 C/C=C/CC(=O)Cc1c(cccc1C)C 1458a_100000689862_100102629194 [0,1,1,0,0,0|2,0,0]=4 2478 B15R1.45718 C=CC=CC(=O)Cc1c(cccc1C)C 1458a_100016291481_100000758300 [0,1,1,0,0,0|2,0,0]=4 2479 B15R1.45718 C=CCCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000754431 [0,1,1,0,0,0|2,0,0]=4 2480 B15R1.45718 C=CCCC(=O)Cc1c(cccc1C)C 1458a_100000749702_100000758300 [0,1,1,0,0,0|2,0,0]=4 2481 B15R1.45718 C=CCNC(=O)Cc1c(cccc1Br)C 1626a_100020586998_100010147022 [0,1,1,0,0,0|2,0,0]=4 2482 B15R1.45718 C=CCNC(=O)Cc1c(cccc1Br)C 240690a_100020586998_100010147022 [0,1,1,0,0,0|2,0,0]=4 2483 B15R1.45718 C=CCNC(=O)Cc1c(cccc1Br)C 527a_100020586998_100010147022 [0,1,1,0,0,0|2,0,0]=4 2484 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 1626a_100020586998_100000689862 [0,1,1,0,0,0|1,0,0]=3 2485 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 240690a_100020586998_100000689862 [0,1,1,0,0,0|1,0,0]=3 2486 B15R1.45718 C=CCNC(=O)Cc1c(cccc1C)C 527a_100020586998_100000689862 [0,1,1,0,0,0|1,0,0]=3 2487 B15R1.45718 C=CCNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100020586998 [0,1,1,0,0,0|2,0,0]=4 2488 B15R1.45718 C=CCNC(=O)Nc1c(cccc1C)C 512a_100020586998_100000185769 [0,1,1,0,0,0|2,0,0]=4 2489 B15R1.45718 CC=CCC(=O)Cc1c(cccc1C)C 1458a_100000689862_100000070051 [0,1,1,0,0,0|2,0,0]=4 2490 B15R1.45718 CC=CCC(=O)Cc1c(cccc1C)C 1458a_100121576822_100000758300 [0,1,1,0,0,0|2,0,0]=4 2491 B15R2.123 C=Cc1ccccc1Sc2ncc[nH]2 62a_100011218376_100025796157 [1,1,0,0,0,0|1,0,1]=4 2492 B15R2.123 C=Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011218376 [1,1,0,0,0,0|1,0,1]=4 2493 B15R2.123 CCc1ccccc1Sc2ncc[nH]2 62a_100011215823_100025796157 [1,1,0,0,0,0|1,0,0]=3 2494 B15R2.123 CCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011215823 [1,1,0,0,0,0|1,0,0]=3 2495 B15R2.123 CCc1ccccc1Sc2ncco2 62a_100011215823_100011787736 [1,1,0,0,0,0|2,0,0]=4 2496 B15R2.123 CCc1ccccc1Sc2ncco2 62a_100011787736_100011215823 [1,1,0,0,0,0|2,0,0]=4 2497 B15R2.123 CCc1ccccc1Sc2nccs2 62a_100000211983_100011215823 [1,1,0,0,0,0|2,0,0]=4 2498 B15R2.123 CCc1ccccc1Sc2nccs2 62a_100011215823_100000211983 [1,1,0,0,0,0|2,0,0]=4 2499 B15R2.123 CCc1ccncc1Sc2ncc[nH]2 62a_100009819861_100025796157 [1,1,0,0,0,0|2,0,0]=4 2500 B15R2.123 CCc1ccncc1Sc2ncc[nH]2 62a_100025796157_100009819861 [1,1,0,0,0,0|2,0,0]=4 2501 B15R2.123 CCc1cnccc1Sc2ncc[nH]2 62a_100025704421_100025796157 [1,1,0,0,0,0|2,0,0]=4 2502 B15R2.123 CCc1cnccc1Sc2ncc[nH]2 62a_100025796157_100025704421 [1,1,0,0,0,0|2,0,0]=4 2503 B15R2.123 CCc1ncccc1Sc2ncc[nH]2 62a_100009877225_100025796157 [1,1,0,0,0,0|2,0,0]=4 2504 B15R2.123 CCc1ncccc1Sc2ncc[nH]2 62a_100025796157_100009877225 [1,1,0,0,0,0|2,0,0]=4 2505 B15R2.123 CNc1ccccc1Sc2ncc[nH]2 62a_100020606079_100025796157 [1,1,0,0,0,0|1,0,0]=3 2506 B15R2.123 CNc1ccccc1Sc2ncc[nH]2 62a_100025796157_100020606079 [1,1,0,0,0,0|1,0,0]=3 2507 B15R2.123 CNc1ccccc1Sc2ncco2 62a_100011787736_100020606079 [1,1,0,0,0,0|2,0,0]=4 2508 B15R2.123 CNc1ccccc1Sc2ncco2 62a_100020606079_100011787736 [1,1,0,0,0,0|2,0,0]=4 2509 B15R2.123 CNc1ccccc1Sc2nccs2 62a_100000211983_100020606079 [1,1,0,0,0,0|2,0,0]=4 2510 B15R2.123 CNc1ccccc1Sc2nccs2 62a_100020606079_100000211983 [1,1,0,0,0,0|2,0,0]=4 2511 B15R2.123 CNc1cccnc1Sc2ncc[nH]2 62a_100025796157_200011806188 [1,1,0,0,0,0|2,0,0]=4 2512 B15R2.123 CNc1ccncc1Sc2ncc[nH]2 62a_100010069531_100025796157 [1,1,0,0,0,0|2,0,0]=4 2513 B15R2.123 CNc1ccncc1Sc2ncc[nH]2 62a_100025796157_100010069531 [1,1,0,0,0,0|2,0,0]=4 2514 B15R2.123 CNc1ncccc1Sc2ncc[nH]2 62a_100000700899_100025796157 [1,1,0,0,0,0|2,0,0]=4 2515 B15R2.123 CNc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000700899 [1,1,0,0,0,0|2,0,0]=4 2516 B15R2.123 COc1ccccc1Sc2ncc[nH]2 62a_100000210334_100025796157 [1,1,0,0,0,0|1,0,0]=3 2517 B15R2.123 COc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210334 [1,1,0,0,0,0|1,0,0]=3 2518 B15R2.123 COc1ccccc1Sc2ncco2 62a_100000210334_100011787736 [1,1,0,0,0,0|2,0,0]=4 2519 B15R2.123 COc1ccccc1Sc2ncco2 62a_100011787736_100000210334 [1,1,0,0,0,0|2,0,0]=4 2520 B15R2.123 COc1ccccc1Sc2nccs2 62a_100000210334_100000211983 [1,1,0,0,0,0|2,0,0]=4 2521 B15R2.123 COc1ccccc1Sc2nccs2 62a_100000211983_100000210334 [1,1,0,0,0,0|2,0,0]=4 2522 B15R2.123 COc1cccnc1Sc2ncc[nH]2 62a_100000767102_100025796157 [1,1,0,0,0,0|2,0,0]=4 2523 B15R2.123 COc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000690851 [1,1,0,0,0,0|2,0,0]=4 2524 B15R2.123 COc1ccncc1Sc2ncc[nH]2 62a_100011997281_100025796157 [1,1,0,0,0,0|2,0,0]=4 2525 B15R2.123 COc1ccncc1Sc2ncc[nH]2 62a_100025796157_100011997281 [1,1,0,0,0,0|2,0,0]=4 2526 B15R2.123 COc1cnccc1Sc2ncc[nH]2 62a_100016988167_100025796157 [1,1,0,0,0,0|2,0,0]=4 2527 B15R2.123 COc1cnccc1Sc2ncc[nH]2 62a_100025796157_100016988167 [1,1,0,0,0,0|2,0,0]=4 2528 B15R2.123 COc1ncccc1Sc2ncc[nH]2 62a_100000047025_100025796157 [1,1,0,0,0,0|2,0,0]=4 2529 B15R2.123 COc1ncccc1Sc2ncc[nH]2 62a_100025796157_100000047025 [1,1,0,0,0,0|2,0,0]=4 2530 B15R2.123 CSc1ccccc1Sc2ncc[nH]2 62a_100011217816_100025796157 [1,1,0,0,0,0|1,0,0]=3 2531 B15R2.123 CSc1ccccc1Sc2ncc[nH]2 62a_100025796157_100011217816 [1,1,0,0,0,0|1,0,0]=3 2532 B15R2.123 CSc1ccccc1Sc2ncco2 62a_100011217816_100011787736 [1,1,0,0,0,0|2,0,0]=4 2533 B15R2.123 CSc1ccccc1Sc2ncco2 62a_100011787736_100011217816 [1,1,0,0,0,0|2,0,0]=4 2534 B15R2.123 CSc1ccccc1Sc2nccs2 62a_100000211983_100011217816 [1,1,0,0,0,0|2,0,0]=4 2535 B15R2.123 CSc1ccccc1Sc2nccs2 62a_100011217816_100000211983 [1,1,0,0,0,0|2,0,0]=4 2536 B15R2.123 CSc1ncccc1Sc2ncc[nH]2 62a_100011465278_100025796157 [1,1,0,0,0,0|2,0,0]=4 2537 B15R2.123 CSc1ncccc1Sc2ncc[nH]2 62a_100025796157_100011465278 [1,1,0,0,0,0|2,0,0]=4 2538 B15R2.123 N#Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000188569 [1,1,0,0,0,0|1,0,1]=4 2539 B15R2.123 NCc1ccccc1Sc2ncc[nH]2 62a_100000689332_100025796157 [1,1,0,0,0,0|1,0,0]=3 2540 B15R2.123 NCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000689332 [1,1,0,0,0,0|1,0,0]=3 2541 B15R2.123 NCc1ccccc1Sc2ncco2 62a_100000689332_100011787736 [1,1,0,0,0,0|2,0,0]=4 2542 B15R2.123 NCc1ccccc1Sc2ncco2 62a_100011787736_100000689332 [1,1,0,0,0,0|2,0,0]=4 2543 B15R2.123 NCc1ccccc1Sc2nccs2 62a_100000211983_100000689332 [1,1,0,0,0,0|2,0,0]=4 2544 B15R2.123 NCc1ccccc1Sc2nccs2 62a_100000689332_100000211983 [1,1,0,0,0,0|2,0,0]=4 2545 B15R2.123 NCc1cccnc1Sc2ncc[nH]2 62a_100015189234_100025796157 [1,1,0,0,0,0|2,0,0]=4 2546 B15R2.123 NCc1cccnc1Sc2ncc[nH]2 62a_100025796157_100015189234 [1,1,0,0,0,0|2,0,0]=4 2547 B15R2.123 NCc1ccncc1Sc2ncc[nH]2 62a_100020640021_100025796157 [1,1,0,0,0,0|2,0,0]=4 2548 B15R2.123 NCc1ccncc1Sc2ncc[nH]2 62a_100025796157_100020640021 [1,1,0,0,0,0|2,0,0]=4 2549 B15R2.123 NCc1ncccc1Sc2ncc[nH]2 62a_100020591323_100025796157 [1,1,0,0,0,0|2,0,0]=4 2550 B15R2.123 NCc1ncccc1Sc2ncc[nH]2 62a_100025796157_100020591323 [1,1,0,0,0,0|2,0,0]=4 2551 B15R2.123 NNc1ccccc1Sc2ncc[nH]2 62a_100000241748_100025796157 [1,1,0,0,0,0|2,0,0]=4 2552 B15R2.123 NNc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000241748 [1,1,0,0,0,0|2,0,0]=4 2553 B15R2.123 O=Cc1ccccc1Sc2ncc[nH]2 62a_100000210073_100025796157 [1,1,0,0,0,0|1,0,1]=4 2554 B15R2.123 O=Cc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000210073 [1,1,0,0,0,0|1,0,1]=4 2555 B15R2.123 OCc1ccccc1Sc2ncc[nH]2 62a_100000187465_100025796157 [1,1,0,0,0,0|1,0,0]=3 2556 B15R2.123 OCc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000187465 [1,1,0,0,0,0|1,0,0]=3 2557 B15R2.123 OCc1ccccc1Sc2ncco2 62a_100000187465_100011787736 [1,1,0,0,0,0|2,0,0]=4 2558 B15R2.123 OCc1ccccc1Sc2ncco2 62a_100011787736_100000187465 [1,1,0,0,0,0|2,0,0]=4 2559 B15R2.123 OCc1ccccc1Sc2nccs2 62a_100000187465_100000211983 [1,1,0,0,0,0|2,0,0]=4 2560 B15R2.123 OCc1ccccc1Sc2nccs2 62a_100000211983_100000187465 [1,1,0,0,0,0|2,0,0]=4 2561 B15R2.123 OCc1cccnc1Sc2ncc[nH]2 62a_100000748726_100025796157 [1,1,0,0,0,0|2,0,0]=4 2562 B15R2.123 OCc1cccnc1Sc2ncc[nH]2 62a_100025796157_100000748726 [1,1,0,0,0,0|2,0,0]=4 2563 B15R2.123 OCc1ccncc1Sc2ncc[nH]2 62a_100009873359_100025796157 [1,1,0,0,0,0|2,0,0]=4 2564 B15R2.123 OCc1ccncc1Sc2ncc[nH]2 62a_100025796157_100009873359 [1,1,0,0,0,0|2,0,0]=4 2565 B15R2.123 OCc1cnccc1Sc2ncc[nH]2 62a_100000117392_100025796157 [1,1,0,0,0,0|2,0,0]=4 2566 B15R2.123 OCc1cnccc1Sc2ncc[nH]2 62a_100025796157_100000117392 [1,1,0,0,0,0|2,0,0]=4 2567 B15R2.123 OCc1ncccc1Sc2ncc[nH]2 62a_100011996772_100025796157 [1,1,0,0,0,0|2,0,0]=4 2568 B15R2.123 OCc1ncccc1Sc2ncc[nH]2 62a_100025796157_100011996772 [1,1,0,0,0,0|2,0,0]=4 2569 B15R2.305 Cc1c[nH]c(n1)Sc2cccc[n+]2C 62a_100161115468_100000212160 [1,1,0,0,0,0|2,0,0]=4 2570 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2Br 62a_100000695589_100161115468 [1,1,0,0,0,0|2,0,0]=4 2571 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2Br 62a_100161115468_100000695589 [1,1,0,0,0,0|2,0,0]=4 2572 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2C 62a_100000210755_100161115468 [1,1,0,0,0,0|1,0,0]=3 2573 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2C 62a_100161115468_100000210755 [1,1,0,0,0,0|1,0,0]=3 2574 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2Cl 62a_100000764095_100161115468 [1,1,0,0,0,0|2,0,0]=4 2575 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2Cl 62a_100161115468_100000764095 [1,1,0,0,0,0|2,0,0]=4 2576 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2F 62a_100011215700_100161115468 [1,1,0,0,0,0|2,0,0]=4 2577 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2F 62a_100161115468_100011215700 [1,1,0,0,0,0|2,0,0]=4 2578 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2N 62a_100000210017_100161115468 [1,1,0,0,0,0|2,0,0]=4 2579 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2N 62a_100161115468_100000210017 [1,1,0,0,0,0|2,0,0]=4 2580 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2O 62a_100000739446_100161115468 [1,1,0,0,0,0|2,0,0]=4 2581 B15R2.305 Cc1c[nH]c(n1)Sc2ccccc2O 62a_100161115468_100000739446 [1,1,0,0,0,0|2,0,0]=4 2582 B15R2.305 Cc1c[nH]c(n1)Sc2cccnc2C 62a_100000751574_100161115468 [1,1,0,0,0,0|2,0,0]=4 2583 B15R2.305 Cc1c[nH]c(n1)Sc2cccnc2C 62a_100161115468_100000751574 [1,1,0,0,0,0|2,0,0]=4 2584 B15R2.305 Cc1c[nH]c(n1)Sc2ccncc2C 62a_100000765111_100161115468 [1,1,0,0,0,0|2,0,0]=4 2585 B15R2.305 Cc1c[nH]c(n1)Sc2ccncc2C 62a_100161115468_100000765111 [1,1,0,0,0,0|2,0,0]=4 2586 B15R2.305 Cc1c[nH]c(n1)Sc2cnccc2C 62a_100000761580_100161115468 [1,1,0,0,0,0|2,0,0]=4 2587 B15R2.305 Cc1c[nH]c(n1)Sc2cnccc2C 62a_100161115468_100000761580 [1,1,0,0,0,0|2,0,0]=4 2588 B15R2.305 Cc1c[nH]c(n1)Sc2ncccc2C 62a_100000751373_100161115468 [1,1,0,0,0,0|2,0,0]=4 2589 B15R2.305 Cc1c[nH]c(n1)Sc2ncccc2C 62a_100161115468_100000751373 [1,1,0,0,0,0|2,0,0]=4 2590 B15R2.305 Cc1ccccc1Cc2noc(n2)O 270196a_100000185101_100015183105 [1,1,0,0,0,0|1,0,1]=4 2591 B15R2.305 Cc1ccccc1Sc2nc(cs2)Br 62a_100000210755_200016082925 [1,1,0,0,0,0|2,0,0]=4 2592 B15R2.305 Cc1ccccc1Sc2nc(cs2)Br 62a_200016082925_100000210755 [1,1,0,0,0,0|2,0,0]=4 2593 B15R2.305 Cc1ccccc1Sc2nc(cs2)N 62a_100000210755_200015188442 [1,1,0,0,0,0|2,0,0]=4 2594 B15R2.305 Cc1ccccc1Sc2nc(cs2)N 62a_200015188442_100000210755 [1,1,0,0,0,0|2,0,0]=4 2595 B15R2.305 Cc1cnc(s1)Sc2ccccc2C 62a_100000210755_100000690809 [1,1,0,0,0,0|2,0,0]=4 2596 B15R2.305 Cc1cnc(s1)Sc2ccccc2C 62a_100000690809_100000210755 [1,1,0,0,0,0|2,0,0]=4 2597 B15R2.305 Cc1csc(n1)Sc2ccccc2C 62a_100000210755_100011291629 [1,1,0,0,0,0|2,0,0]=4 2598 B15R2.305 Cc1csc(n1)Sc2ccccc2C 62a_100011291629_100000210755 [1,1,0,0,0,0|2,0,0]=4 2599 B15R2.305 Cc1nc(no1)Cc2ccccc2C 270196a_100000185101_100000070787 [1,1,0,0,0,0|1,0,1]=4 2600 B15R2.305 Cc1noc(n1)Cc2ccccc2C 270196a_100000212224_100000212180 [1,1,0,0,0,0|2,0,0]=4 2601 B15R2.359 Cc1ccccc1Nc2ncnn2C 27a_100015192222_100000732653 [1,1,0,0,0,0|2,0,0]=4 2602 B15R2.359 Cc1ccccc1Sc2nccn2C 62a_100000210755_100000707724 [1,1,0,0,0,0|1,0,0]=3 2603 B15R2.359 Cc1ccccc1Sc2nccn2C 62a_100000707724_100000210755 [1,1,0,0,0,0|1,0,0]=3 2604 B15R2.359 Cc1ccccc1Sc2ncnn2C 62a_100000210755_100000732653 [1,1,0,0,0,0|2,0,0]=4 2605 B15R2.359 Cc1ccccc1Sc2ncnn2C 62a_100000732653_100000210755 [1,1,0,0,0,0|2,0,0]=4 2606 B15R2.359 Cc1cccnc1Sc2nccn2C 62a_100000707724_100000751373 [1,1,0,0,0,0|2,0,0]=4 2607 B15R2.359 Cc1cccnc1Sc2nccn2C 62a_100000751373_100000707724 [1,1,0,0,0,0|2,0,0]=4 2608 B15R2.359 Cc1ccncc1Sc2nccn2C 62a_100000707724_100000761580 [1,1,0,0,0,0|2,0,0]=4 2609 B15R2.359 Cc1ccncc1Sc2nccn2C 62a_100000761580_100000707724 [1,1,0,0,0,0|2,0,0]=4 2610 B15R2.359 Cc1cnccc1Sc2nccn2C 62a_100000707724_100000765111 [1,1,0,0,0,0|2,0,0]=4 2611 B15R2.359 Cc1cnccc1Sc2nccn2C 62a_100000765111_100000707724 [1,1,0,0,0,0|2,0,0]=4 2612 B15R2.359 Cc1ncccc1Sc2nccn2C 62a_100000707724_100000751574 [1,1,0,0,0,0|2,0,0]=4 2613 B15R2.359 Cc1ncccc1Sc2nccn2C 62a_100000751574_100000707724 [1,1,0,0,0,0|2,0,0]=4 2614 B15R2.359 Cn1ccnc1Sc2cccc[n+]2C 62a_100000707724_100000212160 [1,1,0,0,0,0|2,0,0]=4 2615 B15R2.359 Cn1ccnc1Sc2ccccc2Br 62a_100000695589_100000707724 [1,1,0,0,0,0|2,0,0]=4 2616 B15R2.359 Cn1ccnc1Sc2ccccc2Br 62a_100000707724_100000695589 [1,1,0,0,0,0|2,0,0]=4 2617 B15R2.359 Cn1ccnc1Sc2ccccc2Cl 62a_100000707724_100000764095 [1,1,0,0,0,0|2,0,0]=4 2618 B15R2.359 Cn1ccnc1Sc2ccccc2Cl 62a_100000764095_100000707724 [1,1,0,0,0,0|2,0,0]=4 2619 B15R2.359 Cn1ccnc1Sc2ccccc2F 62a_100000707724_100011215700 [1,1,0,0,0,0|2,0,0]=4 2620 B15R2.359 Cn1ccnc1Sc2ccccc2F 62a_100011215700_100000707724 [1,1,0,0,0,0|2,0,0]=4 2621 B15R2.359 Cn1ccnc1Sc2ccccc2N 62a_100000210017_100000707724 [1,1,0,0,0,0|2,0,0]=4 2622 B15R2.359 Cn1ccnc1Sc2ccccc2N 62a_100000707724_100000210017 [1,1,0,0,0,0|2,0,0]=4 2623 B15R2.359 Cn1ccnc1Sc2ccccc2O 62a_100000707724_100000739446 [1,1,0,0,0,0|2,0,0]=4 2624 B15R2.359 Cn1ccnc1Sc2ccccc2O 62a_100000739446_100000707724 [1,1,0,0,0,0|2,0,0]=4 2625 B15R2.1109 Brc1cccc(c1Br)Sc2ncc[nH]2 62a_100010175083_100025796157 [1,1,0,0,0,0|2,0,0]=4 2626 B15R2.1109 Brc1cccc(c1Br)Sc2ncc[nH]2 62a_100025796157_100010175083 [1,1,0,0,0,0|2,0,0]=4 2627 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)Br 62a_100012353703_100025796157 [1,1,0,0,0,0|1,0,0]=3 2628 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)Br 62a_100025796157_100012353703 [1,1,0,0,0,0|1,0,0]=3 2629 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)Cl 62a_100000726075_100025796157 [1,1,0,0,0,0|1,0,0]=3 2630 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)Cl 62a_100025796157_100000726075 [1,1,0,0,0,0|1,0,0]=3 2631 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)F 62a_100011216893_100025796157 [1,1,0,0,0,0|1,0,0]=3 2632 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)F 62a_100025796157_100011216893 [1,1,0,0,0,0|1,0,0]=3 2633 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)N 62a_100000761887_100025796157 [1,1,0,0,0,0|1,0,0]=3 2634 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)N 62a_100025796157_100000761887 [1,1,0,0,0,0|1,0,0]=3 2635 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)O 62a_100012002258_100025796157 [1,1,0,0,0,0|1,0,0]=3 2636 B15R2.1109 Cc1c(cccc1Sc2ncc[nH]2)O 62a_100025796157_100012002258 [1,1,0,0,0,0|1,0,0]=3 2637 B15R2.1109 Cc1c(cccc1Sc2ncco2)Br 62a_100011787736_100012353703 [1,1,0,0,0,0|2,0,0]=4 2638 B15R2.1109 Cc1c(cccc1Sc2ncco2)Br 62a_100012353703_100011787736 [1,1,0,0,0,0|2,0,0]=4 2639 B15R2.1109 Cc1c(cccc1Sc2ncco2)Cl 62a_100000726075_100011787736 [1,1,0,0,0,0|2,0,0]=4 2640 B15R2.1109 Cc1c(cccc1Sc2ncco2)Cl 62a_100011787736_100000726075 [1,1,0,0,0,0|2,0,0]=4 2641 B15R2.1109 Cc1c(cccc1Sc2ncco2)F 62a_100011216893_100011787736 [1,1,0,0,0,0|2,0,0]=4 2642 B15R2.1109 Cc1c(cccc1Sc2ncco2)F 62a_100011787736_100011216893 [1,1,0,0,0,0|2,0,0]=4 2643 B15R2.1109 Cc1c(cccc1Sc2ncco2)N 62a_100000761887_100011787736 [1,1,0,0,0,0|2,0,0]=4 2644 B15R2.1109 Cc1c(cccc1Sc2ncco2)N 62a_100011787736_100000761887 [1,1,0,0,0,0|2,0,0]=4 2645 B15R2.1109 Cc1c(cccc1Sc2ncco2)O 62a_100011787736_100012002258 [1,1,0,0,0,0|2,0,0]=4 2646 B15R2.1109 Cc1c(cccc1Sc2ncco2)O 62a_100012002258_100011787736 [1,1,0,0,0,0|2,0,0]=4 2647 B15R2.1109 Cc1c(cccc1Sc2nccs2)Br 62a_100000211983_100012353703 [1,1,0,0,0,0|2,0,0]=4 2648 B15R2.1109 Cc1c(cccc1Sc2nccs2)Br 62a_100012353703_100000211983 [1,1,0,0,0,0|2,0,0]=4 2649 B15R2.1109 Cc1c(cccc1Sc2nccs2)Cl 62a_100000211983_100000726075 [1,1,0,0,0,0|2,0,0]=4 2650 B15R2.1109 Cc1c(cccc1Sc2nccs2)Cl 62a_100000726075_100000211983 [1,1,0,0,0,0|2,0,0]=4 2651 B15R2.1109 Cc1c(cccc1Sc2nccs2)F 62a_100000211983_100011216893 [1,1,0,0,0,0|2,0,0]=4 2652 B15R2.1109 Cc1c(cccc1Sc2nccs2)F 62a_100011216893_100000211983 [1,1,0,0,0,0|2,0,0]=4 2653 B15R2.1109 Cc1c(cccc1Sc2nccs2)N 62a_100000211983_100000761887 [1,1,0,0,0,0|2,0,0]=4 2654 B15R2.1109 Cc1c(cccc1Sc2nccs2)N 62a_100000761887_100000211983 [1,1,0,0,0,0|2,0,0]=4 2655 B15R2.1109 Cc1c(cccc1Sc2nccs2)O 62a_100000211983_100012002258 [1,1,0,0,0,0|2,0,0]=4 2656 B15R2.1109 Cc1c(cccc1Sc2nccs2)O 62a_100012002258_100000211983 [1,1,0,0,0,0|2,0,0]=4 2657 B15R2.1109 Cc1c(ccnc1Cl)Sc2ncc[nH]2 62a_100000047055_100025796157 [1,1,0,0,0,0|2,0,0]=4 2658 B15R2.1109 Cc1c(ccnc1Cl)Sc2ncc[nH]2 62a_100025796157_100000047055 [1,1,0,0,0,0|2,0,0]=4 2659 B15R2.1109 Cc1c(ccnc1F)Sc2ncc[nH]2 62a_100010006593_100025796157 [1,1,0,0,0,0|2,0,0]=4 2660 B15R2.1109 Cc1c(ccnc1F)Sc2ncc[nH]2 62a_100025796157_100010006593 [1,1,0,0,0,0|2,0,0]=4 2661 B15R2.1109 Cc1c(ccnc1N)Sc2ncc[nH]2 62a_100009865460_100025796157 [1,1,0,0,0,0|2,0,0]=4 2662 B15R2.1109 Cc1c(ccnc1N)Sc2ncc[nH]2 62a_100025796157_100009865460 [1,1,0,0,0,0|2,0,0]=4 2663 B15R2.1109 Cc1c(ccnc1O)Sc2ncc[nH]2 62a_100009858498_100025796157 [1,1,0,0,0,0|2,0,0]=4 2664 B15R2.1109 Cc1c(ccnc1O)Sc2ncc[nH]2 62a_100025796157_100009858498 [1,1,0,0,0,0|2,0,0]=4 2665 B15R2.1109 Cc1c(ccnc1Sc2ncc[nH]2)F 62a_100009846374_100025796157 [1,1,0,0,0,0|2,0,0]=4 2666 B15R2.1109 Cc1c(ccnc1Sc2ncc[nH]2)F 62a_100025796157_100009846374 [1,1,0,0,0,0|2,0,0]=4 2667 B15R2.1109 Cc1c(ccnc1Sc2ncc[nH]2)N 62a_100000690622_100025796157 [1,1,0,0,0,0|2,0,0]=4 2668 B15R2.1109 Cc1c(ccnc1Sc2ncc[nH]2)N 62a_100025796157_100000690622 [1,1,0,0,0,0|2,0,0]=4 2669 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)Br 62a_100010109657_100025796157 [1,1,0,0,0,0|2,0,0]=4 2670 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)Br 62a_100025796157_100010109657 [1,1,0,0,0,0|2,0,0]=4 2671 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)F 62a_100009881546_100025796157 [1,1,0,0,0,0|2,0,0]=4 2672 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)F 62a_100025796157_100009881546 [1,1,0,0,0,0|2,0,0]=4 2673 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)N 62a_100011998293_100025796157 [1,1,0,0,0,0|2,0,0]=4 2674 B15R2.1109 Cc1c(cncc1Sc2ncc[nH]2)N 62a_100025796157_100011998293 [1,1,0,0,0,0|2,0,0]=4 2675 B15R2.1109 Cc1cccc(c1Br)Sc2ncc[nH]2 62a_100012362457_100025796157 [1,1,0,0,0,0|2,0,0]=4 2676 B15R2.1109 Cc1cccc(c1Br)Sc2ncc[nH]2 62a_100025796157_100012362457 [1,1,0,0,0,0|2,0,0]=4 2677 B15R2.1109 Cc1cccc(c1C)Sc2ncc[nH]2 62a_100011214922_100025796157 [1,1,0,0,0,0|1,0,0]=3 2678 B15R2.1109 Cc1cccc(c1C)Sc2ncc[nH]2 62a_100025796157_100011214922 [1,1,0,0,0,0|1,0,0]=3 2679 B15R2.1109 Cc1cccc(c1C)Sc2ncco2 62a_100011214922_100011787736 [1,1,0,0,0,0|2,0,0]=4 2680 B15R2.1109 Cc1cccc(c1C)Sc2ncco2 62a_100011787736_100011214922 [1,1,0,0,0,0|2,0,0]=4 2681 B15R2.1109 Cc1cccc(c1C)Sc2nccs2 62a_100000211983_100011214922 [1,1,0,0,0,0|2,0,0]=4 2682 B15R2.1109 Cc1cccc(c1C)Sc2nccs2 62a_100011214922_100000211983 [1,1,0,0,0,0|2,0,0]=4 2683 B15R2.1109 Cc1cccc(c1Cl)Sc2ncc[nH]2 62a_100025796157_200012352035 [1,1,0,0,0,0|2,0,0]=4 2684 B15R2.1109 Cc1cccc(c1Cl)Sc2ncc[nH]2 62a_200012352035_100025796157 [1,1,0,0,0,0|2,0,0]=4 2685 B15R2.1109 Cc1cccc(c1F)Sc2ncc[nH]2 62a_100000717567_100025796157 [1,1,0,0,0,0|2,0,0]=4 2686 B15R2.1109 Cc1cccc(c1F)Sc2ncc[nH]2 62a_100025796157_100000717567 [1,1,0,0,0,0|2,0,0]=4 2687 B15R2.1109 Cc1cccc(c1N)Sc2ncc[nH]2 62a_100011834072_100025796157 [1,1,0,0,0,0|2,0,0]=4 2688 B15R2.1109 Cc1cccc(c1N)Sc2ncc[nH]2 62a_100025796157_100011834072 [1,1,0,0,0,0|2,0,0]=4 2689 B15R2.1109 Cc1cccc(c1O)Sc2ncc[nH]2 62a_100009817157_100025796157 [1,1,0,0,0,0|2,0,0]=4 2690 B15R2.1109 Cc1cccc(c1O)Sc2ncc[nH]2 62a_100025796157_100009817157 [1,1,0,0,0,0|2,0,0]=4 2691 B15R2.1109 Cc1ccnc(c1C)Sc2ncc[nH]2 62a_100009847204_100025796157 [1,1,0,0,0,0|2,0,0]=4 2692 B15R2.1109 Cc1ccnc(c1C)Sc2ncc[nH]2 62a_100025796157_100009847204 [1,1,0,0,0,0|2,0,0]=4 2693 B15R2.1109 Cc1cncc(c1C)Sc2ncc[nH]2 62a_100009864703_100025796157 [1,1,0,0,0,0|2,0,0]=4 2694 B15R2.1109 Cc1cncc(c1C)Sc2ncc[nH]2 62a_100025796157_100009864703 [1,1,0,0,0,0|2,0,0]=4 2695 B15R2.1109 Cc1nccc(c1C)Sc2ncc[nH]2 62a_100009846815_100025796157 [1,1,0,0,0,0|2,0,0]=4 2696 B15R2.1109 Cc1nccc(c1C)Sc2ncc[nH]2 62a_100025796157_100009846815 [1,1,0,0,0,0|2,0,0]=4 2697 B15R2.1109 Clc1c(cccc1Sc2ncc[nH]2)Br 62a_100010142854_100025796157 [1,1,0,0,0,0|2,0,0]=4 2698 B15R2.1109 Clc1c(cccc1Sc2ncc[nH]2)Br 62a_100025796157_100010142854 [1,1,0,0,0,0|2,0,0]=4 2699 B15R2.1109 Clc1cccc(c1Br)Sc2ncc[nH]2 62a_100014021842_100025796157 [1,1,0,0,0,0|2,0,0]=4 2700 B15R2.1109 Clc1cccc(c1Br)Sc2ncc[nH]2 62a_100025796157_100014021842 [1,1,0,0,0,0|2,0,0]=4 2701 B15R2.1109 Clc1cccc(c1Cl)Sc2ncc[nH]2 62a_100011215384_100025796157 [1,1,0,0,0,0|2,0,0]=4 2702 B15R2.1109 Clc1cccc(c1Cl)Sc2ncc[nH]2 62a_100025796157_100011215384 [1,1,0,0,0,0|2,0,0]=4 2703 B15R2.1109 Cn1c(cccc1=O)Sc2ncc[nH]2 62a_100000726605_100025796157 [1,1,0,0,0,0|2,0,0]=4 2704 B15R2.1109 Cn1c(cccc1=O)Sc2ncc[nH]2 62a_100025796157_100000726605 [1,1,0,0,0,0|2,0,0]=4 2705 B15R2.1109 Fc1c(cccc1Sc2ncc[nH]2)Br 62a_100000702267_100025796157 [1,1,0,0,0,0|2,0,0]=4 2706 B15R2.1109 Fc1c(cccc1Sc2ncc[nH]2)Br 62a_100025796157_100000702267 [1,1,0,0,0,0|2,0,0]=4 2707 B15R2.1109 Fc1c(cccc1Sc2ncc[nH]2)Cl 62a_100011217346_100025796157 [1,1,0,0,0,0|2,0,0]=4 2708 B15R2.1109 Fc1c(cccc1Sc2ncc[nH]2)Cl 62a_100025796157_100011217346 [1,1,0,0,0,0|2,0,0]=4 2709 B15R2.1109 Fc1cccc(c1Br)Sc2ncc[nH]2 62a_100010202630_100025796157 [1,1,0,0,0,0|2,0,0]=4 2710 B15R2.1109 Fc1cccc(c1Br)Sc2ncc[nH]2 62a_100025796157_100010202630 [1,1,0,0,0,0|2,0,0]=4 2711 B15R2.1109 Fc1cccc(c1Cl)Sc2ncc[nH]2 62a_100025796157_200010234923 [1,1,0,0,0,0|2,0,0]=4 2712 B15R2.1109 Fc1cccc(c1Cl)Sc2ncc[nH]2 62a_200010234923_100025796157 [1,1,0,0,0,0|2,0,0]=4 2713 B15R2.1109 Fc1cccc(c1F)Sc2ncc[nH]2 62a_100000694657_100025796157 [1,1,0,0,0,0|2,0,0]=4 2714 B15R2.1109 Fc1cccc(c1F)Sc2ncc[nH]2 62a_100025796157_100000694657 [1,1,0,0,0,0|2,0,0]=4 2715 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)Br 62a_100010146558_100025796157 [1,1,0,0,0,0|2,0,0]=4 2716 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)Br 62a_100025796157_100010146558 [1,1,0,0,0,0|2,0,0]=4 2717 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)Cl 62a_100010190421_100025796157 [1,1,0,0,0,0|2,0,0]=4 2718 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)Cl 62a_100025796157_100010190421 [1,1,0,0,0,0|2,0,0]=4 2719 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)F 62a_100000042321_100025796157 [1,1,0,0,0,0|2,0,0]=4 2720 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)F 62a_100025796157_100000042321 [1,1,0,0,0,0|2,0,0]=4 2721 B15R2.1109 Nc1c(cccc1Sc2ncc[nH]2)O 62a_100025796157_100011934926 [1,1,0,0,0,0|2,0,0]=4 2722 B15R2.1109 Nc1cccc(c1F)Sc2ncc[nH]2 62a_100011935091_100025796157 [1,1,0,0,0,0|2,0,0]=4 2723 B15R2.1109 Nc1cccc(c1F)Sc2ncc[nH]2 62a_100025796157_100011935091 [1,1,0,0,0,0|2,0,0]=4 2724 B15R2.1109 Nc1cccc(c1N)Sc2ncc[nH]2 62a_100015191791_100025796157 [1,1,0,0,0,0|2,0,0]=4 2725 B15R2.1109 Nc1cccc(c1O)Sc2ncc[nH]2 62a_100011934915_100025796157 [1,1,0,0,0,0|2,0,0]=4 2726 B15R2.1109 Nc1cccc(c1O)Sc2ncc[nH]2 62a_100025796157_100010084371 [1,1,0,0,0,0|2,0,0]=4 2727 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)Br 62a_100010084509_100025796157 [1,1,0,0,0,0|2,0,0]=4 2728 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)Br 62a_100025796157_100010084509 [1,1,0,0,0,0|2,0,0]=4 2729 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)Cl 62a_100010202889_100025796157 [1,1,0,0,0,0|2,0,0]=4 2730 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)Cl 62a_100025796157_100010202889 [1,1,0,0,0,0|2,0,0]=4 2731 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)F 62a_100009813666_100025796157 [1,1,0,0,0,0|2,0,0]=4 2732 B15R2.1109 Oc1c(cccc1Sc2ncc[nH]2)F 62a_100025796157_100009813666 [1,1,0,0,0,0|2,0,0]=4 2733 B15R2.1109 Oc1cccc(c1Br)Sc2ncc[nH]2 62a_100010187914_100025796157 [1,1,0,0,0,0|2,0,0]=4 2734 B15R2.1109 Oc1cccc(c1Br)Sc2ncc[nH]2 62a_100025796157_100010187914 [1,1,0,0,0,0|2,0,0]=4 2735 B15R2.1109 Oc1cccc(c1Cl)Sc2ncc[nH]2 62a_100025796157_100000049636 [1,1,0,0,0,0|2,0,0]=4 2736 B15R2.1109 Oc1cccc(c1F)Sc2ncc[nH]2 62a_100009817021_100025796157 [1,1,0,0,0,0|2,0,0]=4 2737 B15R2.1109 Oc1cccc(c1F)Sc2ncc[nH]2 62a_100025796157_100009817021 [1,1,0,0,0,0|2,0,0]=4 2738 B15R2.1109 Oc1cccc(c1O)Sc2ncc[nH]2 62a_100025796157_100009815950 [1,1,0,0,0,0|2,0,0]=4 2739 B15R2.1154 Brc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100011484698_100025796157 [1,1,0,0,0,0|2,0,0]=4 2740 B15R2.1154 Brc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100011484698 [1,1,0,0,0,0|2,0,0]=4 2741 B15R2.1154 Cc1c[n+](ccc1Sc2ncc[nH]2)[O-] 62a_100025796157_100000074940 [1,1,0,0,0,0|2,0,0]=4 2742 B15R2.1154 Cc1cc(c(cn1)Sc2ncc[nH]2)C 62a_100009819613_100025796157 [1,1,0,0,0,0|2,0,0]=4 2743 B15R2.1154 Cc1cc(c(cn1)Sc2ncc[nH]2)C 62a_100025796157_100009819613 [1,1,0,0,0,0|2,0,0]=4 2744 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)Br 62a_100000701812_100025796157 [1,1,0,0,0,0|1,0,0]=3 2745 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)Br 62a_100025796157_100000701812 [1,1,0,0,0,0|1,0,0]=3 2746 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100011219607_100025796157 [1,1,0,0,0,0|1,0,0]=3 2747 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100025796157_100011219607 [1,1,0,0,0,0|1,0,0]=3 2748 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)F 62a_100011205405_100025796157 [1,1,0,0,0,0|1,0,0]=3 2749 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)F 62a_100025796157_100011205405 [1,1,0,0,0,0|1,0,0]=3 2750 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)N 62a_100000210723_100025796157 [1,1,0,0,0,0|1,0,0]=3 2751 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)N 62a_100025796157_100000210723 [1,1,0,0,0,0|1,0,0]=3 2752 B15R2.1154 Cc1cc(ccc1Sc2ncc[nH]2)O 62a_100025796157_100000690111 [1,1,0,0,0,0|1,0,0]=3 2753 B15R2.1154 Cc1cc(ccc1Sc2ncco2)Br 62a_100000701812_100011787736 [1,1,0,0,0,0|2,0,0]=4 2754 B15R2.1154 Cc1cc(ccc1Sc2ncco2)Br 62a_100011787736_100000701812 [1,1,0,0,0,0|2,0,0]=4 2755 B15R2.1154 Cc1cc(ccc1Sc2ncco2)Cl 62a_100011219607_100011787736 [1,1,0,0,0,0|2,0,0]=4 2756 B15R2.1154 Cc1cc(ccc1Sc2ncco2)Cl 62a_100011787736_100011219607 [1,1,0,0,0,0|2,0,0]=4 2757 B15R2.1154 Cc1cc(ccc1Sc2ncco2)F 62a_100011205405_100011787736 [1,1,0,0,0,0|2,0,0]=4 2758 B15R2.1154 Cc1cc(ccc1Sc2ncco2)F 62a_100011787736_100011205405 [1,1,0,0,0,0|2,0,0]=4 2759 B15R2.1154 Cc1cc(ccc1Sc2ncco2)N 62a_100000210723_100011787736 [1,1,0,0,0,0|2,0,0]=4 2760 B15R2.1154 Cc1cc(ccc1Sc2ncco2)N 62a_100011787736_100000210723 [1,1,0,0,0,0|2,0,0]=4 2761 B15R2.1154 Cc1cc(ccc1Sc2ncco2)O 62a_100011787736_100000690111 [1,1,0,0,0,0|2,0,0]=4 2762 B15R2.1154 Cc1cc(ccc1Sc2nccs2)Br 62a_100000211983_100000701812 [1,1,0,0,0,0|2,0,0]=4 2763 B15R2.1154 Cc1cc(ccc1Sc2nccs2)Br 62a_100000701812_100000211983 [1,1,0,0,0,0|2,0,0]=4 2764 B15R2.1154 Cc1cc(ccc1Sc2nccs2)Cl 62a_100000211983_100011219607 [1,1,0,0,0,0|2,0,0]=4 2765 B15R2.1154 Cc1cc(ccc1Sc2nccs2)Cl 62a_100011219607_100000211983 [1,1,0,0,0,0|2,0,0]=4 2766 B15R2.1154 Cc1cc(ccc1Sc2nccs2)F 62a_100000211983_100011205405 [1,1,0,0,0,0|2,0,0]=4 2767 B15R2.1154 Cc1cc(ccc1Sc2nccs2)F 62a_100011205405_100000211983 [1,1,0,0,0,0|2,0,0]=4 2768 B15R2.1154 Cc1cc(ccc1Sc2nccs2)N 62a_100000210723_100000211983 [1,1,0,0,0,0|2,0,0]=4 2769 B15R2.1154 Cc1cc(ccc1Sc2nccs2)N 62a_100000211983_100000210723 [1,1,0,0,0,0|2,0,0]=4 2770 B15R2.1154 Cc1cc(ccc1Sc2nccs2)O 62a_100000211983_100000690111 [1,1,0,0,0,0|2,0,0]=4 2771 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)Br 62a_100012353652_100025796157 [1,1,0,0,0,0|2,0,0]=4 2772 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)Br 62a_100025796157_100012353652 [1,1,0,0,0,0|2,0,0]=4 2773 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)F 62a_100009817009_100025796157 [1,1,0,0,0,0|2,0,0]=4 2774 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)F 62a_100025796157_100009817009 [1,1,0,0,0,0|2,0,0]=4 2775 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)N 62a_100000761747_100025796157 [1,1,0,0,0,0|2,0,0]=4 2776 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)N 62a_100025796157_100000761747 [1,1,0,0,0,0|2,0,0]=4 2777 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)O 62a_100012000486_100025796157 [1,1,0,0,0,0|2,0,0]=4 2778 B15R2.1154 Cc1cc(cnc1Sc2ncc[nH]2)O 62a_100025796157_100012000486 [1,1,0,0,0,0|2,0,0]=4 2779 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)Br 62a_100009816104_100025796157 [1,1,0,0,0,0|2,0,0]=4 2780 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)Br 62a_100025796157_100009816104 [1,1,0,0,0,0|2,0,0]=4 2781 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)Cl 62a_100010172789_100025796157 [1,1,0,0,0,0|2,0,0]=4 2782 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)Cl 62a_100025796157_100010172789 [1,1,0,0,0,0|2,0,0]=4 2783 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)F 62a_100009820716_100025796157 [1,1,0,0,0,0|2,0,0]=4 2784 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)F 62a_100025796157_100009820716 [1,1,0,0,0,0|2,0,0]=4 2785 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)N 62a_100000050067_100025796157 [1,1,0,0,0,0|2,0,0]=4 2786 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)N 62a_100025796157_100000050067 [1,1,0,0,0,0|2,0,0]=4 2787 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)O 62a_100000766222_100025796157 [1,1,0,0,0,0|2,0,0]=4 2788 B15R2.1154 Cc1cc(ncc1Sc2ncc[nH]2)O 62a_100025796157_100000766222 [1,1,0,0,0,0|2,0,0]=4 2789 B15R2.1154 Cc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100009813563_100025796157 [1,1,0,0,0,0|2,0,0]=4 2790 B15R2.1154 Cc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100009813563 [1,1,0,0,0,0|2,0,0]=4 2791 B15R2.1154 Cc1ccc(c(c1)C)Sc2ncc[nH]2 62a_100011217332_100025796157 [1,1,0,0,0,0|1,0,0]=3 2792 B15R2.1154 Cc1ccc(c(c1)C)Sc2ncc[nH]2 62a_100025796157_100011217332 [1,1,0,0,0,0|1,0,0]=3 2793 B15R2.1154 Cc1ccc(c(c1)C)Sc2ncco2 62a_100011217332_100011787736 [1,1,0,0,0,0|2,0,0]=4 2794 B15R2.1154 Cc1ccc(c(c1)C)Sc2ncco2 62a_100011787736_100011217332 [1,1,0,0,0,0|2,0,0]=4 2795 B15R2.1154 Cc1ccc(c(c1)C)Sc2nccs2 62a_100000211983_100011217332 [1,1,0,0,0,0|2,0,0]=4 2796 B15R2.1154 Cc1ccc(c(c1)C)Sc2nccs2 62a_100011217332_100000211983 [1,1,0,0,0,0|2,0,0]=4 2797 B15R2.1154 Cc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100011263221_100025796157 [1,1,0,0,0,0|2,0,0]=4 2798 B15R2.1154 Cc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100011263221 [1,1,0,0,0,0|2,0,0]=4 2799 B15R2.1154 Cc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100011216119_100025796157 [1,1,0,0,0,0|2,0,0]=4 2800 B15R2.1154 Cc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100025796157_100011216119 [1,1,0,0,0,0|2,0,0]=4 2801 B15R2.1154 Cc1ccc(c(c1)N)Sc2ncc[nH]2 62a_100011216686_100025796157 [1,1,0,0,0,0|2,0,0]=4 2802 B15R2.1154 Cc1ccc(c(c1)N)Sc2ncc[nH]2 62a_100025796157_100011216686 [1,1,0,0,0,0|2,0,0]=4 2803 B15R2.1154 Cc1ccc(c(c1)O)Sc2ncc[nH]2 62a_100012002257_100025796157 [1,1,0,0,0,0|2,0,0]=4 2804 B15R2.1154 Cc1ccc(c(c1)O)Sc2ncc[nH]2 62a_100025796157_100012002257 [1,1,0,0,0,0|2,0,0]=4 2805 B15R2.1154 Cc1ccc(c(n1)C)Sc2ncc[nH]2 62a_100009813853_100025796157 [1,1,0,0,0,0|2,0,0]=4 2806 B15R2.1154 Cc1ccc(c(n1)C)Sc2ncc[nH]2 62a_100025796157_100009813853 [1,1,0,0,0,0|2,0,0]=4 2807 B15R2.1154 Cc1cnc(c(c1)C)Sc2ncc[nH]2 62a_100009864548_100025796157 [1,1,0,0,0,0|2,0,0]=4 2808 B15R2.1154 Cc1cnc(c(c1)C)Sc2ncc[nH]2 62a_100025796157_100009864548 [1,1,0,0,0,0|2,0,0]=4 2809 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)Cl 62a_100000062408_100025796157 [1,1,0,0,0,0|2,0,0]=4 2810 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)Cl 62a_100025796157_100000062408 [1,1,0,0,0,0|2,0,0]=4 2811 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)F 62a_100000688911_100025796157 [1,1,0,0,0,0|2,0,0]=4 2812 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)F 62a_100025796157_100000688911 [1,1,0,0,0,0|2,0,0]=4 2813 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)N 62a_100000187202_100025796157 [1,1,0,0,0,0|2,0,0]=4 2814 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)N 62a_100025796157_100000187202 [1,1,0,0,0,0|2,0,0]=4 2815 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)O 62a_100000691680_100025796157 [1,1,0,0,0,0|2,0,0]=4 2816 B15R2.1154 Cc1nc(ccc1Sc2ncc[nH]2)O 62a_100025796157_100000691680 [1,1,0,0,0,0|2,0,0]=4 2817 B15R2.1154 Clc1cc(ccc1Sc2ncc[nH]2)Br 62a_100011216062_100025796157 [1,1,0,0,0,0|2,0,0]=4 2818 B15R2.1154 Clc1cc(ccc1Sc2ncc[nH]2)Br 62a_100025796157_100011216062 [1,1,0,0,0,0|2,0,0]=4 2819 B15R2.1154 Clc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100011219703_100025796157 [1,1,0,0,0,0|2,0,0]=4 2820 B15R2.1154 Clc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100011219703 [1,1,0,0,0,0|2,0,0]=4 2821 B15R2.1154 Clc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100000699841_100025796157 [1,1,0,0,0,0|2,0,0]=4 2822 B15R2.1154 Clc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100000699841 [1,1,0,0,0,0|2,0,0]=4 2823 B15R2.1154 Fc1cc(ccc1Sc2ncc[nH]2)Br 62a_100009814013_100025796157 [1,1,0,0,0,0|2,0,0]=4 2824 B15R2.1154 Fc1cc(ccc1Sc2ncc[nH]2)Br 62a_100025796157_100009814013 [1,1,0,0,0,0|2,0,0]=4 2825 B15R2.1154 Fc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100011216042_100025796157 [1,1,0,0,0,0|2,0,0]=4 2826 B15R2.1154 Fc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100025796157_100011216042 [1,1,0,0,0,0|2,0,0]=4 2827 B15R2.1154 Fc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100011217111_100025796157 [1,1,0,0,0,0|2,0,0]=4 2828 B15R2.1154 Fc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100011217111 [1,1,0,0,0,0|2,0,0]=4 2829 B15R2.1154 Fc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100000733362_100025796157 [1,1,0,0,0,0|2,0,0]=4 2830 B15R2.1154 Fc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100000733362 [1,1,0,0,0,0|2,0,0]=4 2831 B15R2.1154 Fc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100000750030_100025796157 [1,1,0,0,0,0|2,0,0]=4 2832 B15R2.1154 Fc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100025796157_100000750030 [1,1,0,0,0,0|2,0,0]=4 2833 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)Br 62a_100000743836_100025796157 [1,1,0,0,0,0|2,0,0]=4 2834 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)Br 62a_100025796157_100000743836 [1,1,0,0,0,0|2,0,0]=4 2835 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100000761886_100025796157 [1,1,0,0,0,0|2,0,0]=4 2836 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100025796157_100000761886 [1,1,0,0,0,0|2,0,0]=4 2837 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)F 62a_100000687223_100025796157 [1,1,0,0,0,0|2,0,0]=4 2838 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)F 62a_100025796157_100000687223 [1,1,0,0,0,0|2,0,0]=4 2839 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)O 62a_100011999798_100025796157 [1,1,0,0,0,0|2,0,0]=4 2840 B15R2.1154 Nc1cc(ccc1Sc2ncc[nH]2)O 62a_100025796157_100011999798 [1,1,0,0,0,0|2,0,0]=4 2841 B15R2.1154 Nc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100000750458_100025796157 [1,1,0,0,0,0|2,0,0]=4 2842 B15R2.1154 Nc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100000750458 [1,1,0,0,0,0|2,0,0]=4 2843 B15R2.1154 Nc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100000761885_100025796157 [1,1,0,0,0,0|2,0,0]=4 2844 B15R2.1154 Nc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100000761885 [1,1,0,0,0,0|2,0,0]=4 2845 B15R2.1154 Nc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100011356925_100025796157 [1,1,0,0,0,0|2,0,0]=4 2846 B15R2.1154 Nc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100025796157_100011356925 [1,1,0,0,0,0|2,0,0]=4 2847 B15R2.1154 Nc1ccc(c(c1)N)Sc2ncc[nH]2 62a_100025796157_200012175722 [1,1,0,0,0,0|2,0,0]=4 2848 B15R2.1154 Nc1ccc(c(c1)N)Sc2ncc[nH]2 62a_200012175722_100025796157 [1,1,0,0,0,0|2,0,0]=4 2849 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)Br 62a_100012344904_100025796157 [1,1,0,0,0,0|2,0,0]=4 2850 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)Br 62a_100025796157_100012344904 [1,1,0,0,0,0|2,0,0]=4 2851 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100000050036_100025796157 [1,1,0,0,0,0|2,0,0]=4 2852 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)Cl 62a_100025796157_100000050036 [1,1,0,0,0,0|2,0,0]=4 2853 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)F 62a_100000690578_100025796157 [1,1,0,0,0,0|2,0,0]=4 2854 B15R2.1154 Oc1cc(ccc1Sc2ncc[nH]2)F 62a_100025796157_100000690578 [1,1,0,0,0,0|2,0,0]=4 2855 B15R2.1154 Oc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100000701344_100025796157 [1,1,0,0,0,0|2,0,0]=4 2856 B15R2.1154 Oc1ccc(c(c1)Br)Sc2ncc[nH]2 62a_100025796157_100000701344 [1,1,0,0,0,0|2,0,0]=4 2857 B15R2.1154 Oc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100000047559_100025796157 [1,1,0,0,0,0|2,0,0]=4 2858 B15R2.1154 Oc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100000047559 [1,1,0,0,0,0|2,0,0]=4 2859 B15R2.1154 Oc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100000755031_100025796157 [1,1,0,0,0,0|2,0,0]=4 2860 B15R2.1154 Oc1ccc(c(c1)F)Sc2ncc[nH]2 62a_100025796157_100000755031 [1,1,0,0,0,0|2,0,0]=4 2861 B15R2.1154 Oc1ccc(c(c1)O)Sc2ncc[nH]2 62a_100025796157_100009813921 [1,1,0,0,0,0|2,0,0]=4 2862 B15R2.7567 Brc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100011483371_100025796157 [1,1,0,0,0,0|2,0,0]=4 2863 B15R2.7567 Brc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100011483371 [1,1,0,0,0,0|2,0,0]=4 2864 B15R2.7567 Cc1cc(c(cn1)C)Sc2ncc[nH]2 62a_100009862788_100025796157 [1,1,0,0,0,0|2,0,0]=4 2865 B15R2.7567 Cc1cc(c(cn1)C)Sc2ncc[nH]2 62a_100025796157_100009862788 [1,1,0,0,0,0|2,0,0]=4 2866 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100012353751_100025796157 [1,1,0,0,0,0|2,0,0]=4 2867 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100012353751 [1,1,0,0,0,0|2,0,0]=4 2868 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)C 62a_100000210833_100025796157 [1,1,0,0,0,0|1,0,0]=3 2869 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)C 62a_100025796157_100000210833 [1,1,0,0,0,0|1,0,0]=3 2870 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100012356289_100025796157 [1,1,0,0,0,0|2,0,0]=4 2871 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100025796157_100012356289 [1,1,0,0,0,0|2,0,0]=4 2872 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100000736223_100025796157 [1,1,0,0,0,0|2,0,0]=4 2873 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100025796157_100000736223 [1,1,0,0,0,0|2,0,0]=4 2874 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)N 62a_100011356834_100025796157 [1,1,0,0,0,0|2,0,0]=4 2875 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)N 62a_100025796157_100011356834 [1,1,0,0,0,0|2,0,0]=4 2876 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)O 62a_100000765521_100025796157 [1,1,0,0,0,0|2,0,0]=4 2877 B15R2.7567 Cc1ccc(c(c1)Sc2ncc[nH]2)O 62a_100025796157_100000765521 [1,1,0,0,0,0|2,0,0]=4 2878 B15R2.7567 Cc1ccc(c(c1)Sc2ncco2)C 62a_100000210833_100011787736 [1,1,0,0,0,0|2,0,0]=4 2879 B15R2.7567 Cc1ccc(c(c1)Sc2ncco2)C 62a_100011787736_100000210833 [1,1,0,0,0,0|2,0,0]=4 2880 B15R2.7567 Cc1ccc(c(c1)Sc2nccs2)C 62a_100000210833_100000211983 [1,1,0,0,0,0|2,0,0]=4 2881 B15R2.7567 Cc1ccc(c(c1)Sc2nccs2)C 62a_100000211983_100000210833 [1,1,0,0,0,0|2,0,0]=4 2882 B15R2.7567 Cc1ccc(c(n1)Sc2ncc[nH]2)C 62a_100009854376_100025796157 [1,1,0,0,0,0|2,0,0]=4 2883 B15R2.7567 Cc1ccc(c(n1)Sc2ncc[nH]2)C 62a_100025796157_100009854376 [1,1,0,0,0,0|2,0,0]=4 2884 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)Br 62a_100011344865_100025796157 [1,1,0,0,0,0|1,0,0]=3 2885 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100011344865 [1,1,0,0,0,0|1,0,0]=3 2886 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100011263213_100025796157 [1,1,0,0,0,0|1,0,0]=3 2887 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100025796157_100011263213 [1,1,0,0,0,0|1,0,0]=3 2888 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)F 62a_100011218078_100025796157 [1,1,0,0,0,0|1,0,0]=3 2889 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)F 62a_100025796157_100011218078 [1,1,0,0,0,0|1,0,0]=3 2890 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)N 62a_100000736455_100025796157 [1,1,0,0,0,0|1,0,0]=3 2891 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)N 62a_100025796157_100000736455 [1,1,0,0,0,0|1,0,0]=3 2892 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)O 62a_100011380479_100025796157 [1,1,0,0,0,0|1,0,0]=3 2893 B15R2.7567 Cc1ccc(cc1Sc2ncc[nH]2)O 62a_100025796157_100011380479 [1,1,0,0,0,0|1,0,0]=3 2894 B15R2.7567 Cc1ccc(cc1Sc2ncco2)Br 62a_100011344865_100011787736 [1,1,0,0,0,0|2,0,0]=4 2895 B15R2.7567 Cc1ccc(cc1Sc2ncco2)Br 62a_100011787736_100011344865 [1,1,0,0,0,0|2,0,0]=4 2896 B15R2.7567 Cc1ccc(cc1Sc2ncco2)Cl 62a_100011263213_100011787736 [1,1,0,0,0,0|2,0,0]=4 2897 B15R2.7567 Cc1ccc(cc1Sc2ncco2)Cl 62a_100011787736_100011263213 [1,1,0,0,0,0|2,0,0]=4 2898 B15R2.7567 Cc1ccc(cc1Sc2ncco2)F 62a_100011218078_100011787736 [1,1,0,0,0,0|2,0,0]=4 2899 B15R2.7567 Cc1ccc(cc1Sc2ncco2)F 62a_100011787736_100011218078 [1,1,0,0,0,0|2,0,0]=4 2900 B15R2.7567 Cc1ccc(cc1Sc2ncco2)N 62a_100000736455_100011787736 [1,1,0,0,0,0|2,0,0]=4 2901 B15R2.7567 Cc1ccc(cc1Sc2ncco2)N 62a_100011787736_100000736455 [1,1,0,0,0,0|2,0,0]=4 2902 B15R2.7567 Cc1ccc(cc1Sc2ncco2)O 62a_100011380479_100011787736 [1,1,0,0,0,0|2,0,0]=4 2903 B15R2.7567 Cc1ccc(cc1Sc2ncco2)O 62a_100011787736_100011380479 [1,1,0,0,0,0|2,0,0]=4 2904 B15R2.7567 Cc1ccc(cc1Sc2nccs2)Br 62a_100000211983_100011344865 [1,1,0,0,0,0|2,0,0]=4 2905 B15R2.7567 Cc1ccc(cc1Sc2nccs2)Br 62a_100011344865_100000211983 [1,1,0,0,0,0|2,0,0]=4 2906 B15R2.7567 Cc1ccc(cc1Sc2nccs2)Cl 62a_100000211983_100011263213 [1,1,0,0,0,0|2,0,0]=4 2907 B15R2.7567 Cc1ccc(cc1Sc2nccs2)Cl 62a_100011263213_100000211983 [1,1,0,0,0,0|2,0,0]=4 2908 B15R2.7567 Cc1ccc(cc1Sc2nccs2)F 62a_100000211983_100011218078 [1,1,0,0,0,0|2,0,0]=4 2909 B15R2.7567 Cc1ccc(cc1Sc2nccs2)F 62a_100011218078_100000211983 [1,1,0,0,0,0|2,0,0]=4 2910 B15R2.7567 Cc1ccc(cc1Sc2nccs2)N 62a_100000211983_100000736455 [1,1,0,0,0,0|2,0,0]=4 2911 B15R2.7567 Cc1ccc(cc1Sc2nccs2)N 62a_100000736455_100000211983 [1,1,0,0,0,0|2,0,0]=4 2912 B15R2.7567 Cc1ccc(cc1Sc2nccs2)O 62a_100000211983_100011380479 [1,1,0,0,0,0|2,0,0]=4 2913 B15R2.7567 Cc1ccc(cc1Sc2nccs2)O 62a_100011380479_100000211983 [1,1,0,0,0,0|2,0,0]=4 2914 B15R2.7567 Cc1ccc(nc1Sc2ncc[nH]2)N 62a_100000126722_100025796157 [1,1,0,0,0,0|2,0,0]=4 2915 B15R2.7567 Cc1ccc(nc1Sc2ncc[nH]2)N 62a_100025796157_100000126722 [1,1,0,0,0,0|2,0,0]=4 2916 B15R2.7567 Cc1cnc(c(c1)Sc2ncc[nH]2)C 62a_100009817436_100025796157 [1,1,0,0,0,0|2,0,0]=4 2917 B15R2.7567 Cc1cnc(c(c1)Sc2ncc[nH]2)C 62a_100025796157_100009817436 [1,1,0,0,0,0|2,0,0]=4 2918 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)Br 62a_100010067628_100025796157 [1,1,0,0,0,0|2,0,0]=4 2919 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100010067628 [1,1,0,0,0,0|2,0,0]=4 2920 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)Cl 62a_100010068021_100025796157 [1,1,0,0,0,0|2,0,0]=4 2921 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)Cl 62a_100025796157_100010068021 [1,1,0,0,0,0|2,0,0]=4 2922 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)F 62a_100000049870_100025796157 [1,1,0,0,0,0|2,0,0]=4 2923 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)F 62a_100025796157_100000049870 [1,1,0,0,0,0|2,0,0]=4 2924 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)N 62a_100009819938_100025796157 [1,1,0,0,0,0|2,0,0]=4 2925 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)N 62a_100025796157_100009819938 [1,1,0,0,0,0|2,0,0]=4 2926 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)O 62a_100009831917_100025796157 [1,1,0,0,0,0|2,0,0]=4 2927 B15R2.7567 Cc1cnc(cc1Sc2ncc[nH]2)O 62a_100025796157_100009831917 [1,1,0,0,0,0|2,0,0]=4 2928 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)Br 62a_100025796157_200010090566 [1,1,0,0,0,0|2,0,0]=4 2929 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)Br 62a_200010090566_100025796157 [1,1,0,0,0,0|2,0,0]=4 2930 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)F 62a_100009860710_100025796157 [1,1,0,0,0,0|2,0,0]=4 2931 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)F 62a_100025796157_100009860710 [1,1,0,0,0,0|2,0,0]=4 2932 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)N 62a_100011998591_100025796157 [1,1,0,0,0,0|2,0,0]=4 2933 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)N 62a_100025796157_100011998591 [1,1,0,0,0,0|2,0,0]=4 2934 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)O 62a_100009819603_100025796157 [1,1,0,0,0,0|2,0,0]=4 2935 B15R2.7567 Cc1ncc(cc1Sc2ncc[nH]2)O 62a_100025796157_100009819603 [1,1,0,0,0,0|2,0,0]=4 2936 B15R2.7567 Clc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100012339723_100025796157 [1,1,0,0,0,0|2,0,0]=4 2937 B15R2.7567 Clc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100012339723 [1,1,0,0,0,0|2,0,0]=4 2938 B15R2.7567 Clc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100000707729_100025796157 [1,1,0,0,0,0|2,0,0]=4 2939 B15R2.7567 Clc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100025796157_100000707729 [1,1,0,0,0,0|2,0,0]=4 2940 B15R2.7567 Clc1ccc(cc1Sc2ncc[nH]2)Br 62a_100011772130_100025796157 [1,1,0,0,0,0|2,0,0]=4 2941 B15R2.7567 Clc1ccc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100011772130 [1,1,0,0,0,0|2,0,0]=4 2942 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100011217576_100025796157 [1,1,0,0,0,0|2,0,0]=4 2943 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100011217576 [1,1,0,0,0,0|2,0,0]=4 2944 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100011217299_100025796157 [1,1,0,0,0,0|2,0,0]=4 2945 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100025796157_100011217299 [1,1,0,0,0,0|2,0,0]=4 2946 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100011219198_100025796157 [1,1,0,0,0,0|2,0,0]=4 2947 B15R2.7567 Fc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100025796157_100011219198 [1,1,0,0,0,0|2,0,0]=4 2948 B15R2.7567 Fc1ccc(cc1Sc2ncc[nH]2)Br 62a_100011217312_100025796157 [1,1,0,0,0,0|2,0,0]=4 2949 B15R2.7567 Fc1ccc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100011217312 [1,1,0,0,0,0|2,0,0]=4 2950 B15R2.7567 Fc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100011218116_100025796157 [1,1,0,0,0,0|2,0,0]=4 2951 B15R2.7567 Fc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100025796157_100011218116 [1,1,0,0,0,0|2,0,0]=4 2952 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100000750459_100025796157 [1,1,0,0,0,0|2,0,0]=4 2953 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100000750459 [1,1,0,0,0,0|2,0,0]=4 2954 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100012360549_100025796157 [1,1,0,0,0,0|2,0,0]=4 2955 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100025796157_100012360549 [1,1,0,0,0,0|2,0,0]=4 2956 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100000760356_100025796157 [1,1,0,0,0,0|2,0,0]=4 2957 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100025796157_100000760356 [1,1,0,0,0,0|2,0,0]=4 2958 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)N 62a_100011534242_100025796157 [1,1,0,0,0,0|2,0,0]=4 2959 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)N 62a_100025796157_100011534242 [1,1,0,0,0,0|2,0,0]=4 2960 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)O 62a_100011534360_100025796157 [1,1,0,0,0,0|2,0,0]=4 2961 B15R2.7567 Nc1ccc(c(c1)Sc2ncc[nH]2)O 62a_100025796157_100011534360 [1,1,0,0,0,0|2,0,0]=4 2962 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)Br 62a_100000187925_100025796157 [1,1,0,0,0,0|2,0,0]=4 2963 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100000187925 [1,1,0,0,0,0|2,0,0]=4 2964 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100000761889_100025796157 [1,1,0,0,0,0|2,0,0]=4 2965 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100025796157_100000761889 [1,1,0,0,0,0|2,0,0]=4 2966 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)F 62a_100000760547_100025796157 [1,1,0,0,0,0|2,0,0]=4 2967 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)F 62a_100025796157_100000760547 [1,1,0,0,0,0|2,0,0]=4 2968 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)O 62a_100012001276_100025796157 [1,1,0,0,0,0|2,0,0]=4 2969 B15R2.7567 Nc1ccc(cc1Sc2ncc[nH]2)O 62a_100025796157_100012001276 [1,1,0,0,0,0|2,0,0]=4 2970 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100012339312_100025796157 [1,1,0,0,0,0|2,0,0]=4 2971 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)Br 62a_100025796157_100012339312 [1,1,0,0,0,0|2,0,0]=4 2972 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100000049588_100025796157 [1,1,0,0,0,0|2,0,0]=4 2973 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)Cl 62a_100025796157_100000049588 [1,1,0,0,0,0|2,0,0]=4 2974 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100000693481_100025796157 [1,1,0,0,0,0|2,0,0]=4 2975 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)F 62a_100025796157_100000693481 [1,1,0,0,0,0|2,0,0]=4 2976 B15R2.7567 Oc1ccc(c(c1)Sc2ncc[nH]2)O 62a_100025796157_100009813629 [1,1,0,0,0,0|2,0,0]=4 2977 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)Br 62a_100012355227_100025796157 [1,1,0,0,0,0|2,0,0]=4 2978 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)Br 62a_100025796157_100012355227 [1,1,0,0,0,0|2,0,0]=4 2979 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100011356953_100025796157 [1,1,0,0,0,0|2,0,0]=4 2980 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)Cl 62a_100025796157_100011356953 [1,1,0,0,0,0|2,0,0]=4 2981 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)F 62a_100000211999_100025796157 [1,1,0,0,0,0|2,0,0]=4 2982 B15R2.7567 Oc1ccc(cc1Sc2ncc[nH]2)F 62a_100025796157_100000211999 [1,1,0,0,0,0|2,0,0]=4 2983 B15R2.2493 CCc1cccc(c1c2cc[nH]n2)C 271570a_100000062414_100000036235 [0,1,0,0,1,0|2,0,0]=4 2984 B15R2.2493 CCc1cccc(c1c2ccco2)C 271570a_100000750936_100000036235 [0,1,0,0,1,0|2,0,0]=4 2985 B15R2.2493 CCc1cccc(c1c2cccs2)C 271570a_100000742291_100000036235 [0,1,0,0,1,0|2,0,0]=4 2986 B15R2.2493 CCc1cccc(c1c2ncc[nH]2)C 271570a_100016988920_100000036235 [0,1,0,0,1,0|0,0,0]=2 2987 B15R2.2493 COc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010131421 [0,1,0,0,1,0|1,0,0]=3 2988 B15R2.2493 COc1cccc(c1c2ncc[nH]2)Cl 271570a_100000049456_100025796157 [0,1,0,0,1,0|1,0,0]=3 2989 B15R2.2493 COc1cccc(c1c2ncc[nH]2)F 271570a_100010082979_100025796157 [0,1,0,0,1,0|1,0,0]=3 2990 B15R2.2493 COc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100000041735 [0,1,0,0,1,0|1,0,0]=3 2991 B15R2.2493 COc1cccc(c1c2ncc[nH]2)N 271570a_100016988920_100000703447 [0,1,0,0,1,0|1,0,0]=3 2992 B15R2.2493 COc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100010202623 [0,1,0,0,1,0|1,0,0]=3 2993 B15R2.2493 COc1cccc(c1c2ncco2)Cl 271570a_100000049456_100011787736 [0,1,0,0,1,0|2,0,0]=4 2994 B15R2.2493 COc1cccc(c1c2ncco2)F 271570a_100010082979_100011787736 [0,1,0,0,1,0|2,0,0]=4 2995 B15R2.2493 COc1cccc(c1c2nccs2)Cl 271570a_100000049456_100000211983 [0,1,0,0,1,0|2,0,0]=4 2996 B15R2.2493 COc1cccc(c1c2nccs2)F 271570a_100010082979_100000211983 [0,1,0,0,1,0|2,0,0]=4 2997 B15R2.2493 COc1nccc(c1c2ncc[nH]2)C 271570a_100010082537_100025796157 [0,1,0,0,1,0|1,0,0]=3 2998 B15R2.2493 COc1nccc(c1c2ncc[nH]2)C 271570a_100016988920_100012353928 [0,1,0,0,1,0|1,0,0]=3 2999 B15R2.2493 COc1nccc(c1c2ncc[nH]2)N 271570a_100016988920_100010243811 [0,1,0,0,1,0|2,0,0]=4 3000 B15R2.2493 COc1nccc(c1c2ncco2)C 271570a_100010082537_100011787736 [0,1,0,0,1,0|2,0,0]=4 3001 B15R2.2493 COc1nccc(c1c2nccs2)C 271570a_100010082537_100000211983 [0,1,0,0,1,0|2,0,0]=4 3002 B15R2.2493 COc1ncnc(c1c2ncc[nH]2)C 271570a_100016988920_100010110394 [0,1,0,0,1,0|2,0,0]=4 3003 B15R2.2493 Cc1cccc(c1c2cc[nH]n2)CO 271570a_100000062414_100011659289 [0,1,0,0,1,0|2,0,0]=4 3004 B15R2.2493 Cc1cccc(c1c2ccco2)CO 271570a_100000750936_100011659289 [0,1,0,0,1,0|2,0,0]=4 3005 B15R2.2493 Cc1cccc(c1c2cccs2)CO 271570a_100000742291_100011659289 [0,1,0,0,1,0|2,0,0]=4 3006 B15R2.2493 Cc1cccc(c1c2ncc[nH]2)C#N 271570a_100016988920_100011934862 [0,1,0,0,1,0|0,0,1]=3 3007 B15R2.2493 Cc1cccc(c1c2ncc[nH]2)CO 271570a_100016988920_100011659289 [0,1,0,0,1,0|0,0,0]=2 3008 B15R2.2493 Cc1ccnc(c1c2ncc[nH]2)C#N 271570a_100016988920_100009878727 [0,1,0,0,1,0|1,0,1]=4 3009 B15R2.2493 N#Cc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100000703783 [0,1,0,0,1,0|1,0,1]=4 3010 B15R2.2493 N#Cc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100010134094 [0,1,0,0,1,0|1,0,1]=4 3011 B15R2.2493 N#Cc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100011219237 [0,1,0,0,1,0|1,0,1]=4 3012 B15R2.2493 N#Cc1cccc(c1c2ncc[nH]2)N 271570a_100016988920_100009877206 [0,1,0,0,1,0|1,0,1]=4 3013 B15R2.2493 N#Cc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100009818990 [0,1,0,0,1,0|1,0,1]=4 3014 B15R2.2493 O=Cc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100011998484 [0,1,0,0,1,0|1,0,1]=4 3015 B15R2.2493 O=Cc1cccc(c1c2ncc[nH]2)O 271570a_100016988920_100009816417 [0,1,0,0,1,0|1,0,1]=4 3016 B15R2.2493 OCc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010146604 [0,1,0,0,1,0|1,0,0]=3 3017 B15R2.2493 OCc1cccc(c1c2ncc[nH]2)F 271570a_100016988920_100000692438 [0,1,0,0,1,0|1,0,0]=3 3018 B15R2.4201 Cc1cc(c(c(c1)Br)c2ncc[nH]2)Br 271570a_100016988920_200011219743 [0,1,0,0,1,0|2,0,0]=4 3019 B15R2.4201 Cc1cc(c(c(c1)Br)c2ncc[nH]2)C 271570a_100016988920_200012353697 [0,1,0,0,1,0|1,0,0]=3 3020 B15R2.4201 Cc1cc(c(c(c1)Br)c2ncc[nH]2)F 271570a_100016988920_100010208195 [0,1,0,0,1,0|2,0,0]=4 3021 B15R2.4201 Cc1cc(c(c(c1)C)c2c[nH]cn2)C 271570a_100011216421_100000756875 [0,1,0,0,1,0|2,0,0]=4 3022 B15R2.4201 Cc1cc(c(c(c1)C)c2cc[nH]n2)C 271570a_100000062414_100011204320 [0,1,0,0,1,0|2,0,0]=4 3023 B15R2.4201 Cc1cc(c(c(c1)C)c2cc[nH]n2)C 271570a_100011216421_100000062575 [0,1,0,0,1,0|2,0,0]=4 3024 B15R2.4201 Cc1cc(c(c(c1)C)c2ccco2)C 271570a_100000750936_100011204320 [0,1,0,0,1,0|2,0,0]=4 3025 B15R2.4201 Cc1cc(c(c(c1)C)c2ccco2)C 271570a_100011216421_100009814098 [0,1,0,0,1,0|2,0,0]=4 3026 B15R2.4201 Cc1cc(c(c(c1)C)c2cccs2)C 271570a_100000742291_100011204320 [0,1,0,0,1,0|2,0,0]=4 3027 B15R2.4201 Cc1cc(c(c(c1)C)c2cccs2)C 271570a_100011216421_100011215356 [0,1,0,0,1,0|2,0,0]=4 3028 B15R2.4201 Cc1cc(c(c(c1)C)c2ccsn2)C 271570a_100011216421_100009818082 [0,1,0,0,1,0|2,0,0]=4 3029 B15R2.4201 Cc1cc(c(c(c1)C)c2cscn2)C 271570a_100011216421_100000751502 [0,1,0,0,1,0|2,0,0]=4 3030 B15R2.4201 Cc1cc(c(c(c1)C)c2nc[nH]n2)C 271570a_100011216421_100000761765 [0,1,0,0,1,0|1,0,1]=4 3031 B15R2.4201 Cc1cc(c(c(c1)C)c2ncc[nH]2)C 271570a_100011216421_100025796157 [0,1,0,0,1,0|0,0,0]=2 3032 B15R2.4201 Cc1cc(c(c(c1)C)c2ncc[nH]2)C 271570a_100016988920_100011204320 [0,1,0,0,1,0|0,0,0]=2 3033 B15R2.4201 Cc1cc(c(c(c1)C)c2ncco2)C 271570a_100011216421_100011787736 [0,1,0,0,1,0|1,0,0]=3 3034 B15R2.4201 Cc1cc(c(c(c1)C)c2nccs2)C 271570a_100011216421_100000211983 [0,1,0,0,1,0|1,0,0]=3 3035 B15R2.4201 Cc1cc(c(c(c1)C)c2ncns2)C 271570a_100011216421_100000693119 [0,1,0,0,1,0|2,0,0]=4 3036 B15R2.4201 Cc1cc(c(c(c1)C)c2nncs2)C 271570a_100011216421_100000739804 [0,1,0,0,1,0|2,0,0]=4 3037 B15R2.4201 Cc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100010233845_100025796157 [0,1,0,0,1,0|2,0,0]=4 3038 B15R2.4201 Cc1cc(c(c(c1)F)c2ncc[nH]2)F 271570a_100016988920_100015306127 [0,1,0,0,1,0|2,0,0]=4 3039 B15R2.4201 Cc1cc(c(c(c1)F)c2ncc[nH]2)N 271570a_100016988920_100021129147 [0,1,0,0,1,0|2,0,0]=4 3040 B15R2.4201 Cc1cc(c(c(c1)O)c2ncc[nH]2)C 271570a_100010391161_100025796157 [0,1,0,0,1,0|1,0,0]=3 3041 B15R2.4201 Cc1cc(c(c(c1)O)c2ncc[nH]2)C 271570a_100016988920_100010342985 [0,1,0,0,1,0|1,0,0]=3 3042 B15R2.4201 Cc1cc(c(c(c1)O)c2ncco2)C 271570a_100010391161_100011787736 [0,1,0,0,1,0|2,0,0]=4 3043 B15R2.4201 Cc1cc(c(c(c1)O)c2nccs2)C 271570a_100010391161_100000211983 [0,1,0,0,1,0|2,0,0]=4 3044 B15R2.4201 Cc1cc(c(c(n1)C)c2ncc[nH]2)N 271570a_100016988920_100010261885 [0,1,0,0,1,0|2,0,0]=4 3045 B15R2.4201 Cc1cc(cc(c1c2c[nH]cn2)C)F 271570a_100013316015_100000756875 [0,1,0,0,1,0|2,0,0]=4 3046 B15R2.4201 Cc1cc(cc(c1c2cc[nH]n2)C)Br 271570a_100000062414_100009814048 [0,1,0,0,1,0|2,0,0]=4 3047 B15R2.4201 Cc1cc(cc(c1c2cc[nH]n2)C)Cl 271570a_100000062414_100010244930 [0,1,0,0,1,0|2,0,0]=4 3048 B15R2.4201 Cc1cc(cc(c1c2cc[nH]n2)C)F 271570a_100000062414_100012356666 [0,1,0,0,1,0|2,0,0]=4 3049 B15R2.4201 Cc1cc(cc(c1c2cc[nH]n2)C)F 271570a_100013316015_100000062575 [0,1,0,0,1,0|2,0,0]=4 3050 B15R2.4201 Cc1cc(cc(c1c2cc[nH]n2)C)O 271570a_100000062414_100000243743 [0,1,0,0,1,0|2,0,0]=4 3051 B15R2.4201 Cc1cc(cc(c1c2ccco2)C)Br 271570a_100000750936_100009814048 [0,1,0,0,1,0|2,0,0]=4 3052 B15R2.4201 Cc1cc(cc(c1c2ccco2)C)Cl 271570a_100000750936_100010244930 [0,1,0,0,1,0|2,0,0]=4 3053 B15R2.4201 Cc1cc(cc(c1c2ccco2)C)F 271570a_100000750936_100012356666 [0,1,0,0,1,0|2,0,0]=4 3054 B15R2.4201 Cc1cc(cc(c1c2ccco2)C)F 271570a_100013316015_100009814098 [0,1,0,0,1,0|2,0,0]=4 3055 B15R2.4201 Cc1cc(cc(c1c2ccco2)C)O 271570a_100000750936_100000243743 [0,1,0,0,1,0|2,0,0]=4 3056 B15R2.4201 Cc1cc(cc(c1c2cccs2)C)Br 271570a_100000742291_100009814048 [0,1,0,0,1,0|2,0,0]=4 3057 B15R2.4201 Cc1cc(cc(c1c2cccs2)C)Cl 271570a_100000742291_100010244930 [0,1,0,0,1,0|2,0,0]=4 3058 B15R2.4201 Cc1cc(cc(c1c2cccs2)C)F 271570a_100000742291_100012356666 [0,1,0,0,1,0|2,0,0]=4 3059 B15R2.4201 Cc1cc(cc(c1c2cccs2)C)F 271570a_100013316015_100011215356 [0,1,0,0,1,0|2,0,0]=4 3060 B15R2.4201 Cc1cc(cc(c1c2cccs2)C)O 271570a_100000742291_100000243743 [0,1,0,0,1,0|2,0,0]=4 3061 B15R2.4201 Cc1cc(cc(c1c2ccsn2)C)F 271570a_100013316015_100009818082 [0,1,0,0,1,0|2,0,0]=4 3062 B15R2.4201 Cc1cc(cc(c1c2cscn2)C)F 271570a_100013316015_100000751502 [0,1,0,0,1,0|2,0,0]=4 3063 B15R2.4201 Cc1cc(cc(c1c2nc[nH]n2)C)F 271570a_100013316015_100000761765 [0,1,0,0,1,0|1,0,1]=4 3064 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)Br)F 271570a_100016988920_100010208209 [0,1,0,0,1,0|1,0,0]=3 3065 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)Br 271570a_100016988920_100009814048 [0,1,0,0,1,0|0,0,0]=2 3066 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)Cl 271570a_100016988920_100010244930 [0,1,0,0,1,0|0,0,0]=2 3067 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)F 271570a_100013316015_100025796157 [0,1,0,0,1,0|0,0,0]=2 3068 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)F 271570a_100016988920_100012356666 [0,1,0,0,1,0|0,0,0]=2 3069 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)C)O 271570a_100016988920_100000243743 [0,1,0,0,1,0|0,0,0]=2 3070 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)Cl)Cl 271570a_100016988920_200000035511 [0,1,0,0,1,0|1,0,0]=3 3071 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)Cl)F 271570a_100016988920_100010079234 [0,1,0,0,1,0|1,0,0]=3 3072 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)N)Cl 271570a_100016988920_100000698757 [0,1,0,0,1,0|1,0,0]=3 3073 B15R2.4201 Cc1cc(cc(c1c2ncc[nH]2)O)Cl 271570a_100016988920_100010254216 [0,1,0,0,1,0|1,0,0]=3 3074 B15R2.4201 Cc1cc(cc(c1c2ncco2)C)F 271570a_100013316015_100011787736 [0,1,0,0,1,0|1,0,0]=3 3075 B15R2.4201 Cc1cc(cc(c1c2nccs2)C)F 271570a_100013316015_100000211983 [0,1,0,0,1,0|1,0,0]=3 3076 B15R2.4201 Cc1cc(cc(c1c2ncns2)C)F 271570a_100013316015_100000693119 [0,1,0,0,1,0|2,0,0]=4 3077 B15R2.4201 Cc1cc(cc(c1c2nncs2)C)F 271570a_100013316015_100000739804 [0,1,0,0,1,0|2,0,0]=4 3078 B15R2.4201 Cc1cc(nc(c1c2ncc[nH]2)C)N 271570a_100016988920_100000699364 [0,1,0,0,1,0|1,0,0]=3 3079 B15R2.4201 Cc1nc(nc(c1c2ncc[nH]2)C)N 271570a_100016988920_100009814254 [0,1,0,0,1,0|2,0,0]=4 3080 B15R2.4201 Clc1cc(c(c(c1)Br)c2ncc[nH]2)Cl 271570a_100016988920_200009992027 [0,1,0,0,1,0|2,0,0]=4 3081 B15R2.4201 Clc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_200011216440 [0,1,0,0,1,0|2,0,0]=4 3082 B15R2.4201 Clc1cc(cc(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_200011263224 [0,1,0,0,1,0|2,0,0]=4 3083 B15R2.4201 Fc1cc(c(c(c1)Br)c2ncc[nH]2)Br 271570a_100016988920_100009813983 [0,1,0,0,1,0|2,0,0]=4 3084 B15R2.4201 Fc1cc(c(c(c1)Br)c2ncc[nH]2)Cl 271570a_100016988920_100012356682 [0,1,0,0,1,0|2,0,0]=4 3085 B15R2.4201 Fc1cc(c(c(c1)Br)c2ncc[nH]2)F 271570a_100016988920_100000720994 [0,1,0,0,1,0|2,0,0]=4 3086 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100000722820_100025796157 [0,1,0,0,1,0|2,0,0]=4 3087 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_100010175091 [0,1,0,0,1,0|2,0,0]=4 3088 B15R2.4201 Fc1cc(c(c(c1)F)c2ncc[nH]2)F 271570a_100011216304_100025796157 [0,1,0,0,1,0|2,0,0]=4 3089 B15R2.4201 Fc1cc(c(c(c1)F)c2ncc[nH]2)F 271570a_100016988920_100000243675 [0,1,0,0,1,0|2,0,0]=4 3090 B15R2.4201 Fc1cc(cc(c1c2ncc[nH]2)Br)Br 271570a_100016988920_100000708766 [0,1,0,0,1,0|2,0,0]=4 3091 B15R2.4201 Fc1cc(cc(c1c2ncc[nH]2)Br)Cl 271570a_100016988920_100009993495 [0,1,0,0,1,0|2,0,0]=4 3092 B15R2.4201 Fc1cc(cc(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_100010212234 [0,1,0,0,1,0|2,0,0]=4 3093 B15R2.4201 Fc1cc(cc(c1c2ncc[nH]2)F)Br 271570a_100010886378_100025796157 [0,1,0,0,1,0|2,0,0]=4 3094 B15R2.4201 Fc1cc(cc(c1c2ncc[nH]2)F)Br 271570a_100016988920_100009813614 [0,1,0,0,1,0|2,0,0]=4 3095 B15R2.4201 Nc1cc(c(c(c1)Cl)c2ncc[nH]2)F 271570a_100016988920_100014833993 [0,1,0,0,1,0|2,0,0]=4 3096 B15R2.4201 Nc1cc(cc(c1c2ncc[nH]2)Br)F 271570a_100016988920_200010740111 [0,1,0,0,1,0|2,0,0]=4 3097 B15R2.4201 Nc1cc(cc(c1c2ncc[nH]2)F)Cl 271570a_100016988920_200021297760 [0,1,0,0,1,0|2,0,0]=4 3098 B15R2.4201 Nc1cc(cc(c1c2ncc[nH]2)F)F 271570a_100016988920_100000716482 [0,1,0,0,1,0|2,0,0]=4 3099 B15R2.4201 Oc1cc(c(c(c1)F)c2ncc[nH]2)F 271570a_100010390980_100025796157 [0,1,0,0,1,0|2,0,0]=4 3100 B15R2.4201 Oc1cc(c(c(c1)F)c2ncc[nH]2)F 271570a_100016988920_100010219129 [0,1,0,0,1,0|2,0,0]=4 3101 B15R2.4201 Oc1cc(c(c(c1)O)c2ncc[nH]2)O 271570a_100016988920_200010341185 [0,1,0,0,1,0|2,0,0]=4 3102 B15R2.4201 Oc1cc(cc(c1c2ncc[nH]2)F)F 271570a_100016988920_100009815984 [0,1,0,0,1,0|2,0,0]=4 3103 B15R2.6956 Cc1c[nH]c(n1)c2c(cccc2F)C 271570a_100010391573_100161115468 [0,1,0,0,1,0|1,0,0]=3 3104 B15R2.6956 Cc1c[nH]c(n1)c2c(cccc2F)N 271570a_100010769795_100161115468 [0,1,0,0,1,0|2,0,0]=4 3105 B15R2.6956 Cc1c[nH]c(n1)c2c(ccnc2Cl)C 271570a_100010187686_100161115468 [0,1,0,0,1,0|2,0,0]=4 3106 B15R2.6956 Cc1cc(n[nH]1)c2c(cccc2C)C 271570a_100009872134_100000033847 [0,1,0,0,1,0|2,0,0]=4 3107 B15R2.6956 Cc1ccc(o1)c2c(cccc2C)C 271570a_100000061910_100000033847 [0,1,0,0,1,0|2,0,0]=4 3108 B15R2.6956 Cc1ccc(s1)c2c(cccc2C)C 271570a_100011934456_100000033847 [0,1,0,0,1,0|2,0,0]=4 3109 B15R2.6956 Cc1cccc(c1c2ccc(s2)Cl)C 271570a_100000708867_100000033847 [0,1,0,0,1,0|2,0,0]=4 3110 B15R2.6956 Cc1cccc(c1c2ccn(n2)C)C 271570a_100012348833_100000033847 [0,1,0,0,1,0|2,0,0]=4 3111 B15R2.6956 Cc1cccc(c1c2nc(cs2)Br)F 271570a_100010391573_200016082925 [0,1,0,0,1,0|2,0,0]=4 3112 B15R2.6956 Cc1cccc(c1c2nc(cs2)N)F 271570a_100010391573_200015188442 [0,1,0,0,1,0|2,0,0]=4 3113 B15R2.6956 Cc1cnc(s1)c2c(cccc2F)C 271570a_100010391573_100000690809 [0,1,0,0,1,0|2,0,0]=4 3114 B15R2.6956 Cc1csc(c1)c2c(cccc2C)C 271570a_100000038307_100000033847 [0,1,0,0,1,0|2,0,0]=4 3115 B15R2.6956 Cc1csc(n1)c2c(cccc2F)C 271570a_100010391573_100011291629 [0,1,0,0,1,0|2,0,0]=4 3116 B15R2.7647 Cc1c[nH]nc1c2c(cccc2C)C 271570a_100102527747_100000033847 [0,1,0,0,1,0|2,0,0]=4 3117 B15R2.7647 Cc1cccc(c1c2cccn2C)C 271570a_100000068268_100000033847 [0,1,0,0,1,0|1,0,0]=3 3118 B15R2.7647 Cc1cccc(c1c2cccn2C)Cl 271570a_100000068268_100000043165 [0,1,0,0,1,0|2,0,0]=4 3119 B15R2.7647 Cc1cccc(c1c2cccn2C)F 271570a_100000068268_100012349962 [0,1,0,0,1,0|2,0,0]=4 3120 B15R2.7647 Cc1cccc(c1c2cccn2C)N 271570a_100000068268_100000684715 [0,1,0,0,1,0|2,0,0]=4 3121 B15R2.7647 Cc1cccc(c1c2cccn2C)O 271570a_100000068268_100000686692 [0,1,0,0,1,0|2,0,0]=4 3122 B15R2.7647 Cc1cccc(c1c2ccnn2C)C 271570a_100000707534_100000033847 [0,1,0,0,1,0|2,0,0]=4 3123 B15R2.7647 Cc1cccc(c1c2cncn2C)C 271570a_100009892668_100000033847 [0,1,0,0,1,0|2,0,0]=4 3124 B15R2.7647 Cc1cccc(c1c2nccn2C)F 271570a_100010391573_100000707724 [0,1,0,0,1,0|1,0,0]=3 3125 B15R2.7647 Cc1cccc(c1c2ncnn2C)F 271570a_100010391573_100000732653 [0,1,0,0,1,0|2,0,0]=4 3126 B15R2.7647 Cc1ccnc(c1c2cccn2C)C 271570a_100000068268_100012000501 [0,1,0,0,1,0|2,0,0]=4 3127 B15R2.7647 Cc1ccnc(c1c2nccn2C)Cl 271570a_100010187686_100000707724 [0,1,0,0,1,0|2,0,0]=4 3128 B15R2.7647 Cc1ccsc1c2c(cccc2C)C 271570a_100000734444_100000033847 [0,1,0,0,1,0|2,0,0]=4 3129 B15R2.7647 Cc1cncc(c1c2cccn2C)C 271570a_100000068268_100009817138 [0,1,0,0,1,0|2,0,0]=4 3130 B15R2.7647 Cn1ccnc1c2c(cccc2F)N 271570a_100010769795_100000707724 [0,1,0,0,1,0|2,0,0]=4 3131 B15R2.15647 Cc1c(ccc(c1c2ncc[nH]2)F)F 271570a_100016988920_100010167959 [0,1,0,0,1,0|1,0,0]=3 3132 B15R2.15647 Cc1c(ccc(c1c2ncc[nH]2)F)F 271570a_200010196896_100025796157 [0,1,0,0,1,0|1,0,0]=3 3133 B15R2.15647 Cc1c(ccc(c1c2ncco2)F)F 271570a_200010196896_100011787736 [0,1,0,0,1,0|2,0,0]=4 3134 B15R2.15647 Cc1c(ccc(c1c2nccs2)F)F 271570a_200010196896_100000211983 [0,1,0,0,1,0|2,0,0]=4 3135 B15R2.15647 Cc1c(cnc(c1c2ncc[nH]2)N)Br 271570a_100016988920_100010254231 [0,1,0,0,1,0|2,0,0]=4 3136 B15R2.15647 Cc1ccc(c(c1Cl)c2ncc[nH]2)Cl 271570a_200010208260_100025796157 [0,1,0,0,1,0|2,0,0]=4 3137 B15R2.15647 Cc1ccc(c(c1Cl)c2ncc[nH]2)F 271570a_100000049457_100025796157 [0,1,0,0,1,0|2,0,0]=4 3138 B15R2.15647 Cc1ccc(c(c1F)c2ncc[nH]2)Cl 271570a_100000049430_100025796157 [0,1,0,0,1,0|2,0,0]=4 3139 B15R2.15647 Cc1ccc(c(c1F)c2ncc[nH]2)F 271570a_100012039501_100025796157 [0,1,0,0,1,0|2,0,0]=4 3140 B15R2.15647 Cc1ccc(c(c1c2cc[nH]n2)C)F 271570a_100000062414_100011068659 [0,1,0,0,1,0|2,0,0]=4 3141 B15R2.15647 Cc1ccc(c(c1c2cc[nH]n2)C)N 271570a_100000062414_106354213274 [0,1,0,0,1,0|2,0,0]=4 3142 B15R2.15647 Cc1ccc(c(c1c2cc[nH]n2)C)O 271570a_100000062414_100010659238 [0,1,0,0,1,0|2,0,0]=4 3143 B15R2.15647 Cc1ccc(c(c1c2ccco2)C)F 271570a_100000750936_100011068659 [0,1,0,0,1,0|2,0,0]=4 3144 B15R2.15647 Cc1ccc(c(c1c2ccco2)C)N 271570a_100000750936_106354213274 [0,1,0,0,1,0|2,0,0]=4 3145 B15R2.15647 Cc1ccc(c(c1c2ccco2)C)O 271570a_100000750936_100010659238 [0,1,0,0,1,0|2,0,0]=4 3146 B15R2.15647 Cc1ccc(c(c1c2cccs2)C)F 271570a_100000742291_100011068659 [0,1,0,0,1,0|2,0,0]=4 3147 B15R2.15647 Cc1ccc(c(c1c2cccs2)C)N 271570a_100000742291_106354213274 [0,1,0,0,1,0|2,0,0]=4 3148 B15R2.15647 Cc1ccc(c(c1c2cccs2)C)O 271570a_100000742291_100010659238 [0,1,0,0,1,0|2,0,0]=4 3149 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)F 271570a_100016988920_100011068659 [0,1,0,0,1,0|0,0,0]=2 3150 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)N 271570a_100016988920_106354213274 [0,1,0,0,1,0|0,0,0]=2 3151 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)C)O 271570a_100016988920_100010659238 [0,1,0,0,1,0|0,0,0]=2 3152 B15R2.15647 Cc1ccc(c(c1c2ncc[nH]2)O)F 271570a_100016988920_200010223207 [0,1,0,0,1,0|1,0,0]=3 3153 B15R2.15647 Cc1cnc(c(c1c2ncc[nH]2)C)F 271570a_100016988920_100011016222 [0,1,0,0,1,0|1,0,0]=3 3154 B15R2.15647 Cc1ncc(c(c1c2ncc[nH]2)C)N 271570a_100016988920_100012352430 [0,1,0,0,1,0|1,0,0]=3 3155 B15R2.15647 Clc1ccc(c(c1Cl)c2ncc[nH]2)Cl 271570a_100016988920_200010170825 [0,1,0,0,1,0|2,0,0]=4 3156 B15R2.15647 Cn1ccc(=O)c(c1c2ncc[nH]2)F 271570a_100016988920_200010096536 [0,1,0,0,1,0|2,0,0]=4 3157 B15R2.15647 Fc1c(ccc(c1c2ncc[nH]2)Br)Cl 271570a_100016988920_100011084128 [0,1,0,0,1,0|2,0,0]=4 3158 B15R2.15647 Fc1c(ccc(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_100011092007 [0,1,0,0,1,0|2,0,0]=4 3159 B15R2.15647 Fc1ccc(c(c1Cl)c2ncc[nH]2)Br 271570a_100016988920_200037249116 [0,1,0,0,1,0|2,0,0]=4 3160 B15R2.15647 Fc1ccc(c(c1Cl)c2ncc[nH]2)F 271570a_100016988920_100010167948 [0,1,0,0,1,0|2,0,0]=4 3161 B15R2.15647 Fc1ccc(c(c1Cl)c2ncc[nH]2)F 271570a_100023129101_100025796157 [0,1,0,0,1,0|2,0,0]=4 3162 B15R2.15647 Fc1ccc(c(c1F)c2ncc[nH]2)F 271570a_100016988920_100009814005 [0,1,0,0,1,0|2,0,0]=4 3163 B15R2.15647 Fc1ccc(c(c1F)c2ncc[nH]2)F 271570a_200021233669_100025796157 [0,1,0,0,1,0|2,0,0]=4 3164 B15R2.15647 Fc1ccc(c(c1c2ncc[nH]2)Cl)Cl 271570a_100016988920_200015697950 [0,1,0,0,1,0|2,0,0]=4 3165 B15R2.15647 Fc1ccc(c(c1c2ncc[nH]2)Cl)Cl 271570a_100020723119_100025796157 [0,1,0,0,1,0|2,0,0]=4 3166 B15R2.15647 Fc1ccc(c(c1c2ncc[nH]2)F)Br 271570a_100016988920_100000722365 [0,1,0,0,1,0|2,0,0]=4 3167 B15R2.15647 Fc1ccc(c(c1c2ncc[nH]2)F)Cl 271570a_100000067473_100025796157 [0,1,0,0,1,0|2,0,0]=4 3168 B15R2.15647 Fc1ccc(c(c1c2ncc[nH]2)F)Cl 271570a_100016988920_200010167938 [0,1,0,0,1,0|2,0,0]=4 3169 B15R2.15647 Nc1c(ccc(c1c2ncc[nH]2)F)F 271570a_100016988920_100014094178 [0,1,0,0,1,0|2,0,0]=4 3170 B15R2.15647 Nc1ccc(c(c1F)c2ncc[nH]2)F 271570a_100016988920_100010070858 [0,1,0,0,1,0|2,0,0]=4 3171 B15R2.15647 Nc1ccc(c(c1N)c2ncc[nH]2)F 271570a_100016988920_100010128261 [0,1,0,0,1,0|2,0,0]=4 3172 B15R2.15647 Nc1ccc(c(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_200010779962 [0,1,0,0,1,0|2,0,0]=4 3173 B15R2.15647 Nc1ccc(c(c1c2ncc[nH]2)Cl)Cl 271570a_100016988920_200011093878 [0,1,0,0,1,0|2,0,0]=4 3174 B15R2.15647 Nc1ccc(c(c1c2ncc[nH]2)F)Cl 271570a_100016988920_100010134325 [0,1,0,0,1,0|2,0,0]=4 3175 B15R2.15647 Nc1ccc(c(c1c2ncc[nH]2)F)F 271570a_100016988920_100010232473 [0,1,0,0,1,0|2,0,0]=4 3176 B15R2.15647 Oc1c(ccc(c1c2ncc[nH]2)F)F 271570a_100016988920_100010170822 [0,1,0,0,1,0|2,0,0]=4 3177 B17R2.1791 CCc1cccc(c1Nc2cccnn2)C 27a_100000210048_100016991348 [0,1,0,0,0,1|2,0,0]=4 3178 B17R2.1791 CCc1cccc(c1Nc2ccncn2)C 27a_100000210048_100000703185 [0,1,0,0,0,1|2,0,0]=4 3179 B17R2.1791 CCc1cccc(c1Nc2cnccn2)C 27a_100000210048_100000211759 [0,1,0,0,0,1|1,0,1]=4 3180 B17R2.1791 CCc1cccc(c1Nc2ncccn2)C 27a_100000210048_100000211032 [0,1,0,0,0,1|1,0,1]=4 3181 B17R2.1791 CCc1cccc(c1Sc2ccccn2)C 62a_100000036235_100011216584 [0,1,0,0,0,1|2,0,0]=4 3182 B17R2.1791 CCc1cccc(c1Sc2ccccn2)C 62a_100011216584_100000036235 [0,1,0,0,0,1|2,0,0]=4 3183 B17R2.1791 CCc1cccc(c1Sc2cccnc2)C 62a_100000036235_100000210063 [0,1,0,0,0,1|2,0,0]=4 3184 B17R2.1791 CCc1cccc(c1Sc2cccnc2)C 62a_100000210063_100000036235 [0,1,0,0,0,1|2,0,0]=4 3185 B17R2.1791 CCc1cccc(c1Sc2cccnn2)C 62a_100000036235_100016991348 [0,1,0,0,0,1|2,0,0]=4 3186 B17R2.1791 CCc1cccc(c1Sc2cccnn2)C 62a_100016991348_100000036235 [0,1,0,0,0,1|2,0,0]=4 3187 B17R2.1791 CCc1cccc(c1Sc2ccncn2)C 62a_100000036235_100000703185 [0,1,0,0,0,1|2,0,0]=4 3188 B17R2.1791 CCc1cccc(c1Sc2ccncn2)C 62a_100000703185_100000036235 [0,1,0,0,0,1|2,0,0]=4 3189 B17R2.1791 CCc1cccc(c1Sc2cnccn2)C 62a_100000036235_100000211759 [0,1,0,0,0,1|1,0,1]=4 3190 B17R2.1791 CCc1cccc(c1Sc2cnccn2)C 62a_100000211759_100000036235 [0,1,0,0,0,1|1,0,1]=4 3191 B17R2.1791 CCc1cccc(c1Sc2ncccn2)C 62a_100000036235_100000211032 [0,1,0,0,0,1|1,0,1]=4 3192 B17R2.1791 CCc1cccc(c1Sc2ncccn2)C 62a_100000211032_100000036235 [0,1,0,0,0,1|1,0,1]=4 3193 B17R2.1791 COc1cccc(c1Nc2cccnn2)C 27a_100000758225_100016991348 [0,1,0,0,0,1|2,0,0]=4 3194 B17R2.1791 COc1cccc(c1Nc2ccncn2)C 27a_100000758225_100000703185 [0,1,0,0,0,1|2,0,0]=4 3195 B17R2.1791 COc1cccc(c1Nc2cnccn2)C 27a_100000758225_100000211759 [0,1,0,0,0,1|1,0,1]=4 3196 B17R2.1791 COc1cccc(c1Nc2ncccn2)C 27a_100000758225_100000211032 [0,1,0,0,0,1|1,0,1]=4 3197 B17R2.1791 COc1cccc(c1Sc2ccccn2)C 62a_100010191535_100011216584 [0,1,0,0,0,1|2,0,0]=4 3198 B17R2.1791 COc1cccc(c1Sc2ccccn2)C 62a_100011216584_100010191535 [0,1,0,0,0,1|2,0,0]=4 3199 B17R2.1791 COc1cccc(c1Sc2cccnc2)C 62a_100000210063_100010191535 [0,1,0,0,0,1|2,0,0]=4 3200 B17R2.1791 COc1cccc(c1Sc2cccnc2)C 62a_100010191535_100000210063 [0,1,0,0,0,1|2,0,0]=4 3201 B17R2.1791 COc1cccc(c1Sc2cccnn2)C 62a_100010191535_100016991348 [0,1,0,0,0,1|2,0,0]=4 3202 B17R2.1791 COc1cccc(c1Sc2cccnn2)C 62a_100016991348_100010191535 [0,1,0,0,0,1|2,0,0]=4 3203 B17R2.1791 COc1cccc(c1Sc2ccncn2)C 62a_100000703185_100010191535 [0,1,0,0,0,1|2,0,0]=4 3204 B17R2.1791 COc1cccc(c1Sc2ccncn2)C 62a_100010191535_100000703185 [0,1,0,0,0,1|2,0,0]=4 3205 B17R2.1791 COc1cccc(c1Sc2cnccn2)C 62a_100000211759_100010191535 [0,1,0,0,0,1|1,0,1]=4 3206 B17R2.1791 COc1cccc(c1Sc2cnccn2)C 62a_100010191535_100000211759 [0,1,0,0,0,1|1,0,1]=4 3207 B17R2.1791 COc1cccc(c1Sc2ncccn2)C 62a_100000211032_100010191535 [0,1,0,0,0,1|1,0,1]=4 3208 B17R2.1791 COc1cccc(c1Sc2ncccn2)C 62a_100010191535_100000211032 [0,1,0,0,0,1|1,0,1]=4 3209 B17R2.1791 Cc1cccc(c1Nc2cccnn2)CO 27a_100011215590_100016991348 [0,1,0,0,0,1|2,0,0]=4 3210 B17R2.1791 Cc1cccc(c1Nc2ccncn2)CO 27a_100011215590_100000703185 [0,1,0,0,0,1|2,0,0]=4 3211 B17R2.1791 Cc1cccc(c1Nc2cnccn2)CO 27a_100011215590_100000211759 [0,1,0,0,0,1|1,0,1]=4 3212 B17R2.1791 Cc1cccc(c1Nc2ncccn2)CO 27a_100011215590_100000211032 [0,1,0,0,0,1|1,0,1]=4 3213 B17R2.1791 Cc1cccc(c1Sc2ccccn2)CO 62a_100011216584_100011659289 [0,1,0,0,0,1|2,0,0]=4 3214 B17R2.1791 Cc1cccc(c1Sc2ccccn2)CO 62a_100011659289_100011216584 [0,1,0,0,0,1|2,0,0]=4 3215 B17R2.1791 Cc1cccc(c1Sc2cccnc2)CO 62a_100000210063_100011659289 [0,1,0,0,0,1|2,0,0]=4 3216 B17R2.1791 Cc1cccc(c1Sc2cccnc2)CO 62a_100011659289_100000210063 [0,1,0,0,0,1|2,0,0]=4 3217 B17R2.1791 Cc1cccc(c1Sc2cccnn2)CO 62a_100011659289_100016991348 [0,1,0,0,0,1|2,0,0]=4 3218 B17R2.1791 Cc1cccc(c1Sc2cccnn2)CO 62a_100016991348_100011659289 [0,1,0,0,0,1|2,0,0]=4 3219 B17R2.1791 Cc1cccc(c1Sc2ccncn2)CO 62a_100000703185_100011659289 [0,1,0,0,0,1|2,0,0]=4 3220 B17R2.1791 Cc1cccc(c1Sc2ccncn2)CO 62a_100011659289_100000703185 [0,1,0,0,0,1|2,0,0]=4 3221 B17R2.1791 Cc1cccc(c1Sc2cnccn2)CO 62a_100000211759_100011659289 [0,1,0,0,0,1|1,0,1]=4 3222 B17R2.1791 Cc1cccc(c1Sc2cnccn2)CO 62a_100011659289_100000211759 [0,1,0,0,0,1|1,0,1]=4 3223 B17R2.1791 Cc1cccc(c1Sc2ncccn2)CO 62a_100000211032_100011659289 [0,1,0,0,0,1|1,0,1]=4 3224 B17R2.1791 Cc1cccc(c1Sc2ncccn2)CO 62a_100011659289_100000211032 [0,1,0,0,0,1|1,0,1]=4 3225 B17R2.2360 Cc1cc(c(c(c1)C)Nc2cccnn2)C 27a_100000210045_100016991348 [0,1,0,0,0,1|2,0,0]=4 3226 B17R2.2360 Cc1cc(c(c(c1)C)Nc2ccncn2)C 27a_100000210045_100000703185 [0,1,0,0,0,1|2,0,0]=4 3227 B17R2.2360 Cc1cc(c(c(c1)C)Nc2cnccn2)C 27a_100000210045_100000211759 [0,1,0,0,0,1|1,0,1]=4 3228 B17R2.2360 Cc1cc(c(c(c1)C)Nc2ncccn2)C 27a_100000210045_100000211032 [0,1,0,0,0,1|1,0,1]=4 3229 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ccccn2)C 62a_100011204320_100011216584 [0,1,0,0,0,1|2,0,0]=4 3230 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ccccn2)C 62a_100011216584_100011204320 [0,1,0,0,0,1|2,0,0]=4 3231 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cccnc2)C 62a_100000210063_100011204320 [0,1,0,0,0,1|2,0,0]=4 3232 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cccnc2)C 62a_100011204320_100000210063 [0,1,0,0,0,1|2,0,0]=4 3233 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cccnn2)C 62a_100011204320_100016991348 [0,1,0,0,0,1|2,0,0]=4 3234 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cccnn2)C 62a_100016991348_100011204320 [0,1,0,0,0,1|2,0,0]=4 3235 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ccncn2)C 62a_100000703185_100011204320 [0,1,0,0,0,1|2,0,0]=4 3236 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ccncn2)C 62a_100011204320_100000703185 [0,1,0,0,0,1|2,0,0]=4 3237 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cnccn2)C 62a_100000211759_100011204320 [0,1,0,0,0,1|1,0,1]=4 3238 B17R2.2360 Cc1cc(c(c(c1)C)Sc2cnccn2)C 62a_100011204320_100000211759 [0,1,0,0,0,1|1,0,1]=4 3239 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ncccn2)C 62a_100000211032_100011204320 [0,1,0,0,0,1|1,0,1]=4 3240 B17R2.2360 Cc1cc(c(c(c1)C)Sc2ncccn2)C 62a_100011204320_100000211032 [0,1,0,0,0,1|1,0,1]=4 3241 B17R2.2360 Cc1cc(cc(c1Nc2cccnn2)C)Br 27a_100000737279_100016991348 [0,1,0,0,0,1|2,0,0]=4 3242 B17R2.2360 Cc1cc(cc(c1Nc2cccnn2)C)Cl 27a_100000692879_100016991348 [0,1,0,0,0,1|2,0,0]=4 3243 B17R2.2360 Cc1cc(cc(c1Nc2cccnn2)C)F 27a_100011290887_100016991348 [0,1,0,0,0,1|2,0,0]=4 3244 B17R2.2360 Cc1cc(cc(c1Nc2cccnn2)C)I 27a_100011356821_100016991348 [0,1,0,0,0,1|2,0,0]=4 3245 B17R2.2360 Cc1cc(cc(c1Nc2cccnn2)C)O 27a_100011934200_100016991348 [0,1,0,0,0,1|2,0,0]=4 3246 B17R2.2360 Cc1cc(cc(c1Nc2ccncn2)C)Br 27a_100000737279_100000703185 [0,1,0,0,0,1|2,0,0]=4 3247 B17R2.2360 Cc1cc(cc(c1Nc2ccncn2)C)Cl 27a_100000692879_100000703185 [0,1,0,0,0,1|2,0,0]=4 3248 B17R2.2360 Cc1cc(cc(c1Nc2ccncn2)C)F 27a_100011290887_100000703185 [0,1,0,0,0,1|2,0,0]=4 3249 B17R2.2360 Cc1cc(cc(c1Nc2ccncn2)C)I 27a_100011356821_100000703185 [0,1,0,0,0,1|2,0,0]=4 3250 B17R2.2360 Cc1cc(cc(c1Nc2ccncn2)C)O 27a_100011934200_100000703185 [0,1,0,0,0,1|2,0,0]=4 3251 B17R2.2360 Cc1cc(cc(c1Nc2cnccn2)C)Br 27a_100000737279_100000211759 [0,1,0,0,0,1|1,0,1]=4 3252 B17R2.2360 Cc1cc(cc(c1Nc2cnccn2)C)Cl 27a_100000692879_100000211759 [0,1,0,0,0,1|1,0,1]=4 3253 B17R2.2360 Cc1cc(cc(c1Nc2cnccn2)C)F 27a_100011290887_100000211759 [0,1,0,0,0,1|1,0,1]=4 3254 B17R2.2360 Cc1cc(cc(c1Nc2cnccn2)C)I 27a_100011356821_100000211759 [0,1,0,0,0,1|1,0,1]=4 3255 B17R2.2360 Cc1cc(cc(c1Nc2cnccn2)C)O 27a_100011934200_100000211759 [0,1,0,0,0,1|1,0,1]=4 3256 B17R2.2360 Cc1cc(cc(c1Nc2ncccn2)C)Br 27a_100000737279_100000211032 [0,1,0,0,0,1|1,0,1]=4 3257 B17R2.2360 Cc1cc(cc(c1Nc2ncccn2)C)Cl 27a_100000692879_100000211032 [0,1,0,0,0,1|1,0,1]=4 3258 B17R2.2360 Cc1cc(cc(c1Nc2ncccn2)C)F 27a_100011290887_100000211032 [0,1,0,0,0,1|1,0,1]=4 3259 B17R2.2360 Cc1cc(cc(c1Nc2ncccn2)C)I 27a_100011356821_100000211032 [0,1,0,0,0,1|1,0,1]=4 3260 B17R2.2360 Cc1cc(cc(c1Nc2ncccn2)C)O 27a_100011934200_100000211032 [0,1,0,0,0,1|1,0,1]=4 3261 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)Br 62a_100009814048_100011216584 [0,1,0,0,0,1|2,0,0]=4 3262 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)Br 62a_100011216584_100009814048 [0,1,0,0,0,1|2,0,0]=4 3263 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)Cl 62a_100010244930_100011216584 [0,1,0,0,0,1|2,0,0]=4 3264 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)Cl 62a_100011216584_100010244930 [0,1,0,0,0,1|2,0,0]=4 3265 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)F 62a_100011216584_100012356666 [0,1,0,0,0,1|2,0,0]=4 3266 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)F 62a_100012356666_100011216584 [0,1,0,0,0,1|2,0,0]=4 3267 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)N 62a_100000215964_100011216584 [0,1,0,0,0,1|2,0,0]=4 3268 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)N 62a_100011216584_100000215964 [0,1,0,0,0,1|2,0,0]=4 3269 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)O 62a_100000243743_100011216584 [0,1,0,0,0,1|2,0,0]=4 3270 B17R2.2360 Cc1cc(cc(c1Sc2ccccn2)C)O 62a_100011216584_100000243743 [0,1,0,0,0,1|2,0,0]=4 3271 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)Br 62a_100000210063_100009814048 [0,1,0,0,0,1|2,0,0]=4 3272 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)Br 62a_100009814048_100000210063 [0,1,0,0,0,1|2,0,0]=4 3273 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)Cl 62a_100000210063_100010244930 [0,1,0,0,0,1|2,0,0]=4 3274 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)Cl 62a_100010244930_100000210063 [0,1,0,0,0,1|2,0,0]=4 3275 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)F 62a_100000210063_100012356666 [0,1,0,0,0,1|2,0,0]=4 3276 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)F 62a_100012356666_100000210063 [0,1,0,0,0,1|2,0,0]=4 3277 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)N 62a_100000210063_100000215964 [0,1,0,0,0,1|2,0,0]=4 3278 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)N 62a_100000215964_100000210063 [0,1,0,0,0,1|2,0,0]=4 3279 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)O 62a_100000210063_100000243743 [0,1,0,0,0,1|2,0,0]=4 3280 B17R2.2360 Cc1cc(cc(c1Sc2cccnc2)C)O 62a_100000243743_100000210063 [0,1,0,0,0,1|2,0,0]=4 3281 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)Br 62a_100009814048_100016991348 [0,1,0,0,0,1|2,0,0]=4 3282 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)Br 62a_100016991348_100009814048 [0,1,0,0,0,1|2,0,0]=4 3283 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)Cl 62a_100010244930_100016991348 [0,1,0,0,0,1|2,0,0]=4 3284 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)Cl 62a_100016991348_100010244930 [0,1,0,0,0,1|2,0,0]=4 3285 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)F 62a_100012356666_100016991348 [0,1,0,0,0,1|2,0,0]=4 3286 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)F 62a_100016991348_100012356666 [0,1,0,0,0,1|2,0,0]=4 3287 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)N 62a_100000215964_100016991348 [0,1,0,0,0,1|2,0,0]=4 3288 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)N 62a_100016991348_100000215964 [0,1,0,0,0,1|2,0,0]=4 3289 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)O 62a_100000243743_100016991348 [0,1,0,0,0,1|2,0,0]=4 3290 B17R2.2360 Cc1cc(cc(c1Sc2cccnn2)C)O 62a_100016991348_100000243743 [0,1,0,0,0,1|2,0,0]=4 3291 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)Br 62a_100000703185_100009814048 [0,1,0,0,0,1|2,0,0]=4 3292 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)Br 62a_100009814048_100000703185 [0,1,0,0,0,1|2,0,0]=4 3293 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)Cl 62a_100000703185_100010244930 [0,1,0,0,0,1|2,0,0]=4 3294 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)Cl 62a_100010244930_100000703185 [0,1,0,0,0,1|2,0,0]=4 3295 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)F 62a_100000703185_100012356666 [0,1,0,0,0,1|2,0,0]=4 3296 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)F 62a_100012356666_100000703185 [0,1,0,0,0,1|2,0,0]=4 3297 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)N 62a_100000215964_100000703185 [0,1,0,0,0,1|2,0,0]=4 3298 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)N 62a_100000703185_100000215964 [0,1,0,0,0,1|2,0,0]=4 3299 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)O 62a_100000243743_100000703185 [0,1,0,0,0,1|2,0,0]=4 3300 B17R2.2360 Cc1cc(cc(c1Sc2ccncn2)C)O 62a_100000703185_100000243743 [0,1,0,0,0,1|2,0,0]=4 3301 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)Br 62a_100000211759_100009814048 [0,1,0,0,0,1|1,0,1]=4 3302 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)Br 62a_100009814048_100000211759 [0,1,0,0,0,1|1,0,1]=4 3303 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)Cl 62a_100000211759_100010244930 [0,1,0,0,0,1|1,0,1]=4 3304 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)Cl 62a_100010244930_100000211759 [0,1,0,0,0,1|1,0,1]=4 3305 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)F 62a_100000211759_100012356666 [0,1,0,0,0,1|1,0,1]=4 3306 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)F 62a_100012356666_100000211759 [0,1,0,0,0,1|1,0,1]=4 3307 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)N 62a_100000211759_100000215964 [0,1,0,0,0,1|1,0,1]=4 3308 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)N 62a_100000215964_100000211759 [0,1,0,0,0,1|1,0,1]=4 3309 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)O 62a_100000211759_100000243743 [0,1,0,0,0,1|1,0,1]=4 3310 B17R2.2360 Cc1cc(cc(c1Sc2cnccn2)C)O 62a_100000243743_100000211759 [0,1,0,0,0,1|1,0,1]=4 3311 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)Br 62a_100000211032_100009814048 [0,1,0,0,0,1|1,0,1]=4 3312 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)Br 62a_100009814048_100000211032 [0,1,0,0,0,1|1,0,1]=4 3313 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)Cl 62a_100000211032_100010244930 [0,1,0,0,0,1|1,0,1]=4 3314 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)Cl 62a_100010244930_100000211032 [0,1,0,0,0,1|1,0,1]=4 3315 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)F 62a_100000211032_100012356666 [0,1,0,0,0,1|1,0,1]=4 3316 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)F 62a_100012356666_100000211032 [0,1,0,0,0,1|1,0,1]=4 3317 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)N 62a_100000211032_100000215964 [0,1,0,0,0,1|1,0,1]=4 3318 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)N 62a_100000215964_100000211032 [0,1,0,0,0,1|1,0,1]=4 3319 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)O 62a_100000211032_100000243743 [0,1,0,0,0,1|1,0,1]=4 3320 B17R2.2360 Cc1cc(cc(c1Sc2ncccn2)C)O 62a_100000243743_100000211032 [0,1,0,0,0,1|1,0,1]=4 3321 B17R2.5268 Cc1cccc(c1N(C)c2cccnn2)C 27a_100011645471_100016991348 [0,1,0,0,0,1|2,0,0]=4 3322 B17R2.5268 Cc1cccc(c1N(C)c2ccncn2)C 27a_100011645471_100000703185 [0,1,0,0,0,1|2,0,0]=4 3323 B17R2.5268 Cc1cccc(c1N(C)c2cnccn2)C 27a_100011645471_100000211759 [0,1,0,0,0,1|1,0,1]=4 3324 B17R2.5268 Cc1cccc(c1N(C)c2ncccn2)C 27a_100011645471_100000211032 [0,1,0,0,0,1|1,0,1]=4 3325 B17R2.5357 Cc1ccc(c(c1C)Nc2cccnn2)C 27a_100000117417_100016991348 [0,1,0,0,0,1|2,0,0]=4 3326 B17R2.5357 Cc1ccc(c(c1C)Nc2ccncn2)C 27a_100000117417_100000703185 [0,1,0,0,0,1|2,0,0]=4 3327 B17R2.5357 Cc1ccc(c(c1C)Nc2cnccn2)C 27a_100000117417_100000211759 [0,1,0,0,0,1|1,0,1]=4 3328 B17R2.5357 Cc1ccc(c(c1C)Nc2ncccn2)C 27a_100000117417_100000211032 [0,1,0,0,0,1|1,0,1]=4 3329 B17R2.5357 Cc1ccc(c(c1Nc2cccnn2)C)Br 27a_200010074581_100016991348 [0,1,0,0,0,1|2,0,0]=4 3330 B17R2.5357 Cc1ccc(c(c1Nc2cccnn2)C)Cl 27a_200020642106_100016991348 [0,1,0,0,0,1|2,0,0]=4 3331 B17R2.5357 Cc1ccc(c(c1Nc2cccnn2)C)I 27a_200010115591_100016991348 [0,1,0,0,0,1|2,0,0]=4 3332 B17R2.5357 Cc1ccc(c(c1Nc2ccncn2)C)Br 27a_200010074581_100000703185 [0,1,0,0,0,1|2,0,0]=4 3333 B17R2.5357 Cc1ccc(c(c1Nc2ccncn2)C)Cl 27a_200020642106_100000703185 [0,1,0,0,0,1|2,0,0]=4 3334 B17R2.5357 Cc1ccc(c(c1Nc2ccncn2)C)I 27a_200010115591_100000703185 [0,1,0,0,0,1|2,0,0]=4 3335 B17R2.5357 Cc1ccc(c(c1Nc2cnccn2)C)Br 27a_200010074581_100000211759 [0,1,0,0,0,1|1,0,1]=4 3336 B17R2.5357 Cc1ccc(c(c1Nc2cnccn2)C)Cl 27a_200020642106_100000211759 [0,1,0,0,0,1|1,0,1]=4 3337 B17R2.5357 Cc1ccc(c(c1Nc2cnccn2)C)I 27a_200010115591_100000211759 [0,1,0,0,0,1|1,0,1]=4 3338 B17R2.5357 Cc1ccc(c(c1Nc2ncccn2)C)Br 27a_200010074581_100000211032 [0,1,0,0,0,1|1,0,1]=4 3339 B17R2.5357 Cc1ccc(c(c1Nc2ncccn2)C)Cl 27a_200020642106_100000211032 [0,1,0,0,0,1|1,0,1]=4 3340 B17R2.5357 Cc1ccc(c(c1Nc2ncccn2)C)I 27a_200010115591_100000211032 [0,1,0,0,0,1|1,0,1]=4 3341 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)F 62a_100011068659_100011216584 [0,1,0,0,0,1|2,0,0]=4 3342 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)F 62a_100011216584_100011068659 [0,1,0,0,0,1|2,0,0]=4 3343 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)N 62a_100011216584_106354213274 [0,1,0,0,0,1|2,0,0]=4 3344 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)N 62a_106354213274_100011216584 [0,1,0,0,0,1|2,0,0]=4 3345 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)O 62a_100010659238_100011216584 [0,1,0,0,0,1|2,0,0]=4 3346 B17R2.5357 Cc1ccc(c(c1Sc2ccccn2)C)O 62a_100011216584_100010659238 [0,1,0,0,0,1|2,0,0]=4 3347 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)F 62a_100000210063_100011068659 [0,1,0,0,0,1|2,0,0]=4 3348 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)F 62a_100011068659_100000210063 [0,1,0,0,0,1|2,0,0]=4 3349 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)N 62a_100000210063_106354213274 [0,1,0,0,0,1|2,0,0]=4 3350 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)N 62a_106354213274_100000210063 [0,1,0,0,0,1|2,0,0]=4 3351 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)O 62a_100000210063_100010659238 [0,1,0,0,0,1|2,0,0]=4 3352 B17R2.5357 Cc1ccc(c(c1Sc2cccnc2)C)O 62a_100010659238_100000210063 [0,1,0,0,0,1|2,0,0]=4 3353 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)F 62a_100011068659_100016991348 [0,1,0,0,0,1|2,0,0]=4 3354 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)F 62a_100016991348_100011068659 [0,1,0,0,0,1|2,0,0]=4 3355 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)N 62a_100016991348_106354213274 [0,1,0,0,0,1|2,0,0]=4 3356 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)N 62a_106354213274_100016991348 [0,1,0,0,0,1|2,0,0]=4 3357 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)O 62a_100010659238_100016991348 [0,1,0,0,0,1|2,0,0]=4 3358 B17R2.5357 Cc1ccc(c(c1Sc2cccnn2)C)O 62a_100016991348_100010659238 [0,1,0,0,0,1|2,0,0]=4 3359 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)F 62a_100000703185_100011068659 [0,1,0,0,0,1|2,0,0]=4 3360 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)F 62a_100011068659_100000703185 [0,1,0,0,0,1|2,0,0]=4 3361 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)N 62a_100000703185_106354213274 [0,1,0,0,0,1|2,0,0]=4 3362 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)N 62a_106354213274_100000703185 [0,1,0,0,0,1|2,0,0]=4 3363 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)O 62a_100000703185_100010659238 [0,1,0,0,0,1|2,0,0]=4 3364 B17R2.5357 Cc1ccc(c(c1Sc2ccncn2)C)O 62a_100010659238_100000703185 [0,1,0,0,0,1|2,0,0]=4 3365 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)F 62a_100000211759_100011068659 [0,1,0,0,0,1|1,0,1]=4 3366 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)F 62a_100011068659_100000211759 [0,1,0,0,0,1|1,0,1]=4 3367 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)N 62a_100000211759_106354213274 [0,1,0,0,0,1|1,0,1]=4 3368 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)N 62a_106354213274_100000211759 [0,1,0,0,0,1|1,0,1]=4 3369 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)O 62a_100000211759_100010659238 [0,1,0,0,0,1|1,0,1]=4 3370 B17R2.5357 Cc1ccc(c(c1Sc2cnccn2)C)O 62a_100010659238_100000211759 [0,1,0,0,0,1|1,0,1]=4 3371 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)F 62a_100000211032_100011068659 [0,1,0,0,0,1|1,0,1]=4 3372 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)F 62a_100011068659_100000211032 [0,1,0,0,0,1|1,0,1]=4 3373 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)N 62a_100000211032_106354213274 [0,1,0,0,0,1|1,0,1]=4 3374 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)N 62a_106354213274_100000211032 [0,1,0,0,0,1|1,0,1]=4 3375 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)O 62a_100000211032_100010659238 [0,1,0,0,0,1|1,0,1]=4 3376 B17R2.5357 Cc1ccc(c(c1Sc2ncccn2)C)O 62a_100010659238_100000211032 [0,1,0,0,0,1|1,0,1]=4 3377 B17R2.18929 Cc1ccc(cn1)Sc2c(cccc2C)C 62a_100000033847_100000751577 [0,1,0,0,0,1|2,0,0]=4 3378 B17R2.18929 Cc1ccc(cn1)Sc2c(cccc2C)C 62a_100000751577_100000033847 [0,1,0,0,0,1|2,0,0]=4 3379 B17R2.18929 Cc1ccc(nc1)Sc2c(cccc2C)C 62a_100000033847_100000754016 [0,1,0,0,0,1|2,0,0]=4 3380 B17R2.18929 Cc1ccc(nc1)Sc2c(cccc2C)C 62a_100011192072_100000033847 [0,1,0,0,0,1|2,0,0]=4 3381 B17R2.18929 Cc1ccc(nn1)Nc2c(cccc2C)C 27a_100000185769_100000744512 [0,1,0,0,0,1|2,0,0]=4 3382 B17R2.18929 Cc1ccc(nn1)Sc2c(cccc2C)C 62a_100000033847_100000744512 [0,1,0,0,0,1|2,0,0]=4 3383 B17R2.18929 Cc1ccc(nn1)Sc2c(cccc2C)C 62a_100000744512_100000033847 [0,1,0,0,0,1|2,0,0]=4 3384 B17R2.18929 Cc1cccc(c1Nc2ccc(cn2)Br)C 27a_100000185769_100000686858 [0,1,0,0,0,1|2,0,0]=4 3385 B17R2.18929 Cc1cccc(c1Nc2cnc(cn2)Br)C 27a_100000185769_100010187541 [0,1,0,0,0,1|1,0,1]=4 3386 B17R2.18929 Cc1cccc(c1Nc2cnc(cn2)F)C 27a_100000185769_100009856528 [0,1,0,0,0,1|1,0,1]=4 3387 B17R2.18929 Cc1cccc(c1Nc2ncc(cn2)Br)C 27a_100000185769_100000690281 [0,1,0,0,0,1|1,0,1]=4 3388 B17R2.18929 Cc1cccc(c1Nc2ncc(cn2)Cl)C 27a_100000185769_100011356929 [0,1,0,0,0,1|1,0,1]=4 3389 B17R2.18929 Cc1cccc(c1Nc2ncc(cn2)F)C 27a_100000185769_100000685220 [0,1,0,0,0,1|1,0,1]=4 3390 B17R2.18929 Cc1cccc(c1Sc2ccc(=O)[nH]c2)C 62a_100000033847_100000212171 [0,1,0,0,0,1|2,0,0]=4 3391 B17R2.18929 Cc1cccc(c1Sc2ccc(=O)[nH]c2)C 62a_100000212171_100000033847 [0,1,0,0,0,1|2,0,0]=4 3392 B17R2.18929 Cc1cccc(c1Sc2ccc(=O)[nH]n2)C 62a_100000033847_100009820020 [0,1,0,0,0,1|2,0,0]=4 3393 B17R2.18929 Cc1cccc(c1Sc2ccc(=O)[nH]n2)C 62a_100009820020_100000033847 [0,1,0,0,0,1|2,0,0]=4 3394 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)Br)C 62a_100000033847_100000686858 [0,1,0,0,0,1|2,0,0]=4 3395 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)Br)C 62a_100000686858_100000033847 [0,1,0,0,0,1|2,0,0]=4 3396 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)Cl)C 62a_100000033847_100011356976 [0,1,0,0,0,1|2,0,0]=4 3397 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)Cl)C 62a_100011356976_100000033847 [0,1,0,0,0,1|2,0,0]=4 3398 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)F)C 62a_100000033847_100000744514 [0,1,0,0,0,1|2,0,0]=4 3399 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)F)C 62a_100000744514_100000033847 [0,1,0,0,0,1|2,0,0]=4 3400 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)N)C 62a_100000033847_100000737798 [0,1,0,0,0,1|2,0,0]=4 3401 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)N)C 62a_100000737798_100000033847 [0,1,0,0,0,1|2,0,0]=4 3402 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)O)C 62a_100000033847_100000744096 [0,1,0,0,0,1|2,0,0]=4 3403 B17R2.18929 Cc1cccc(c1Sc2ccc(cn2)O)C 62a_100000685995_100000033847 [0,1,0,0,0,1|2,0,0]=4 3404 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)Br)C 62a_100000033847_100009814638 [0,1,0,0,0,1|2,0,0]=4 3405 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)Br)C 62a_100009814638_100000033847 [0,1,0,0,0,1|2,0,0]=4 3406 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)Cl)C 62a_100000033847_100000034144 [0,1,0,0,0,1|2,0,0]=4 3407 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)Cl)C 62a_100000034144_100000033847 [0,1,0,0,0,1|2,0,0]=4 3408 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)F)C 62a_100000033847_100000042367 [0,1,0,0,0,1|2,0,0]=4 3409 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)F)C 62a_100000042367_100000033847 [0,1,0,0,0,1|2,0,0]=4 3410 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)N)C 62a_100000033847_100000187370 [0,1,0,0,0,1|2,0,0]=4 3411 B17R2.18929 Cc1cccc(c1Sc2ccc(nc2)N)C 62a_100000187370_100000033847 [0,1,0,0,0,1|2,0,0]=4 3412 B17R2.18929 Cc1cccc(c1Sc2ccc(nn2)Cl)C 62a_100000033847_100000068654 [0,1,0,0,0,1|2,0,0]=4 3413 B17R2.18929 Cc1cccc(c1Sc2ccc(nn2)Cl)C 62a_100000068654_100000033847 [0,1,0,0,0,1|2,0,0]=4 3414 B17R2.18929 Cc1cccc(c1Sc2ccc(nn2)N)C 62a_100000033847_100010219413 [0,1,0,0,0,1|2,0,0]=4 3415 B17R2.18929 Cc1cccc(c1Sc2ccc(nn2)N)C 62a_100010219413_100000033847 [0,1,0,0,0,1|2,0,0]=4 3416 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)Br)C 62a_100000033847_100010187541 [0,1,0,0,0,1|1,0,1]=4 3417 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)Br)C 62a_100010187541_100000033847 [0,1,0,0,0,1|1,0,1]=4 3418 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)Cl)C 62a_100000033847_100010214907 [0,1,0,0,0,1|1,0,1]=4 3419 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)Cl)C 62a_100010214907_100000033847 [0,1,0,0,0,1|1,0,1]=4 3420 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)F)C 62a_100000033847_100009856528 [0,1,0,0,0,1|1,0,1]=4 3421 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)F)C 62a_100009856528_100000033847 [0,1,0,0,0,1|1,0,1]=4 3422 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)N)C 62a_100000033847_100000744751 [0,1,0,0,0,1|1,0,1]=4 3423 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)N)C 62a_100000744751_100000033847 [0,1,0,0,0,1|1,0,1]=4 3424 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)O)C 62a_100000033847_100015839800 [0,1,0,0,0,1|1,0,1]=4 3425 B17R2.18929 Cc1cccc(c1Sc2cnc(cn2)O)C 62a_100011934580_100000033847 [0,1,0,0,0,1|1,0,1]=4 3426 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)Br)C 62a_100000033847_100000690281 [0,1,0,0,0,1|1,0,1]=4 3427 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)Br)C 62a_100000690281_100000033847 [0,1,0,0,0,1|1,0,1]=4 3428 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)Cl)C 62a_100000033847_100011356929 [0,1,0,0,0,1|1,0,1]=4 3429 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)Cl)C 62a_100011356929_100000033847 [0,1,0,0,0,1|1,0,1]=4 3430 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)F)C 62a_100000033847_100000685220 [0,1,0,0,0,1|1,0,1]=4 3431 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)F)C 62a_100000685220_100000033847 [0,1,0,0,0,1|1,0,1]=4 3432 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)N)C 62a_100000033847_100000068403 [0,1,0,0,0,1|1,0,1]=4 3433 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)N)C 62a_100000068403_100000033847 [0,1,0,0,0,1|1,0,1]=4 3434 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)O)C 62a_100000033847_100000092845 [0,1,0,0,0,1|1,0,1]=4 3435 B17R2.18929 Cc1cccc(c1Sc2ncc(cn2)O)C 62a_100000730009_100000033847 [0,1,0,0,0,1|1,0,1]=4 3436 B17R2.18929 Cc1cnc(cn1)Nc2c(cccc2C)C 27a_100000185769_100000074397 [0,1,0,0,0,1|1,0,1]=4 3437 B17R2.18929 Cc1cnc(cn1)Sc2c(cccc2C)C 62a_100000033847_100011999403 [0,1,0,0,0,1|1,0,1]=4 3438 B17R2.18929 Cc1cnc(cn1)Sc2c(cccc2C)C 62a_100011999403_100000033847 [0,1,0,0,0,1|1,0,1]=4 3439 B17R2.18929 Cc1cnc(nc1)Nc2c(cccc2C)C 27a_100000185769_100000061069 [0,1,0,0,0,1|1,0,1]=4 3440 B17R2.18929 Cc1cnc(nc1)Sc2c(cccc2C)C 62a_100000033847_100000061069 [0,1,0,0,0,1|1,0,1]=4 3441 B17R2.18929 Cc1cnc(nc1)Sc2c(cccc2C)C 62a_100000061069_100000033847 [0,1,0,0,0,1|1,0,1]=4 3442 B17R2.19591 Cc1cc(ncn1)Nc2c(cccc2C)C 27a_100000185769_100000744208 [0,1,0,0,0,1|2,0,0]=4 3443 B17R2.19591 Cc1cc(ncn1)Sc2c(cccc2C)C 62a_100000033847_100000744208 [0,1,0,0,0,1|2,0,0]=4 3444 B17R2.19591 Cc1cc(ncn1)Sc2c(cccc2C)C 62a_100000744208_100000033847 [0,1,0,0,0,1|2,0,0]=4 3445 B17R2.19591 Cc1cccc(c1Nc2c[n+](ccn2)[O-])C 27a_100000185769_100009880115 [0,1,0,0,0,1|1,0,1]=4 3446 B17R2.19591 Cc1cccc(c1Nc2cc(ccn2)F)C 27a_100000185769_100000764206 [0,1,0,0,0,1|2,0,0]=4 3447 B17R2.19591 Cc1cccc(c1Nc2cc(ncn2)F)C 27a_100000185769_200009880791 [0,1,0,0,0,1|2,0,0]=4 3448 B17R2.19591 Cc1cccc(c1Nc2cc(ncn2)N)C 27a_100000185769_100000701291 [0,1,0,0,0,1|2,0,0]=4 3449 B17R2.19591 Cc1cccc(c1Nc2cc(ncn2)O)C 27a_100000185769_100000765262 [0,1,0,0,0,1|2,0,0]=4 3450 B17R2.19591 Cc1cccc(c1Nc2cc[nH]c(=O)n2)C 27a_100000185769_200000134032 [0,1,0,0,0,1|2,0,0]=4 3451 B17R2.19591 Cc1cccc(c1Nc2cccc(n2)F)C 27a_100000185769_100009815982 [0,1,0,0,0,1|2,0,0]=4 3452 B17R2.19591 Cc1cccc(c1Nc2ccnc(n2)N)C 27a_100000185769_100000055538 [0,1,0,0,0,1|2,0,0]=4 3453 B17R2.19591 Cc1cccc(c1Nc2cncc(n2)Cl)C 27a_100000185769_100010892449 [0,1,0,0,0,1|1,0,1]=4 3454 B17R2.19591 Cc1cccc(c1Nc2cncc(n2)F)C 27a_100000185769_200009863489 [0,1,0,0,0,1|1,0,1]=4 3455 B17R2.19591 Cc1cccc(c1Nc2nccc(n2)N)C 27a_100000185769_100000757536 [0,1,0,0,0,1|1,0,1]=4 3456 B17R2.19591 Cc1cccc(c1Nc2nccc(n2)O)C 27a_100000185769_100011649813 [0,1,0,0,0,1|1,0,1]=4 3457 B17R2.19591 Cc1cccc(c1Nc2ncnc(n2)N)C 27a_100000185769_100000123831 [0,1,0,0,0,1|1,0,1]=4 3458 B17R2.19591 Cc1cccc(c1Sc2c[n+](ccn2)[O-])C 62a_100000033847_100009880115 [0,1,0,0,0,1|1,0,1]=4 3459 B17R2.19591 Cc1cccc(c1Sc2cc(=O)[nH]cn2)C 62a_100012002517_100000033847 [0,1,0,0,0,1|2,0,0]=4 3460 B17R2.19591 Cc1cccc(c1Sc2cc(=O)cc[nH]2)C 62a_100009817434_100000033847 [0,1,0,0,0,1|2,0,0]=4 3461 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)Cl)C 62a_100000033847_100010167805 [0,1,0,0,0,1|2,0,0]=4 3462 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)Cl)C 62a_100010167805_100000033847 [0,1,0,0,0,1|2,0,0]=4 3463 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)F)C 62a_100000033847_100000764206 [0,1,0,0,0,1|2,0,0]=4 3464 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)F)C 62a_100000764206_100000033847 [0,1,0,0,0,1|2,0,0]=4 3465 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)N)C 62a_100000033847_100009814236 [0,1,0,0,0,1|2,0,0]=4 3466 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)N)C 62a_100009814236_100000033847 [0,1,0,0,0,1|2,0,0]=4 3467 B17R2.19591 Cc1cccc(c1Sc2cc(ccn2)O)C 62a_100000033847_100000762945 [0,1,0,0,0,1|2,0,0]=4 3468 B17R2.19591 Cc1cccc(c1Sc2cc(cnn2)N)C 62a_100000033847_100011996757 [0,1,0,0,0,1|2,0,0]=4 3469 B17R2.19591 Cc1cccc(c1Sc2cc(cnn2)N)C 62a_100011996757_100000033847 [0,1,0,0,0,1|2,0,0]=4 3470 B17R2.19591 Cc1cccc(c1Sc2cc(cnn2)O)C 62a_100000033847_200010734679 [0,1,0,0,0,1|2,0,0]=4 3471 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)Cl)C 62a_100000033847_100010161198 [0,1,0,0,0,1|2,0,0]=4 3472 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)Cl)C 62a_100010161198_100000033847 [0,1,0,0,0,1|2,0,0]=4 3473 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)F)C 62a_100000033847_200009880791 [0,1,0,0,0,1|2,0,0]=4 3474 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)F)C 62a_200009880791_100000033847 [0,1,0,0,0,1|2,0,0]=4 3475 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)N)C 62a_100000033847_100000701291 [0,1,0,0,0,1|2,0,0]=4 3476 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)N)C 62a_100000701291_100000033847 [0,1,0,0,0,1|2,0,0]=4 3477 B17R2.19591 Cc1cccc(c1Sc2cc(ncn2)O)C 62a_100000033847_100000765262 [0,1,0,0,0,1|2,0,0]=4 3478 B17R2.19591 Cc1cccc(c1Sc2cc[nH]c(=O)n2)C 62a_100000033847_200000134032 [0,1,0,0,0,1|2,0,0]=4 3479 B17R2.19591 Cc1cccc(c1Sc2cccc(=O)[nH]2)C 62a_100000033847_100000752884 [0,1,0,0,0,1|2,0,0]=4 3480 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)Br)C 62a_100000033847_100000684672 [0,1,0,0,0,1|2,0,0]=4 3481 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)Br)C 62a_100000684672_100000033847 [0,1,0,0,0,1|2,0,0]=4 3482 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)Cl)C 62a_100000033847_100000051397 [0,1,0,0,0,1|2,0,0]=4 3483 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)Cl)C 62a_100000051397_100000033847 [0,1,0,0,0,1|2,0,0]=4 3484 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)F)C 62a_100000033847_100009815982 [0,1,0,0,0,1|2,0,0]=4 3485 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)F)C 62a_100009815982_100000033847 [0,1,0,0,0,1|2,0,0]=4 3486 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)N)C 62a_100000033847_100000740741 [0,1,0,0,0,1|2,0,0]=4 3487 B17R2.19591 Cc1cccc(c1Sc2cccc(n2)N)C 62a_100000740741_100000033847 [0,1,0,0,0,1|2,0,0]=4 3488 B17R2.19591 Cc1cccc(c1Sc2ccnc(n2)Cl)C 62a_100000033847_100010154678 [0,1,0,0,0,1|2,0,0]=4 3489 B17R2.19591 Cc1cccc(c1Sc2ccnc(n2)Cl)C 62a_100010154678_100000033847 [0,1,0,0,0,1|2,0,0]=4 3490 B17R2.19591 Cc1cccc(c1Sc2ccnc(n2)N)C 62a_100000033847_100000055538 [0,1,0,0,0,1|2,0,0]=4 3491 B17R2.19591 Cc1cccc(c1Sc2ccnc(n2)N)C 62a_100000055538_100000033847 [0,1,0,0,0,1|2,0,0]=4 3492 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)Br)C 62a_100000033847_100000728054 [0,1,0,0,0,1|2,0,0]=4 3493 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)Br)C 62a_100000728054_100000033847 [0,1,0,0,0,1|2,0,0]=4 3494 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)Cl)C 62a_100000033847_100000049639 [0,1,0,0,0,1|2,0,0]=4 3495 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)Cl)C 62a_100000049639_100000033847 [0,1,0,0,0,1|2,0,0]=4 3496 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)F)C 62a_100000033847_100000744099 [0,1,0,0,0,1|2,0,0]=4 3497 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)F)C 62a_100000744099_100000033847 [0,1,0,0,0,1|2,0,0]=4 3498 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)N)C 62a_100000033847_100000687067 [0,1,0,0,0,1|2,0,0]=4 3499 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)N)C 62a_100000687067_100000033847 [0,1,0,0,0,1|2,0,0]=4 3500 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)O)C 62a_100000033847_100000754920 [0,1,0,0,0,1|2,0,0]=4 3501 B17R2.19591 Cc1cccc(c1Sc2cncc(c2)O)C 62a_100000754920_100000033847 [0,1,0,0,0,1|2,0,0]=4 3502 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)Cl)C 62a_100000033847_100010892449 [0,1,0,0,0,1|1,0,1]=4 3503 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)Cl)C 62a_100010892449_100000033847 [0,1,0,0,0,1|1,0,1]=4 3504 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)F)C 62a_100000033847_200009863489 [0,1,0,0,0,1|1,0,1]=4 3505 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)F)C 62a_200009863489_100000033847 [0,1,0,0,0,1|1,0,1]=4 3506 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)N)C 62a_100000033847_100000747728 [0,1,0,0,0,1|1,0,1]=4 3507 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)N)C 62a_100000747728_100000033847 [0,1,0,0,0,1|1,0,1]=4 3508 B17R2.19591 Cc1cccc(c1Sc2cncc(n2)O)C 62a_100000033847_100011269956 [0,1,0,0,0,1|1,0,1]=4 3509 B17R2.19591 Cc1cccc(c1Sc2nccc(n2)N)C 62a_100000033847_100000757536 [0,1,0,0,0,1|1,0,1]=4 3510 B17R2.19591 Cc1cccc(c1Sc2nccc(n2)N)C 62a_100000757536_100000033847 [0,1,0,0,0,1|1,0,1]=4 3511 B17R2.19591 Cc1cccc(c1Sc2nccc(n2)O)C 62a_100000033847_100011649813 [0,1,0,0,0,1|1,0,1]=4 3512 B17R2.19591 Cc1cccc(c1Sc2ncnc(n2)N)C 62a_100000033847_100000123831 [0,1,0,0,0,1|1,0,1]=4 3513 B17R2.19591 Cc1cccc(c1Sc2ncnc(n2)N)C 62a_100000123831_100000033847 [0,1,0,0,0,1|1,0,1]=4 3514 B17R2.19591 Cc1cccc(n1)Sc2c(cccc2C)C 62a_100000033847_100000742759 [0,1,0,0,0,1|2,0,0]=4 3515 B17R2.19591 Cc1cccc(n1)Sc2c(cccc2C)C 62a_100000742759_100000033847 [0,1,0,0,0,1|2,0,0]=4 3516 B17R2.19591 Cc1ccnc(c1)Sc2c(cccc2C)C 62a_100000033847_100000750283 [0,1,0,0,0,1|2,0,0]=4 3517 B17R2.19591 Cc1ccnc(c1)Sc2c(cccc2C)C 62a_100000750283_100000033847 [0,1,0,0,0,1|2,0,0]=4 3518 B17R2.19591 Cc1ccnc(n1)Nc2c(cccc2C)C 27a_100000185769_100000750684 [0,1,0,0,0,1|1,0,1]=4 3519 B17R2.19591 Cc1ccnc(n1)Sc2c(cccc2C)C 62a_100000033847_100011243806 [0,1,0,0,0,1|1,0,1]=4 3520 B17R2.19591 Cc1ccnc(n1)Sc2c(cccc2C)C 62a_100011243806_100000033847 [0,1,0,0,0,1|1,0,1]=4 3521 B17R2.19591 Cc1cncc(c1)Sc2c(cccc2C)C 62a_100000033847_100000760492 [0,1,0,0,0,1|2,0,0]=4 3522 B17R2.19591 Cc1cncc(c1)Sc2c(cccc2C)C 62a_100000760492_100000033847 [0,1,0,0,0,1|2,0,0]=4 3523 B17R2.19591 Cc1cncc(n1)Nc2c(cccc2C)C 27a_100000185769_100000754123 [0,1,0,0,0,1|1,0,1]=4 3524 B17R2.19591 Cc1cncc(n1)Sc2c(cccc2C)C 62a_100000033847_100000754123 [0,1,0,0,0,1|1,0,1]=4 3525 B17R2.19591 Cc1cncc(n1)Sc2c(cccc2C)C 62a_100000754123_100000033847 [0,1,0,0,0,1|1,0,1]=4 3526 B17R2.19591 Cc1cnnc(c1)Nc2c(cccc2C)C 27a_100000185769_100000070100 [0,1,0,0,0,1|2,0,0]=4 3527 B17R2.19591 Cc1cnnc(c1)Sc2c(cccc2C)C 62a_100000033847_100000070100 [0,1,0,0,0,1|2,0,0]=4 3528 B17R2.19591 Cc1cnnc(c1)Sc2c(cccc2C)C 62a_100000070100_100000033847 [0,1,0,0,0,1|2,0,0]=4 3529 B17R2.19591 Cc1nccc(n1)Nc2c(cccc2C)C 27a_100000185769_100000749937 [0,1,0,0,0,1|2,0,0]=4 3530 B17R2.19591 Cc1nccc(n1)Sc2c(cccc2C)C 62a_100000033847_100000749937 [0,1,0,0,0,1|2,0,0]=4 3531 B17R2.19591 Cc1nccc(n1)Sc2c(cccc2C)C 62a_100000749937_100000033847 [0,1,0,0,0,1|2,0,0]=4 3532 B17R2.24354 Cc1cccc(c1Nc2ncccc2Br)C 27a_100000185769_100000696092 [0,1,0,0,0,1|2,0,0]=4 3533 B17R2.24354 Cc1cccc(c1Nc2nccnc2C)C 27a_100000185769_100011999405 [0,1,0,0,0,1|1,0,1]=4 3534 B17R2.24354 Cc1cccc(c1Nc2nccnc2F)C 27a_100000185769_200010125657 [0,1,0,0,0,1|1,0,1]=4 3535 B17R2.24354 Cc1cccc(c1Nc2ncncc2F)C 27a_100000185769_100000069762 [0,1,0,0,0,1|2,0,0]=4 3536 B17R2.24354 Cc1cccc(c1Nc2ncncc2N)C 27a_100000185769_100000709731 [0,1,0,0,0,1|2,0,0]=4 3537 B17R2.24354 Cc1cccc(c1Sc2c[nH]ccc2=O)C 62a_100000033847_100009998708 [0,1,0,0,0,1|2,0,0]=4 3538 B17R2.24354 Cc1cccc(c1Sc2c[nH]ccc2=O)C 62a_100009998708_100000033847 [0,1,0,0,0,1|2,0,0]=4 3539 B17R2.24354 Cc1cccc(c1Sc2c[nH]ccc2=S)C 62a_100000033847_200012280681 [0,1,0,0,0,1|2,0,0]=4 3540 B17R2.24354 Cc1cccc(c1Sc2c[nH]ccc2=S)C 62a_200012280681_100000033847 [0,1,0,0,0,1|2,0,0]=4 3541 B17R2.24354 Cc1cccc(c1Sc2cccnc2Br)C 62a_100000033847_100010202626 [0,1,0,0,0,1|2,0,0]=4 3542 B17R2.24354 Cc1cccc(c1Sc2cccnc2Br)C 62a_100010202626_100000033847 [0,1,0,0,0,1|2,0,0]=4 3543 B17R2.24354 Cc1cccc(c1Sc2cccnc2C)C 62a_100000033847_100000751574 [0,1,0,0,0,1|2,0,0]=4 3544 B17R2.24354 Cc1cccc(c1Sc2cccnc2C)C 62a_100000751574_100000033847 [0,1,0,0,0,1|2,0,0]=4 3545 B17R2.24354 Cc1cccc(c1Sc2cccnc2Cl)C 62a_100000033847_100000036424 [0,1,0,0,0,1|2,0,0]=4 3546 B17R2.24354 Cc1cccc(c1Sc2cccnc2Cl)C 62a_100000036424_100000033847 [0,1,0,0,0,1|2,0,0]=4 3547 B17R2.24354 Cc1cccc(c1Sc2cccnc2F)C 62a_100000033847_100009816115 [0,1,0,0,0,1|2,0,0]=4 3548 B17R2.24354 Cc1cccc(c1Sc2cccnc2F)C 62a_100009816115_100000033847 [0,1,0,0,0,1|2,0,0]=4 3549 B17R2.24354 Cc1cccc(c1Sc2cccnc2N)C 62a_100000033847_100000045569 [0,1,0,0,0,1|2,0,0]=4 3550 B17R2.24354 Cc1cccc(c1Sc2cccnc2N)C 62a_100000045569_100000033847 [0,1,0,0,0,1|2,0,0]=4 3551 B17R2.24354 Cc1cccc(c1Sc2cccnc2O)C 62a_100000033847_100000760158 [0,1,0,0,0,1|2,0,0]=4 3552 B17R2.24354 Cc1cccc(c1Sc2cccnc2O)C 62a_100000760158_100000033847 [0,1,0,0,0,1|2,0,0]=4 3553 B17R2.24354 Cc1cccc(c1Sc2cnccc2Br)C 62a_100000033847_100010138639 [0,1,0,0,0,1|2,0,0]=4 3554 B17R2.24354 Cc1cccc(c1Sc2cnccc2Br)C 62a_100010138639_100000033847 [0,1,0,0,0,1|2,0,0]=4 3555 B17R2.24354 Cc1cccc(c1Sc2cnccc2Cl)C 62a_100000033847_100009995489 [0,1,0,0,0,1|2,0,0]=4 3556 B17R2.24354 Cc1cccc(c1Sc2cnccc2Cl)C 62a_100009995489_100000033847 [0,1,0,0,0,1|2,0,0]=4 3557 B17R2.24354 Cc1cccc(c1Sc2cnccc2F)C 62a_100000033847_100009820683 [0,1,0,0,0,1|2,0,0]=4 3558 B17R2.24354 Cc1cccc(c1Sc2cnccc2F)C 62a_100009820683_100000033847 [0,1,0,0,0,1|2,0,0]=4 3559 B17R2.24354 Cc1cccc(c1Sc2cnccc2N)C 62a_100000033847_100000047001 [0,1,0,0,0,1|2,0,0]=4 3560 B17R2.24354 Cc1cccc(c1Sc2cnccc2N)C 62a_100000047001_100000033847 [0,1,0,0,0,1|2,0,0]=4 3561 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)Br 62a_100010141302_100000763361 [0,1,0,0,0,1|2,0,0]=4 3562 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)C 62a_100000033847_100000763361 [0,1,0,0,0,1|1,0,0]=3 3563 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)Cl 62a_100000043165_100000763361 [0,1,0,0,0,1|2,0,0]=4 3564 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)F 62a_100011218421_100000763361 [0,1,0,0,0,1|2,0,0]=4 3565 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)N 62a_100000684715_100000763361 [0,1,0,0,0,1|2,0,0]=4 3566 B17R2.24354 Cc1cccc(c1Sc2ncc[nH]c2=O)O 62a_100000686692_100000763361 [0,1,0,0,0,1|2,0,0]=4 3567 B17R2.24354 Cc1cccc(c1Sc2ncccc2Br)C 62a_100000033847_100000696092 [0,1,0,0,0,1|2,0,0]=4 3568 B17R2.24354 Cc1cccc(c1Sc2ncccc2Br)C 62a_100000696092_100000033847 [0,1,0,0,0,1|2,0,0]=4 3569 B17R2.24354 Cc1cccc(c1Sc2ncccc2Cl)C 62a_100000033847_100011356963 [0,1,0,0,0,1|2,0,0]=4 3570 B17R2.24354 Cc1cccc(c1Sc2ncccc2Cl)C 62a_100011356963_100000033847 [0,1,0,0,0,1|2,0,0]=4 3571 B17R2.24354 Cc1cccc(c1Sc2ncccc2F)C 62a_100000033847_100000685392 [0,1,0,0,0,1|2,0,0]=4 3572 B17R2.24354 Cc1cccc(c1Sc2ncccc2F)C 62a_100000685392_100000033847 [0,1,0,0,0,1|2,0,0]=4 3573 B17R2.24354 Cc1cccc(c1Sc2ncccc2N)C 62a_100000033847_100000688686 [0,1,0,0,0,1|2,0,0]=4 3574 B17R2.24354 Cc1cccc(c1Sc2ncccc2N)C 62a_100000688686_100000033847 [0,1,0,0,0,1|2,0,0]=4 3575 B17R2.24354 Cc1cccc(c1Sc2ncccc2O)C 62a_100000033847_100000034122 [0,1,0,0,0,1|2,0,0]=4 3576 B17R2.24354 Cc1cccc(c1Sc2ncccc2O)C 62a_100000034122_100000033847 [0,1,0,0,0,1|2,0,0]=4 3577 B17R2.24354 Cc1cccc(c1Sc2nccnc2C)C 62a_100000033847_100011999405 [0,1,0,0,0,1|1,0,1]=4 3578 B17R2.24354 Cc1cccc(c1Sc2nccnc2C)C 62a_100011999405_100000033847 [0,1,0,0,0,1|1,0,1]=4 3579 B17R2.24354 Cc1cccc(c1Sc2nccnc2Cl)C 62a_100000033847_100010886584 [0,1,0,0,0,1|1,0,1]=4 3580 B17R2.24354 Cc1cccc(c1Sc2nccnc2Cl)C 62a_100010886584_100000033847 [0,1,0,0,0,1|1,0,1]=4 3581 B17R2.24354 Cc1cccc(c1Sc2nccnc2F)C 62a_100000033847_200010125657 [0,1,0,0,0,1|1,0,1]=4 3582 B17R2.24354 Cc1cccc(c1Sc2nccnc2F)C 62a_200010125657_100000033847 [0,1,0,0,0,1|1,0,1]=4 3583 B17R2.24354 Cc1cccc(c1Sc2nccnc2N)C 62a_100000033847_100000747729 [0,1,0,0,0,1|1,0,1]=4 3584 B17R2.24354 Cc1cccc(c1Sc2nccnc2N)C 62a_100000747729_100000033847 [0,1,0,0,0,1|1,0,1]=4 3585 B17R2.24354 Cc1cccc(c1Sc2ncncc2F)C 62a_100000033847_100000069762 [0,1,0,0,0,1|2,0,0]=4 3586 B17R2.24354 Cc1cccc(c1Sc2ncncc2F)C 62a_100000069762_100000033847 [0,1,0,0,0,1|2,0,0]=4 3587 B17R2.24354 Cc1cccc(c1Sc2ncncc2N)C 62a_100000033847_100000709731 [0,1,0,0,0,1|2,0,0]=4 3588 B17R2.24354 Cc1cccc(c1Sc2ncncc2N)C 62a_100000709731_100000033847 [0,1,0,0,0,1|2,0,0]=4 3589 B17R2.24354 Cc1cccnc1Sc2c(cccc2C)C 62a_100000033847_100000751373 [0,1,0,0,0,1|2,0,0]=4 3590 B17R2.24354 Cc1cccnc1Sc2c(cccc2C)C 62a_100000751373_100000033847 [0,1,0,0,0,1|2,0,0]=4 3591 B17R2.24354 Cc1ccnc(c1Sc2ncc[nH]c2=O)C 62a_100012000501_100000763361 [0,1,0,0,0,1|2,0,0]=4 3592 B17R2.24354 Cc1ccncc1Sc2c(cccc2C)C 62a_100000033847_100000761580 [0,1,0,0,0,1|2,0,0]=4 3593 B17R2.24354 Cc1ccncc1Sc2c(cccc2C)C 62a_100000761580_100000033847 [0,1,0,0,0,1|2,0,0]=4 3594 B17R2.24354 Cc1ccnnc1Nc2c(cccc2C)C 27a_100000185769_100000089043 [0,1,0,0,0,1|2,0,0]=4 3595 B17R2.24354 Cc1ccnnc1Sc2c(cccc2C)C 62a_100000033847_100000089043 [0,1,0,0,0,1|2,0,0]=4 3596 B17R2.24354 Cc1cncc(c1Sc2ncc[nH]c2=O)C 62a_100009817138_100000763361 [0,1,0,0,0,1|2,0,0]=4 3597 B17R2.24354 Cc1cncnc1Nc2c(cccc2C)C 27a_100000185769_100011998708 [0,1,0,0,0,1|2,0,0]=4 3598 B17R2.24354 Cc1cncnc1Sc2c(cccc2C)C 62a_100000033847_100011998708 [0,1,0,0,0,1|2,0,0]=4 3599 B17R2.24354 Cc1cncnc1Sc2c(cccc2C)C 62a_100011998708_100000033847 [0,1,0,0,0,1|2,0,0]=4 3600 B17R2.38423 Cc1c[nH]nc1SCc2c(cccc2C)C 62a_100000758300_100009871783 [0,1,0,0,0,1|2,0,0]=4 3601 B17R2.38423 Cc1c[nH]nc1SCc2c(cccc2C)C 62a_100009871783_100000758300 [0,1,0,0,0,1|2,0,0]=4 3602 B17R2.38423 Cc1ccc[n+](c1SCc2nccn2C)[O-] 62a_100000700302_100116209805 [0,1,0,0,0,1|2,0,0]=4 3603 B17R2.38423 Cc1cccc(c1CNc2ncnn2C)C 27a_100000689800_100000732653 [0,1,0,0,0,1|1,0,0]=3 3604 B17R2.38423 Cc1cccc(c1CNc2ncnn2C)F 27a_100000762012_100000732653 [0,1,0,0,0,1|2,0,0]=4 3605 B17R2.38423 Cc1cccc(c1COc2ccnn2C)C 34a_100020632926_100000758300 [0,1,0,0,0,1|2,0,0]=4 3606 B17R2.38423 Cc1cccc(c1CSc2[nH]cnc2Cl)C 62a_100000758300_100010200774 [0,1,0,0,0,1|2,0,0]=4 3607 B17R2.38423 Cc1cccc(c1CSc2[nH]cnc2Cl)C 62a_100010200774_100000758300 [0,1,0,0,0,1|2,0,0]=4 3608 B17R2.38423 Cc1cccc(c1CSc2ccnn2C)C 62a_100000688441_100000758300 [0,1,0,0,0,1|2,0,0]=4 3609 B17R2.38423 Cc1cccc(c1CSc2ccnn2C)C 62a_100000758300_100000688441 [0,1,0,0,0,1|2,0,0]=4 3610 B17R2.38423 Cc1cccc(c1CSc2cncn2C)C 62a_100000758300_100009814087 [0,1,0,0,0,1|2,0,0]=4 3611 B17R2.38423 Cc1cccc(c1CSc2cncn2C)C 62a_100009814087_100000758300 [0,1,0,0,0,1|2,0,0]=4 3612 B17R2.38423 Cc1cccc(c1CSc2n[nH]cc2Br)C 62a_100000758300_100015839836 [0,1,0,0,0,1|2,0,0]=4 3613 B17R2.38423 Cc1cccc(c1CSc2n[nH]cc2Br)C 62a_100015839836_100000758300 [0,1,0,0,0,1|2,0,0]=4 3614 B17R2.38423 Cc1cccc(c1CSc2n[nH]cc2N)C 62a_100000758300_100010894806 [0,1,0,0,0,1|2,0,0]=4 3615 B17R2.38423 Cc1cccc(c1CSc2n[nH]cc2N)C 62a_100010894806_100000758300 [0,1,0,0,0,1|2,0,0]=4 3616 B17R2.38423 Cc1cccc(c1CSc2nc[nH]c2C)C 62a_100000758300_100010186451 [0,1,0,0,0,1|2,0,0]=4 3617 B17R2.38423 Cc1cccc(c1CSc2nc[nH]c2C)C 62a_100010186451_100000758300 [0,1,0,0,0,1|2,0,0]=4 3618 B17R2.38423 Cc1cccc(c1CSc2nccn2C)Br 62a_100000707724_100010146847 [0,1,0,0,0,1|1,0,0]=3 3619 B17R2.38423 Cc1cccc(c1CSc2nccn2C)Br 62a_100010146847_100000707724 [0,1,0,0,0,1|1,0,0]=3 3620 B17R2.38423 Cc1cccc(c1CSc2nccn2C)C 62a_100000707724_100000758300 [0,1,0,0,0,1|0,0,0]=2 3621 B17R2.38423 Cc1cccc(c1CSc2nccn2C)C 62a_100000758300_100000707724 [0,1,0,0,0,1|0,0,0]=2 3622 B17R2.38423 Cc1cccc(c1CSc2nccn2C)F 62a_100000707724_100009814554 [0,1,0,0,0,1|1,0,0]=3 3623 B17R2.38423 Cc1cccc(c1CSc2nccn2C)F 62a_100009814554_100000707724 [0,1,0,0,0,1|1,0,0]=3 3624 B17R2.38423 Cc1cccc(c1CSc2nccn2C)I 62a_100000707724_100010150146 [0,1,0,0,0,1|1,0,0]=3 3625 B17R2.38423 Cc1cccc(c1CSc2nccn2C)I 62a_100010150146_100000707724 [0,1,0,0,0,1|1,0,0]=3 3626 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)Br 62a_100000732653_100010146847 [0,1,0,0,0,1|2,0,0]=4 3627 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)Br 62a_100010146847_100000732653 [0,1,0,0,0,1|2,0,0]=4 3628 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)C 62a_100000732653_100000758300 [0,1,0,0,0,1|1,0,0]=3 3629 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)C 62a_100000758300_100000732653 [0,1,0,0,0,1|1,0,0]=3 3630 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)F 62a_100000732653_100009814554 [0,1,0,0,0,1|2,0,0]=4 3631 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)F 62a_100009814554_100000732653 [0,1,0,0,0,1|2,0,0]=4 3632 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)I 62a_100000732653_100010150146 [0,1,0,0,0,1|2,0,0]=4 3633 B17R2.38423 Cc1cccc(c1CSc2ncnn2C)I 62a_100010150146_100000732653 [0,1,0,0,0,1|2,0,0]=4 3634 B17R2.38423 Cc1cccc(c1CSc2ncsc2C)C 62a_100000732656_100000758300 [0,1,0,0,0,1|2,0,0]=4 3635 B17R2.38423 Cc1cccc(c1CSc2ncsc2C)C 62a_100000758300_100000732656 [0,1,0,0,0,1|2,0,0]=4 3636 B17R2.38423 Cc1cccc(c1CSc2sccc2Br)C 62a_100000758300_100012361411 [0,1,0,0,0,1|2,0,0]=4 3637 B17R2.38423 Cc1cccc(c1CSc2sccc2Br)C 62a_100012361411_100000758300 [0,1,0,0,0,1|2,0,0]=4 3638 B17R2.38423 Cc1cccc(c1NCc2[nH]ncc2Br)C 207a_100000185769_100000732679 [0,1,0,0,0,1|2,0,0]=4 3639 B17R2.38423 Cc1cccc(c1NCc2ccnn2C)C 207a_100000185769_100000737161 [0,1,0,0,0,1|2,0,0]=4 3640 B17R2.38423 Cc1cccc(c1NCc2ccnn2C)C 34a_100000185769_100000691648 [0,1,0,0,0,1|2,0,0]=4 3641 B17R2.38423 Cc1cccc(c1NCc2cncn2C)C 207a_100000185769_100000750899 [0,1,0,0,0,1|2,0,0]=4 3642 B17R2.38423 Cc1cccc(c1NCc2n[nH]cc2Cl)C 207a_100000185769_100000040271 [0,1,0,0,0,1|2,0,0]=4 3643 B17R2.38423 Cc1cccc(c1NCc2nc[nH]c2C)C 207a_100000185769_100000032982 [0,1,0,0,0,1|2,0,0]=4 3644 B17R2.38423 Cc1cccc(c1NCc2nccn2C)Br 34a_100011834072_100000700302 [0,1,0,0,0,1|1,0,0]=3 3645 B17R2.38423 Cc1cccc(c1NCc2nccn2C)C 207a_100000185769_100000748660 [0,1,0,0,0,1|0,0,0]=2 3646 B17R2.38423 Cc1cccc(c1NCc2nccn2C)C 34a_100000185769_100000700302 [0,1,0,0,0,1|0,0,0]=2 3647 B17R2.38423 Cc1cccc(c1NCc2nccn2C)Cl 34a_100000756524_100000700302 [0,1,0,0,0,1|1,0,0]=3 3648 B17R2.38423 Cc1cccc(c1NCc2nccn2C)F 207a_100000766463_100000748660 [0,1,0,0,0,1|1,0,0]=3 3649 B17R2.38423 Cc1cccc(c1NCc2nccn2C)F 34a_100000766463_100000700302 [0,1,0,0,0,1|1,0,0]=3 3650 B17R2.38423 Cc1cccc(c1NCc2nccn2C)O 34a_100000743429_100000700302 [0,1,0,0,0,1|1,0,0]=3 3651 B17R2.38423 Cc1cccc(c1NCc2ncoc2C)C 34a_100000185769_200000693990 [0,1,0,0,0,1|2,0,0]=4 3652 B17R2.38423 Cc1cccc(c1NCc2sccc2Br)C 207a_100000185769_100000766043 [0,1,0,0,0,1|2,0,0]=4 3653 B17R2.38423 Cc1cccc(c1NCc2sccc2Cl)C 207a_100000185769_100000722334 [0,1,0,0,0,1|2,0,0]=4 3654 B17R2.38423 Cc1cccc(c1OCc2ccnn2C)C 34a_100000210341_100000691648 [0,1,0,0,0,1|2,0,0]=4 3655 B17R2.38423 Cc1cccc(c1OCc2ccnn2C)C 7a_100000210341_100000691648 [0,1,0,0,0,1|2,0,0]=4 3656 B17R2.38423 Cc1cccc(c1OCc2nccn2C)Br 34a_100009817157_100000700302 [0,1,0,0,0,1|1,0,0]=3 3657 B17R2.38423 Cc1cccc(c1OCc2nccn2C)Br 7a_100009817157_100000700302 [0,1,0,0,0,1|1,0,0]=3 3658 B17R2.38423 Cc1cccc(c1OCc2nccn2C)C 34a_100000210341_100000700302 [0,1,0,0,0,1|0,0,0]=2 3659 B17R2.38423 Cc1cccc(c1OCc2nccn2C)C 7a_100000210341_100000700302 [0,1,0,0,0,1|0,0,0]=2 3660 B17R2.38423 Cc1cccc(c1OCc2nccn2C)Cl 34a_100000033731_100000700302 [0,1,0,0,0,1|1,0,0]=3 3661 B17R2.38423 Cc1cccc(c1OCc2nccn2C)Cl 7a_100000033731_100000700302 [0,1,0,0,0,1|1,0,0]=3 3662 B17R2.38423 Cc1cccc(c1OCc2nccn2C)F 34a_100011659162_100000700302 [0,1,0,0,0,1|1,0,0]=3 3663 B17R2.38423 Cc1cccc(c1OCc2nccn2C)F 7a_100011659162_100000700302 [0,1,0,0,0,1|1,0,0]=3 3664 B17R2.38423 Cc1cccc(c1OCc2nccn2C)N 34a_100000756359_100000700302 [0,1,0,0,0,1|1,0,0]=3 3665 B17R2.38423 Cc1cccc(c1OCc2nccn2C)N 7a_100000756359_100000700302 [0,1,0,0,0,1|1,0,0]=3 3666 B17R2.38423 Cc1cccc(c1OCc2ncoc2C)C 34a_100000210341_200000693990 [0,1,0,0,0,1|2,0,0]=4 3667 B17R2.38423 Cc1cccc(c1OCc2ncoc2C)C 7a_100000210341_200000693990 [0,1,0,0,0,1|2,0,0]=4 3668 B17R2.38423 Cc1cccc(c1SCc2ccnn2C)C 62a_100000033847_100000691648 [0,1,0,0,0,1|2,0,0]=4 3669 B17R2.38423 Cc1cccc(c1SCc2ccnn2C)C 62a_100000691648_100000033847 [0,1,0,0,0,1|2,0,0]=4 3670 B17R2.38423 Cc1cccc(c1SCc2nc[nH]c2C)C 62a_100000033847_100000751220 [0,1,0,0,0,1|2,0,0]=4 3671 B17R2.38423 Cc1cccc(c1SCc2nc[nH]c2C)C 62a_100000751220_100000033847 [0,1,0,0,0,1|2,0,0]=4 3672 B17R2.38423 Cc1cccc(c1SCc2nccn2C)Br 62a_100000700302_100010141302 [0,1,0,0,0,1|1,0,0]=3 3673 B17R2.38423 Cc1cccc(c1SCc2nccn2C)Br 62a_100010141302_100000700302 [0,1,0,0,0,1|1,0,0]=3 3674 B17R2.38423 Cc1cccc(c1SCc2nccn2C)C 62a_100000033847_100000700302 [0,1,0,0,0,1|0,0,0]=2 3675 B17R2.38423 Cc1cccc(c1SCc2nccn2C)C 62a_100000700302_100000033847 [0,1,0,0,0,1|0,0,0]=2 3676 B17R2.38423 Cc1cccc(c1SCc2nccn2C)Cl 62a_100000043165_100000700302 [0,1,0,0,0,1|1,0,0]=3 3677 B17R2.38423 Cc1cccc(c1SCc2nccn2C)Cl 62a_100000700302_100000043165 [0,1,0,0,0,1|1,0,0]=3 3678 B17R2.38423 Cc1cccc(c1SCc2nccn2C)F 62a_100000700302_100011218421 [0,1,0,0,0,1|1,0,0]=3 3679 B17R2.38423 Cc1cccc(c1SCc2nccn2C)F 62a_100011218421_100000700302 [0,1,0,0,0,1|1,0,0]=3 3680 B17R2.38423 Cc1cccc(c1SCc2nccn2C)N 62a_100000684715_100000700302 [0,1,0,0,0,1|1,0,0]=3 3681 B17R2.38423 Cc1cccc(c1SCc2nccn2C)N 62a_100000700302_100000684715 [0,1,0,0,0,1|1,0,0]=3 3682 B17R2.38423 Cc1cccc(c1SCc2nccn2C)O 62a_100000686692_100000700302 [0,1,0,0,0,1|1,0,0]=3 3683 B17R2.38423 Cc1cccc(c1SCc2nccn2C)O 62a_100000700302_100000686692 [0,1,0,0,0,1|1,0,0]=3 3684 B17R2.38423 Cc1cccc(c1SCc2ncoc2C)C 62a_100000033847_200000693990 [0,1,0,0,0,1|2,0,0]=4 3685 B17R2.38423 Cc1cccc(c1SCc2ncoc2C)C 62a_200000693990_100000033847 [0,1,0,0,0,1|2,0,0]=4 3686 B17R2.38423 Cc1ccnc(c1NCc2nccn2C)F 27a_100015186572_100009818256 [0,1,0,0,0,1|2,0,0]=4 3687 B17R2.38423 Cc1ccnc(c1OCc2nccn2C)C 34a_100011934651_100000700302 [0,1,0,0,0,1|1,0,0]=3 3688 B17R2.38423 Cc1ccnc(c1OCc2nccn2C)C 7a_100011934651_100000700302 [0,1,0,0,0,1|1,0,0]=3 3689 B17R2.38423 Cc1ccnc(c1OCc2nccn2C)Cl 34a_100000696282_100000700302 [0,1,0,0,0,1|2,0,0]=4 3690 B17R2.38423 Cc1ccnc(c1OCc2nccn2C)Cl 7a_100000696282_100000700302 [0,1,0,0,0,1|2,0,0]=4 3691 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)C 62a_100000700302_100012000501 [0,1,0,0,0,1|1,0,0]=3 3692 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)C 62a_100012000501_100000700302 [0,1,0,0,0,1|1,0,0]=3 3693 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)Cl 62a_100000700302_100010248874 [0,1,0,0,0,1|2,0,0]=4 3694 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)Cl 62a_100010248874_100000700302 [0,1,0,0,0,1|2,0,0]=4 3695 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)F 62a_100000700302_100009818256 [0,1,0,0,0,1|2,0,0]=4 3696 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)F 62a_100009818256_100000700302 [0,1,0,0,0,1|2,0,0]=4 3697 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)N 62a_100000700302_100011998619 [0,1,0,0,0,1|2,0,0]=4 3698 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)N 62a_100011998619_100000700302 [0,1,0,0,0,1|2,0,0]=4 3699 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)O 62a_100000700302_100012000493 [0,1,0,0,0,1|2,0,0]=4 3700 B17R2.38423 Cc1ccnc(c1SCc2nccn2C)O 62a_100012000493_100000700302 [0,1,0,0,0,1|2,0,0]=4 3701 B17R2.38423 Cc1ccoc1CNc2c(cccc2C)C 207a_100000185769_100000763527 [0,1,0,0,0,1|2,0,0]=4 3702 B17R2.38423 Cc1ccsc1CNc2c(cccc2C)C 207a_100000185769_100000210881 [0,1,0,0,0,1|2,0,0]=4 3703 B17R2.38423 Cc1ccsc1SCc2c(cccc2C)C 62a_100000758300_100010247149 [0,1,0,0,0,1|2,0,0]=4 3704 B17R2.38423 Cc1ccsc1SCc2c(cccc2C)C 62a_100010247149_100000758300 [0,1,0,0,0,1|2,0,0]=4 3705 B17R2.38423 Cc1cn[nH]c1CNc2c(cccc2C)C 207a_100000185769_100000708485 [0,1,0,0,0,1|2,0,0]=4 3706 B17R2.38423 Cc1cncc(c1SCc2nccn2C)C 62a_100000700302_100009817138 [0,1,0,0,0,1|1,0,0]=3 3707 B17R2.38423 Cc1cncc(c1SCc2nccn2C)C 62a_100009817138_100000700302 [0,1,0,0,0,1|1,0,0]=3 3708 B17R2.38423 Cc1nccc(c1SCc2nccn2C)N 62a_100000700302_100010243816 [0,1,0,0,0,1|2,0,0]=4 3709 B17R2.38423 Cc1nccc(c1SCc2nccn2C)N 62a_100010243816_100000700302 [0,1,0,0,0,1|2,0,0]=4 3710 B17R2.38423 Cc1ncnc(c1NCc2nccn2C)C 27a_100015186572_100009820708 [0,1,0,0,0,1|2,0,0]=4 3711 B17R2.38423 Cc1ncnc(c1OCc2nccn2C)C 34a_100009878406_100000700302 [0,1,0,0,0,1|2,0,0]=4 3712 B17R2.38423 Cc1ncnc(c1OCc2nccn2C)C 7a_100009878406_100000700302 [0,1,0,0,0,1|2,0,0]=4 3713 B17R2.38423 Cc1ncnc(c1SCc2nccn2C)C 62a_100000700302_100009820708 [0,1,0,0,0,1|2,0,0]=4 3714 B17R2.38423 Cc1ncnc(c1SCc2nccn2C)C 62a_100009820708_100000700302 [0,1,0,0,0,1|2,0,0]=4 3715 B17R2.38423 Cc1occc(=O)c1OCc2nccn2C 34a_100000031901_100000700302 [0,1,0,0,0,1|2,0,0]=4 3716 B17R2.38423 Cn1ccnc1CNc2c(cccc2Br)Br 34a_100000690995_100000700302 [0,1,0,0,0,1|2,0,0]=4 3717 B17R2.38423 Cn1ccnc1CNc2c(cccc2Br)Cl 34a_100102946385_100000700302 [0,1,0,0,0,1|2,0,0]=4 3718 B17R2.38423 Cn1ccnc1CNc2c(cccc2Br)F 34a_100000684712_100000700302 [0,1,0,0,0,1|2,0,0]=4 3719 B17R2.38423 Cn1ccnc1CNc2c(cccc2Br)O 34a_100011934926_100000700302 [0,1,0,0,0,1|2,0,0]=4 3720 B17R2.38423 Cn1ccnc1CNc2c(cccc2Cl)Cl 34a_100000210028_100000700302 [0,1,0,0,0,1|2,0,0]=4 3721 B17R2.38423 Cn1ccnc1CNc2c(cccc2Cl)F 34a_100000760031_100000700302 [0,1,0,0,0,1|2,0,0]=4 3722 B17R2.38423 Cn1ccnc1CNc2c(cccc2Cl)O 34a_100012022510_100000700302 [0,1,0,0,0,1|2,0,0]=4 3723 B17R2.38423 Cn1ccnc1CNc2c(cccc2F)F 207a_100000210704_100000748660 [0,1,0,0,0,1|2,0,0]=4 3724 B17R2.38423 Cn1ccnc1CNc2c(cccc2F)F 2230a_100000210704_100000700302 [0,1,0,0,0,1|2,0,0]=4 3725 B17R2.38423 Cn1ccnc1CNc2c(cccc2F)F 34a_100000210704_100000700302 [0,1,0,0,0,1|2,0,0]=4 3726 B17R2.38423 Cn1ccnc1CNc2c(cccc2F)O 34a_100020591140_100000700302 [0,1,0,0,0,1|2,0,0]=4 3727 B17R2.38423 Cn1ccnc1CNc2c(cccc2I)F 34a_100000042321_100000700302 [0,1,0,0,0,1|2,0,0]=4 3728 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)Br 34a_100000736428_100000700302 [0,1,0,0,0,1|2,0,0]=4 3729 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)Br 7a_100000736428_100000700302 [0,1,0,0,0,1|2,0,0]=4 3730 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)Cl 34a_100010214474_100000700302 [0,1,0,0,0,1|2,0,0]=4 3731 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)Cl 7a_100010214474_100000700302 [0,1,0,0,0,1|2,0,0]=4 3732 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)F 34a_100009813666_100000700302 [0,1,0,0,0,1|2,0,0]=4 3733 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)F 7a_100009813666_100000700302 [0,1,0,0,0,1|2,0,0]=4 3734 B17R2.38423 Cn1ccnc1COc2c(cccc2Br)N 34a_100011934915_100000700302 [0,1,0,0,0,1|2,0,0]=4 3735 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)Cl 34a_100000211709_100000700302 [0,1,0,0,0,1|2,0,0]=4 3736 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)Cl 7a_100000211709_100000700302 [0,1,0,0,0,1|2,0,0]=4 3737 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)F 34a_100000694953_100000700302 [0,1,0,0,0,1|2,0,0]=4 3738 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)F 7a_100000694953_100000700302 [0,1,0,0,0,1|2,0,0]=4 3739 B17R2.38423 Cn1ccnc1COc2c(cccc2Cl)N 34a_100000754742_100000700302 [0,1,0,0,0,1|2,0,0]=4 3740 B17R2.38423 Cn1ccnc1COc2c(cccc2F)F 34a_100000230165_100000700302 [0,1,0,0,0,1|2,0,0]=4 3741 B17R2.38423 Cn1ccnc1COc2c(cccc2F)F 7a_100000230165_100000700302 [0,1,0,0,0,1|2,0,0]=4 3742 B17R2.38423 Cn1ccnc1COc2c(cccc2F)N 34a_100011934987_100000700302 [0,1,0,0,0,1|2,0,0]=4 3743 B17R2.38423 Cn1ccnc1COc2c(cccc2I)Br 34a_100010084509_100000700302 [0,1,0,0,0,1|2,0,0]=4 3744 B17R2.38423 Cn1ccnc1COc2c(cccc2I)Br 7a_100010084509_100000700302 [0,1,0,0,0,1|2,0,0]=4 3745 B17R2.38423 Cn1ccnc1COc2c(cccc2I)Cl 34a_100010202889_100000700302 [0,1,0,0,0,1|2,0,0]=4 3746 B17R2.38423 Cn1ccnc1COc2c(cccc2I)Cl 7a_100010202889_100000700302 [0,1,0,0,0,1|2,0,0]=4 3747 B17R2.38423 Cn1ccnc1COc2c(cccc2I)F 34a_100010186298_100000700302 [0,1,0,0,0,1|2,0,0]=4 3748 B17R2.38423 Cn1ccnc1COc2c(cccc2I)F 7a_100010186298_100000700302 [0,1,0,0,0,1|2,0,0]=4 3749 B17R2.38423 Cn1ccnc1COc2c(cccc2I)N 34a_100010084371_100000700302 [0,1,0,0,0,1|2,0,0]=4 3750 B17R2.38423 Cn1ccnc1COc2c(cccc2N)N 34a_200016994477_100000700302 [0,1,0,0,0,1|2,0,0]=4 3751 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)Br 62a_100000700302_100009994525 [0,1,0,0,0,1|2,0,0]=4 3752 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)Br 62a_100009994525_100000700302 [0,1,0,0,0,1|2,0,0]=4 3753 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)Cl 62a_100000700302_100010214488 [0,1,0,0,0,1|2,0,0]=4 3754 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)Cl 62a_100010214488_100000700302 [0,1,0,0,0,1|2,0,0]=4 3755 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)F 62a_100000700302_100011219512 [0,1,0,0,0,1|2,0,0]=4 3756 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)F 62a_100011219512_100000700302 [0,1,0,0,0,1|2,0,0]=4 3757 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)N 62a_100000700302_100020590159 [0,1,0,0,0,1|2,0,0]=4 3758 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)N 62a_100020590159_100000700302 [0,1,0,0,0,1|2,0,0]=4 3759 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)O 62a_100000700302_100010187912 [0,1,0,0,0,1|2,0,0]=4 3760 B17R2.38423 Cn1ccnc1CSc2c(cccc2Br)O 62a_100010187912_100000700302 [0,1,0,0,0,1|2,0,0]=4 3761 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)Cl 62a_100000034237_100000700302 [0,1,0,0,0,1|2,0,0]=4 3762 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)Cl 62a_100000700302_100000034237 [0,1,0,0,0,1|2,0,0]=4 3763 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)F 62a_100000050007_100000700302 [0,1,0,0,0,1|2,0,0]=4 3764 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)F 62a_100000700302_100000050007 [0,1,0,0,0,1|2,0,0]=4 3765 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)N 62a_100000049713_100000700302 [0,1,0,0,0,1|2,0,0]=4 3766 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)N 62a_100000700302_100000049713 [0,1,0,0,0,1|2,0,0]=4 3767 B17R2.38423 Cn1ccnc1CSc2c(cccc2Cl)O 62a_100000700302_100000050174 [0,1,0,0,0,1|2,0,0]=4 3768 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)F 62a_100000693133_100000700302 [0,1,0,0,0,1|2,0,0]=4 3769 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)F 62a_100000700302_100000693133 [0,1,0,0,0,1|2,0,0]=4 3770 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)N 62a_100000690935_100000700302 [0,1,0,0,0,1|2,0,0]=4 3771 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)N 62a_100000700302_100000690935 [0,1,0,0,0,1|2,0,0]=4 3772 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)O 62a_100000700302_100009820682 [0,1,0,0,0,1|2,0,0]=4 3773 B17R2.38423 Cn1ccnc1CSc2c(cccc2F)O 62a_100009820682_100000700302 [0,1,0,0,0,1|2,0,0]=4 3774 B17R2.38423 Cn1ccnc1CSc2c(cccc2O)N 62a_100000700302_100012183704 [0,1,0,0,0,1|2,0,0]=4 3775 B17R2.38423 Cn1ccnc1CSc2c(cccc2O)N 62a_100012183704_100000700302 [0,1,0,0,0,1|2,0,0]=4 3776 B17R2.38423 Cn1ccnc1CSc2c(cccc2O)O 62a_100000700302_100010205330 [0,1,0,0,0,1|2,0,0]=4 3777 B17R2.38423 Cn1ccnc1SCc2c(cccc2Br)Cl 62a_100000707724_100010138402 [0,1,0,0,0,1|2,0,0]=4 3778 B17R2.38423 Cn1ccnc1SCc2c(cccc2Br)Cl 62a_100010138402_100000707724 [0,1,0,0,0,1|2,0,0]=4 3779 B17R2.38423 Cn1ccnc1SCc2c(cccc2Br)F 62a_100000707724_100012145669 [0,1,0,0,0,1|2,0,0]=4 3780 B17R2.38423 Cn1ccnc1SCc2c(cccc2Br)F 62a_100012145669_100000707724 [0,1,0,0,0,1|2,0,0]=4 3781 B17R2.38423 Cn1ccnc1SCc2c(cccc2Cl)Cl 62a_100000187851_100000707724 [0,1,0,0,0,1|2,0,0]=4 3782 B17R2.38423 Cn1ccnc1SCc2c(cccc2Cl)Cl 62a_100000707724_100000187851 [0,1,0,0,0,1|2,0,0]=4 3783 B17R2.38423 Cn1ccnc1SCc2c(cccc2Cl)F 62a_100000187852_100000707724 [0,1,0,0,0,1|2,0,0]=4 3784 B17R2.38423 Cn1ccnc1SCc2c(cccc2Cl)F 62a_100000707724_100000187852 [0,1,0,0,0,1|2,0,0]=4 3785 B17R2.38423 Cn1ccnc1SCc2c(cccc2F)F 62a_100000707724_100000698325 [0,1,0,0,0,1|2,0,0]=4 3786 B17R2.38423 Cn1ccnc1SCc2c(cccc2F)F 62a_100000709179_100000707724 [0,1,0,0,0,1|2,0,0]=4 3787 B17R2.38423 Cn1ccnc1SCc2c(cccc2I)Br 62a_100000707724_100010146611 [0,1,0,0,0,1|2,0,0]=4 3788 B17R2.38423 Cn1ccnc1SCc2c(cccc2I)Br 62a_100010146611_100000707724 [0,1,0,0,0,1|2,0,0]=4 3789 B17R2.38423 Cn1ccnc1SCc2c(cccc2I)F 62a_100000707724_100010149602 [0,1,0,0,0,1|2,0,0]=4 3790 B17R2.38423 Cn1ccnc1SCc2c(cccc2I)F 62a_100010149602_100000707724 [0,1,0,0,0,1|2,0,0]=4 3791 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2Cl)Cl 269982a_100000691019_100016991755 [0,1,0,0,0,1|2,0,0]=4 3792 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2Cl)Cl 34a_100000691019_100016991755 [0,1,0,0,0,1|2,0,0]=4 3793 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2F)F 2230a_100000743377_100016991755 [0,1,0,0,0,1|2,0,0]=4 3794 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2F)F 269982a_100000743377_100016991755 [0,1,0,0,0,1|2,0,0]=4 3795 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2F)F 34a_100000743377_100016991755 [0,1,0,0,0,1|2,0,0]=4 3796 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2F)F 38a_100000743377_100016991755 [0,1,0,0,0,1|2,0,0]=4 3797 B17R2.41886 Cc1cccc(c1C(=O)Cc2c[nH]cn2)C 1458a_100000758298_100000707719 [0,1,0,0,0,1|2,0,0]=4 3798 B17R2.41886 Cc1cccc(c1C(=O)Cc2ccn[nH]2)C 1458a_100000758298_100000728653 [0,1,0,0,0,1|2,0,0]=4 3799 B17R2.41886 Cc1cccc(c1C(=O)Cc2ccon2)C 1458a_100000758298_100000234950 [0,1,0,0,0,1|2,0,0]=4 3800 B17R2.41886 Cc1cccc(c1C(=O)Cc2cscn2)C 1458a_100000758298_100000205941 [0,1,0,0,0,1|2,0,0]=4 3801 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)Br 1458a_100000701904_103436540062 [0,1,0,0,0,1|2,0,0]=4 3802 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)C 1458a_100000758298_103436540062 [0,1,0,0,0,1|1,0,0]=3 3803 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)Cl 1458a_100000692601_103436540062 [0,1,0,0,0,1|2,0,0]=4 3804 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)F 1458a_100000762013_103436540062 [0,1,0,0,0,1|2,0,0]=4 3805 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)I 1458a_100000688020_103436540062 [0,1,0,0,0,1|2,0,0]=4 3806 B17R2.41886 Cc1cccc(c1C(=O)Cc2ncco2)O 1458a_100011934116_103436540062 [0,1,0,0,0,1|2,0,0]=4 3807 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)Br 1458a_100000701904_100015184050 [0,1,0,0,0,1|2,0,0]=4 3808 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)C 1458a_100000758298_100015184050 [0,1,0,0,0,1|1,0,0]=3 3809 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)Cl 1458a_100000692601_100015184050 [0,1,0,0,0,1|2,0,0]=4 3810 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)F 1458a_100000762013_100015184050 [0,1,0,0,0,1|2,0,0]=4 3811 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)I 1458a_100000688020_100015184050 [0,1,0,0,0,1|2,0,0]=4 3812 B17R2.41886 Cc1cccc(c1C(=O)Cc2nccs2)O 1458a_100011934116_100015184050 [0,1,0,0,0,1|2,0,0]=4 3813 B17R2.41886 Cc1cccc(c1C(=O)Cc2nnn[nH]2)C 1458a_100000758298_100000765167 [0,1,0,0,0,1|2,0,0]=4 3814 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 269982a_100011645471_100000737910 [0,1,0,0,0,1|0,0,2]=4 3815 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 34a_100011645471_100000737910 [0,1,0,0,0,1|0,0,2]=4 3816 B17R2.41886 Cc1cccc(c1N(C)Cc2c[nH]cn2)C 2230a_100011645471_100000707719 [0,1,0,0,0,1|2,0,0]=4 3817 B17R2.41886 Cc1cccc(c1N(C)Cc2c[nH]cn2)C 269982a_100011645471_100000707719 [0,1,0,0,0,1|2,0,0]=4 3818 B17R2.41886 Cc1cccc(c1N(C)Cc2c[nH]cn2)C 34a_100011645471_100000707719 [0,1,0,0,0,1|2,0,0]=4 3819 B17R2.41886 Cc1cccc(c1N(C)Cc2ccn[nH]2)C 2230a_100011645471_100000728653 [0,1,0,0,0,1|2,0,0]=4 3820 B17R2.41886 Cc1cccc(c1N(C)Cc2ccn[nH]2)C 269982a_100011645471_100000728653 [0,1,0,0,0,1|2,0,0]=4 3821 B17R2.41886 Cc1cccc(c1N(C)Cc2ccn[nH]2)C 34a_100011645471_100000728653 [0,1,0,0,0,1|2,0,0]=4 3822 B17R2.41886 Cc1cccc(c1N(C)Cc2ccon2)C 2230a_100011645471_100000234950 [0,1,0,0,0,1|2,0,0]=4 3823 B17R2.41886 Cc1cccc(c1N(C)Cc2ccon2)C 269982a_100011645471_100000234950 [0,1,0,0,0,1|2,0,0]=4 3824 B17R2.41886 Cc1cccc(c1N(C)Cc2ccon2)C 34a_100011645471_100000234950 [0,1,0,0,0,1|2,0,0]=4 3825 B17R2.41886 Cc1cccc(c1N(C)Cc2cscn2)C 2230a_100011645471_100000205941 [0,1,0,0,0,1|2,0,0]=4 3826 B17R2.41886 Cc1cccc(c1N(C)Cc2cscn2)C 269982a_100011645471_100000205941 [0,1,0,0,0,1|2,0,0]=4 3827 B17R2.41886 Cc1cccc(c1N(C)Cc2cscn2)C 34a_100011645471_100000205941 [0,1,0,0,0,1|2,0,0]=4 3828 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 2230a_100011645471_100016991755 [0,1,0,0,0,1|0,0,0]=2 3829 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 269982a_100011645471_100016991755 [0,1,0,0,0,1|0,0,0]=2 3830 B17R2.41886 Cc1cccc(c1N(C)Cc2ncc[nH]2)C 34a_100011645471_100016991755 [0,1,0,0,0,1|0,0,0]=2 3831 B17R2.41886 Cc1cccc(c1N(C)Cc2ncco2)C 2230a_100011645471_103436540062 [0,1,0,0,0,1|1,0,0]=3 3832 B17R2.41886 Cc1cccc(c1N(C)Cc2ncco2)C 269982a_100011645471_103436540062 [0,1,0,0,0,1|1,0,0]=3 3833 B17R2.41886 Cc1cccc(c1N(C)Cc2ncco2)C 34a_100011645471_103436540062 [0,1,0,0,0,1|1,0,0]=3 3834 B17R2.41886 Cc1cccc(c1N(C)Cc2nccs2)C 2230a_100011645471_100015184050 [0,1,0,0,0,1|1,0,0]=3 3835 B17R2.41886 Cc1cccc(c1N(C)Cc2nccs2)C 269982a_100011645471_100015184050 [0,1,0,0,0,1|1,0,0]=3 3836 B17R2.41886 Cc1cccc(c1N(C)Cc2nccs2)C 34a_100011645471_100015184050 [0,1,0,0,0,1|1,0,0]=3 3837 B17R2.41886 Cc1cccc(c1N(C)Cc2ncon2)C 269982a_100011645471_100000233494 [0,1,0,0,0,1|1,0,1]=4 3838 B17R2.41886 Cc1cccc(c1N(C)Cc2ncon2)C 34a_100011645471_100000233494 [0,1,0,0,0,1|1,0,1]=4 3839 B17R2.41886 Cc1cccc(c1N(C)Cc2nnn[nH]2)C 269982a_100011645471_100000765167 [0,1,0,0,0,1|2,0,0]=4 3840 B17R2.41886 Cc1cccc(c1N(C)Cc2nnn[nH]2)C 34a_100011645471_100000765167 [0,1,0,0,0,1|2,0,0]=4 3841 B17R2.41886 Cc1cccc(c1[C@H](C)Nc2ncns2)C 27a_100016987977_100000693119 [0,1,0,0,0,1|2,0,0]=4 3842 B17R2.41886 Cc1cccc(c1[C@H](C)Nc2nncs2)C 27a_100016987977_100000739804 [0,1,0,0,0,1|2,0,0]=4 3843 B17R2.41886 Cc1ccnc(c1N(C)Cc2ncc[nH]2)F 27a_100015184136_100009818256 [0,1,0,0,0,1|2,0,0]=4 3844 B17R2.41886 Cc1ncnc(c1N(C)Cc2ncc[nH]2)C 27a_100015184136_100009820708 [0,1,0,0,0,1|2,0,0]=4 3845 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [0,1,0,0,0,1|0,0,2]=4 3846 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [0,1,0,0,0,1|0,0,2]=4 3847 B17R2.71328 CCc1cccc(c1NCc2c[nH]cn2)C 2230a_100000210048_100000707719 [0,1,0,0,0,1|2,0,0]=4 3848 B17R2.71328 CCc1cccc(c1NCc2c[nH]cn2)C 34a_100000210048_100000707719 [0,1,0,0,0,1|2,0,0]=4 3849 B17R2.71328 CCc1cccc(c1NCc2cc[nH]n2)C 207a_100000210048_100000738523 [0,1,0,0,0,1|2,0,0]=4 3850 B17R2.71328 CCc1cccc(c1NCc2ccco2)C 207a_100000210048_100000186105 [0,1,0,0,0,1|2,0,0]=4 3851 B17R2.71328 CCc1cccc(c1NCc2ccco2)C 270302a_100000210048_100000186105 [0,1,0,0,0,1|2,0,0]=4 3852 B17R2.71328 CCc1cccc(c1NCc2cccs2)C 207a_100000210048_100000209959 [0,1,0,0,0,1|2,0,0]=4 3853 B17R2.71328 CCc1cccc(c1NCc2cccs2)C 270302a_100000210048_100000209959 [0,1,0,0,0,1|2,0,0]=4 3854 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 2230a_100000210048_100000728653 [0,1,0,0,0,1|2,0,0]=4 3855 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 34a_100000210048_100000728653 [0,1,0,0,0,1|2,0,0]=4 3856 B17R2.71328 CCc1cccc(c1NCc2ccn[nH]2)C 7a_100000210048_100000728653 [0,1,0,0,0,1|2,0,0]=4 3857 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 2230a_100000210048_100000234950 [0,1,0,0,0,1|2,0,0]=4 3858 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 34a_100000210048_100000234950 [0,1,0,0,0,1|2,0,0]=4 3859 B17R2.71328 CCc1cccc(c1NCc2ccon2)C 7a_100000210048_100000234950 [0,1,0,0,0,1|2,0,0]=4 3860 B17R2.71328 CCc1cccc(c1NCc2cnc[nH]2)C 207a_100000210048_100000742939 [0,1,0,0,0,1|2,0,0]=4 3861 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 207a_100000210048_100000743575 [0,1,0,0,0,1|2,0,0]=4 3862 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 2230a_100000210048_100000205941 [0,1,0,0,0,1|2,0,0]=4 3863 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 270302a_100000210048_100000743575 [0,1,0,0,0,1|2,0,0]=4 3864 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 34a_100000210048_100000205941 [0,1,0,0,0,1|2,0,0]=4 3865 B17R2.71328 CCc1cccc(c1NCc2cscn2)C 7a_100000210048_100000205941 [0,1,0,0,0,1|2,0,0]=4 3866 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 207a_100000210048_100000743867 [0,1,0,0,0,1|0,0,0]=2 3867 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 2230a_100000210048_100016991755 [0,1,0,0,0,1|0,0,0]=2 3868 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 34a_100000210048_100016991755 [0,1,0,0,0,1|0,0,0]=2 3869 B17R2.71328 CCc1cccc(c1NCc2ncc[nH]2)C 7a_100000210048_100000753453 [0,1,0,0,0,1|0,0,0]=2 3870 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 2230a_100000210048_103436540062 [0,1,0,0,0,1|1,0,0]=3 3871 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 34a_100000210048_103436540062 [0,1,0,0,0,1|1,0,0]=3 3872 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 7a_100000210048_103436540062 [0,1,0,0,0,1|1,0,0]=3 3873 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 207a_100000210048_100000750902 [0,1,0,0,0,1|1,0,0]=3 3874 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 2230a_100000210048_100015184050 [0,1,0,0,0,1|1,0,0]=3 3875 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 270302a_100000210048_100000750902 [0,1,0,0,0,1|1,0,0]=3 3876 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 34a_100000210048_100015184050 [0,1,0,0,0,1|1,0,0]=3 3877 B17R2.71328 CCc1cccc(c1NCc2nccs2)C 7a_100000210048_100015184050 [0,1,0,0,0,1|1,0,0]=3 3878 B17R2.71328 CCc1cccc(c1NCc2ncon2)C 34a_100000210048_100000233494 [0,1,0,0,0,1|1,0,1]=4 3879 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 34a_100000210048_100000765167 [0,1,0,0,0,1|2,0,0]=4 3880 B17R2.71328 CCc1cccc(c1NCc2nnn[nH]2)C 7a_100000210048_100000765167 [0,1,0,0,0,1|2,0,0]=4 3881 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [0,1,0,0,0,1|0,0,2]=4 3882 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [0,1,0,0,0,1|0,0,2]=4 3883 B17R2.71328 CCc1cccc(c1OCc2c[nH]cn2)C 34a_100000034007_100000707719 [0,1,0,0,0,1|2,0,0]=4 3884 B17R2.71328 CCc1cccc(c1OCc2ccn[nH]2)C 34a_100000034007_100000728653 [0,1,0,0,0,1|2,0,0]=4 3885 B17R2.71328 CCc1cccc(c1OCc2ccn[nH]2)C 7a_100000034007_100000728653 [0,1,0,0,0,1|2,0,0]=4 3886 B17R2.71328 CCc1cccc(c1OCc2ccon2)C 34a_100000034007_100000234950 [0,1,0,0,0,1|2,0,0]=4 3887 B17R2.71328 CCc1cccc(c1OCc2ccon2)C 7a_100000034007_100000234950 [0,1,0,0,0,1|2,0,0]=4 3888 B17R2.71328 CCc1cccc(c1OCc2cscn2)C 34a_100000034007_100000205941 [0,1,0,0,0,1|2,0,0]=4 3889 B17R2.71328 CCc1cccc(c1OCc2cscn2)C 7a_100000034007_100000205941 [0,1,0,0,0,1|2,0,0]=4 3890 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 34a_200010001580_100016991755 [0,1,0,0,0,1|1,0,0]=3 3891 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br 7a_200010001580_100000753453 [0,1,0,0,0,1|1,0,0]=3 3892 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 34a_100000034007_100016991755 [0,1,0,0,0,1|0,0,0]=2 3893 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C 7a_100000034007_100000753453 [0,1,0,0,0,1|0,0,0]=2 3894 B17R2.71328 CCc1cccc(c1OCc2ncco2)Br 34a_200010001580_103436540062 [0,1,0,0,0,1|2,0,0]=4 3895 B17R2.71328 CCc1cccc(c1OCc2ncco2)Br 7a_200010001580_103436540062 [0,1,0,0,0,1|2,0,0]=4 3896 B17R2.71328 CCc1cccc(c1OCc2ncco2)C 34a_100000034007_103436540062 [0,1,0,0,0,1|1,0,0]=3 3897 B17R2.71328 CCc1cccc(c1OCc2ncco2)C 7a_100000034007_103436540062 [0,1,0,0,0,1|1,0,0]=3 3898 B17R2.71328 CCc1cccc(c1OCc2nccs2)Br 34a_200010001580_100015184050 [0,1,0,0,0,1|2,0,0]=4 3899 B17R2.71328 CCc1cccc(c1OCc2nccs2)Br 7a_200010001580_100015184050 [0,1,0,0,0,1|2,0,0]=4 3900 B17R2.71328 CCc1cccc(c1OCc2nccs2)C 34a_100000034007_100015184050 [0,1,0,0,0,1|1,0,0]=3 3901 B17R2.71328 CCc1cccc(c1OCc2nccs2)C 7a_100000034007_100015184050 [0,1,0,0,0,1|1,0,0]=3 3902 B17R2.71328 CCc1cccc(c1OCc2ncon2)C 34a_100000034007_100000233494 [0,1,0,0,0,1|1,0,1]=4 3903 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 34a_100000034007_100000765167 [0,1,0,0,0,1|2,0,0]=4 3904 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 7a_100000034007_100000765167 [0,1,0,0,0,1|2,0,0]=4 3905 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000036235_100000737910 [0,1,0,0,0,1|0,0,2]=4 3906 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000036235 [0,1,0,0,0,1|0,0,2]=4 3907 B17R2.71328 CCc1cccc(c1SCc2c[nH]cn2)C 62a_100000036235_100000707719 [0,1,0,0,0,1|2,0,0]=4 3908 B17R2.71328 CCc1cccc(c1SCc2c[nH]cn2)C 62a_100000707719_100000036235 [0,1,0,0,0,1|2,0,0]=4 3909 B17R2.71328 CCc1cccc(c1SCc2ccn[nH]2)C 62a_100000036235_100000728653 [0,1,0,0,0,1|2,0,0]=4 3910 B17R2.71328 CCc1cccc(c1SCc2ccn[nH]2)C 62a_100000728653_100000036235 [0,1,0,0,0,1|2,0,0]=4 3911 B17R2.71328 CCc1cccc(c1SCc2ccon2)C 62a_100000036235_100000234950 [0,1,0,0,0,1|2,0,0]=4 3912 B17R2.71328 CCc1cccc(c1SCc2ccon2)C 62a_100000234950_100000036235 [0,1,0,0,0,1|2,0,0]=4 3913 B17R2.71328 CCc1cccc(c1SCc2cscn2)C 62a_100000036235_100000205941 [0,1,0,0,0,1|2,0,0]=4 3914 B17R2.71328 CCc1cccc(c1SCc2cscn2)C 62a_100000205941_100000036235 [0,1,0,0,0,1|2,0,0]=4 3915 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100000036235_100016991755 [0,1,0,0,0,1|0,0,0]=2 3916 B17R2.71328 CCc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100000036235 [0,1,0,0,0,1|0,0,0]=2 3917 B17R2.71328 CCc1cccc(c1SCc2ncco2)C 62a_100000036235_103436540062 [0,1,0,0,0,1|1,0,0]=3 3918 B17R2.71328 CCc1cccc(c1SCc2ncco2)C 62a_103436540062_100000036235 [0,1,0,0,0,1|1,0,0]=3 3919 B17R2.71328 CCc1cccc(c1SCc2nccs2)C 62a_100000036235_100015184050 [0,1,0,0,0,1|1,0,0]=3 3920 B17R2.71328 CCc1cccc(c1SCc2nccs2)C 62a_100015184050_100000036235 [0,1,0,0,0,1|1,0,0]=3 3921 B17R2.71328 CCc1cccc(c1SCc2ncon2)C 62a_100000036235_100000233494 [0,1,0,0,0,1|1,0,1]=4 3922 B17R2.71328 CCc1cccc(c1SCc2ncon2)C 62a_100000233494_100000036235 [0,1,0,0,0,1|1,0,1]=4 3923 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000036235_100000765167 [0,1,0,0,0,1|2,0,0]=4 3924 B17R2.71328 CCc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100000036235 [0,1,0,0,0,1|2,0,0]=4 3925 B17R2.71328 CCc1occc(=O)c1OCc2ncc[nH]2 34a_100000033269_100016991755 [0,1,0,0,0,1|2,0,0]=4 3926 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)Cl 62a_100012349678_100025796157 [0,1,0,0,0,1|1,0,0]=3 3927 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100012349678 [0,1,0,0,0,1|1,0,0]=3 3928 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)F 62a_100011216731_100025796157 [0,1,0,0,0,1|1,0,0]=3 3929 B17R2.71328 COc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100011216731 [0,1,0,0,0,1|1,0,0]=3 3930 B17R2.71328 COc1cccc(c1CSc2ncco2)Cl 62a_100011787736_100012349678 [0,1,0,0,0,1|2,0,0]=4 3931 B17R2.71328 COc1cccc(c1CSc2ncco2)Cl 62a_100012349678_100011787736 [0,1,0,0,0,1|2,0,0]=4 3932 B17R2.71328 COc1cccc(c1CSc2ncco2)F 62a_100011216731_100011787736 [0,1,0,0,0,1|2,0,0]=4 3933 B17R2.71328 COc1cccc(c1CSc2ncco2)F 62a_100011787736_100011216731 [0,1,0,0,0,1|2,0,0]=4 3934 B17R2.71328 COc1cccc(c1CSc2nccs2)Cl 62a_100000211983_100012349678 [0,1,0,0,0,1|2,0,0]=4 3935 B17R2.71328 COc1cccc(c1CSc2nccs2)Cl 62a_100012349678_100000211983 [0,1,0,0,0,1|2,0,0]=4 3936 B17R2.71328 COc1cccc(c1CSc2nccs2)F 62a_100000211983_100011216731 [0,1,0,0,0,1|2,0,0]=4 3937 B17R2.71328 COc1cccc(c1CSc2nccs2)F 62a_100011216731_100000211983 [0,1,0,0,0,1|2,0,0]=4 3938 B17R2.71328 COc1cccc(c1NCC2=NCCN2)C 34a_100000758225_100000737910 [0,1,0,0,0,1|0,0,2]=4 3939 B17R2.71328 COc1cccc(c1NCc2c[nH]cn2)C 2230a_100000758225_100000707719 [0,1,0,0,0,1|2,0,0]=4 3940 B17R2.71328 COc1cccc(c1NCc2c[nH]cn2)C 34a_100000758225_100000707719 [0,1,0,0,0,1|2,0,0]=4 3941 B17R2.71328 COc1cccc(c1NCc2cc[nH]n2)C 207a_100000758225_100000738523 [0,1,0,0,0,1|2,0,0]=4 3942 B17R2.71328 COc1cccc(c1NCc2ccco2)C 207a_100000758225_100000186105 [0,1,0,0,0,1|2,0,0]=4 3943 B17R2.71328 COc1cccc(c1NCc2ccco2)C 270302a_100000758225_100000186105 [0,1,0,0,0,1|2,0,0]=4 3944 B17R2.71328 COc1cccc(c1NCc2cccs2)C 207a_100000758225_100000209959 [0,1,0,0,0,1|2,0,0]=4 3945 B17R2.71328 COc1cccc(c1NCc2cccs2)C 270302a_100000758225_100000209959 [0,1,0,0,0,1|2,0,0]=4 3946 B17R2.71328 COc1cccc(c1NCc2ccn[nH]2)C 2230a_100000758225_100000728653 [0,1,0,0,0,1|2,0,0]=4 3947 B17R2.71328 COc1cccc(c1NCc2ccn[nH]2)C 34a_100000758225_100000728653 [0,1,0,0,0,1|2,0,0]=4 3948 B17R2.71328 COc1cccc(c1NCc2ccon2)C 2230a_100000758225_100000234950 [0,1,0,0,0,1|2,0,0]=4 3949 B17R2.71328 COc1cccc(c1NCc2ccon2)C 34a_100000758225_100000234950 [0,1,0,0,0,1|2,0,0]=4 3950 B17R2.71328 COc1cccc(c1NCc2cnc[nH]2)C 207a_100000758225_100000742939 [0,1,0,0,0,1|2,0,0]=4 3951 B17R2.71328 COc1cccc(c1NCc2cscn2)C 207a_100000758225_100000743575 [0,1,0,0,0,1|2,0,0]=4 3952 B17R2.71328 COc1cccc(c1NCc2cscn2)C 2230a_100000758225_100000205941 [0,1,0,0,0,1|2,0,0]=4 3953 B17R2.71328 COc1cccc(c1NCc2cscn2)C 270302a_100000758225_100000743575 [0,1,0,0,0,1|2,0,0]=4 3954 B17R2.71328 COc1cccc(c1NCc2cscn2)C 34a_100000758225_100000205941 [0,1,0,0,0,1|2,0,0]=4 3955 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Br 34a_100000708083_100016991755 [0,1,0,0,0,1|1,0,0]=3 3956 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 207a_100000758225_100000743867 [0,1,0,0,0,1|0,0,0]=2 3957 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 2230a_100000758225_100016991755 [0,1,0,0,0,1|0,0,0]=2 3958 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 34a_100000758225_100016991755 [0,1,0,0,0,1|0,0,0]=2 3959 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Cl 207a_100011309317_100000743867 [0,1,0,0,0,1|1,0,0]=3 3960 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)Cl 34a_100011309317_100016991755 [0,1,0,0,0,1|1,0,0]=3 3961 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)F 207a_100000686744_100000743867 [0,1,0,0,0,1|1,0,0]=3 3962 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)F 34a_100000686744_100016991755 [0,1,0,0,0,1|1,0,0]=3 3963 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)O 34a_100012022766_100016991755 [0,1,0,0,0,1|1,0,0]=3 3964 B17R2.71328 COc1cccc(c1NCc2ncco2)Br 34a_100000708083_103436540062 [0,1,0,0,0,1|2,0,0]=4 3965 B17R2.71328 COc1cccc(c1NCc2ncco2)C 2230a_100000758225_103436540062 [0,1,0,0,0,1|1,0,0]=3 3966 B17R2.71328 COc1cccc(c1NCc2ncco2)C 34a_100000758225_103436540062 [0,1,0,0,0,1|1,0,0]=3 3967 B17R2.71328 COc1cccc(c1NCc2ncco2)Cl 34a_100011309317_103436540062 [0,1,0,0,0,1|2,0,0]=4 3968 B17R2.71328 COc1cccc(c1NCc2ncco2)F 34a_100000686744_103436540062 [0,1,0,0,0,1|2,0,0]=4 3969 B17R2.71328 COc1cccc(c1NCc2ncco2)O 34a_100012022766_103436540062 [0,1,0,0,0,1|2,0,0]=4 3970 B17R2.71328 COc1cccc(c1NCc2nccs2)Br 34a_100000708083_100015184050 [0,1,0,0,0,1|2,0,0]=4 3971 B17R2.71328 COc1cccc(c1NCc2nccs2)C 207a_100000758225_100000750902 [0,1,0,0,0,1|1,0,0]=3 3972 B17R2.71328 COc1cccc(c1NCc2nccs2)C 2230a_100000758225_100015184050 [0,1,0,0,0,1|1,0,0]=3 3973 B17R2.71328 COc1cccc(c1NCc2nccs2)C 270302a_100000758225_100000750902 [0,1,0,0,0,1|1,0,0]=3 3974 B17R2.71328 COc1cccc(c1NCc2nccs2)C 34a_100000758225_100015184050 [0,1,0,0,0,1|1,0,0]=3 3975 B17R2.71328 COc1cccc(c1NCc2nccs2)Cl 207a_100011309317_100000750902 [0,1,0,0,0,1|2,0,0]=4 3976 B17R2.71328 COc1cccc(c1NCc2nccs2)Cl 34a_100011309317_100015184050 [0,1,0,0,0,1|2,0,0]=4 3977 B17R2.71328 COc1cccc(c1NCc2nccs2)F 207a_100000686744_100000750902 [0,1,0,0,0,1|2,0,0]=4 3978 B17R2.71328 COc1cccc(c1NCc2nccs2)F 270302a_100000686744_100000750902 [0,1,0,0,0,1|2,0,0]=4 3979 B17R2.71328 COc1cccc(c1NCc2nccs2)F 34a_100000686744_100015184050 [0,1,0,0,0,1|2,0,0]=4 3980 B17R2.71328 COc1cccc(c1NCc2nccs2)O 34a_100012022766_100015184050 [0,1,0,0,0,1|2,0,0]=4 3981 B17R2.71328 COc1cccc(c1NCc2ncon2)C 34a_100000758225_100000233494 [0,1,0,0,0,1|1,0,1]=4 3982 B17R2.71328 COc1cccc(c1NCc2nnn[nH]2)C 34a_100000758225_100000765167 [0,1,0,0,0,1|2,0,0]=4 3983 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 34a_100011219253_100000737910 [0,1,0,0,0,1|0,0,2]=4 3984 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 7a_100011219253_100000737910 [0,1,0,0,0,1|0,0,2]=4 3985 B17R2.71328 COc1cccc(c1OCc2c[nH]cn2)C 34a_100011219253_100000707719 [0,1,0,0,0,1|2,0,0]=4 3986 B17R2.71328 COc1cccc(c1OCc2ccn[nH]2)C 34a_100011219253_100000728653 [0,1,0,0,0,1|2,0,0]=4 3987 B17R2.71328 COc1cccc(c1OCc2ccn[nH]2)C 7a_100011219253_100000728653 [0,1,0,0,0,1|2,0,0]=4 3988 B17R2.71328 COc1cccc(c1OCc2ccon2)C 34a_100011219253_100000234950 [0,1,0,0,0,1|2,0,0]=4 3989 B17R2.71328 COc1cccc(c1OCc2ccon2)C 7a_100011219253_100000234950 [0,1,0,0,0,1|2,0,0]=4 3990 B17R2.71328 COc1cccc(c1OCc2cscn2)C 34a_100011219253_100000205941 [0,1,0,0,0,1|2,0,0]=4 3991 B17R2.71328 COc1cccc(c1OCc2cscn2)C 7a_100011219253_100000205941 [0,1,0,0,0,1|2,0,0]=4 3992 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Br 34a_100000686866_100016991755 [0,1,0,0,0,1|1,0,0]=3 3993 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 34a_100011219253_100016991755 [0,1,0,0,0,1|0,0,0]=2 3994 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)C 7a_100011219253_100000753453 [0,1,0,0,0,1|0,0,0]=2 3995 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Cl 34a_100009851661_100016991755 [0,1,0,0,0,1|1,0,0]=3 3996 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)Cl 7a_100009851661_100000753453 [0,1,0,0,0,1|1,0,0]=3 3997 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)F 34a_100000036725_100016991755 [0,1,0,0,0,1|1,0,0]=3 3998 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)F 7a_100000036725_100000753453 [0,1,0,0,0,1|1,0,0]=3 3999 B17R2.71328 COc1cccc(c1OCc2ncc[nH]2)N 34a_100000123586_100016991755 [0,1,0,0,0,1|1,0,0]=3 4000 B17R2.71328 COc1cccc(c1OCc2ncco2)Br 34a_100000686866_103436540062 [0,1,0,0,0,1|2,0,0]=4 4001 B17R2.71328 COc1cccc(c1OCc2ncco2)C 34a_100011219253_103436540062 [0,1,0,0,0,1|1,0,0]=3 4002 B17R2.71328 COc1cccc(c1OCc2ncco2)C 7a_100011219253_103436540062 [0,1,0,0,0,1|1,0,0]=3 4003 B17R2.71328 COc1cccc(c1OCc2ncco2)Cl 34a_100009851661_103436540062 [0,1,0,0,0,1|2,0,0]=4 4004 B17R2.71328 COc1cccc(c1OCc2ncco2)Cl 7a_100009851661_103436540062 [0,1,0,0,0,1|2,0,0]=4 4005 B17R2.71328 COc1cccc(c1OCc2ncco2)F 34a_100000036725_103436540062 [0,1,0,0,0,1|2,0,0]=4 4006 B17R2.71328 COc1cccc(c1OCc2ncco2)F 7a_100000036725_103436540062 [0,1,0,0,0,1|2,0,0]=4 4007 B17R2.71328 COc1cccc(c1OCc2ncco2)N 34a_100000123586_103436540062 [0,1,0,0,0,1|2,0,0]=4 4008 B17R2.71328 COc1cccc(c1OCc2nccs2)Br 34a_100000686866_100015184050 [0,1,0,0,0,1|2,0,0]=4 4009 B17R2.71328 COc1cccc(c1OCc2nccs2)C 34a_100011219253_100015184050 [0,1,0,0,0,1|1,0,0]=3 4010 B17R2.71328 COc1cccc(c1OCc2nccs2)C 7a_100011219253_100015184050 [0,1,0,0,0,1|1,0,0]=3 4011 B17R2.71328 COc1cccc(c1OCc2nccs2)Cl 34a_100009851661_100015184050 [0,1,0,0,0,1|2,0,0]=4 4012 B17R2.71328 COc1cccc(c1OCc2nccs2)Cl 7a_100009851661_100015184050 [0,1,0,0,0,1|2,0,0]=4 4013 B17R2.71328 COc1cccc(c1OCc2nccs2)F 34a_100000036725_100015184050 [0,1,0,0,0,1|2,0,0]=4 4014 B17R2.71328 COc1cccc(c1OCc2nccs2)F 7a_100000036725_100015184050 [0,1,0,0,0,1|2,0,0]=4 4015 B17R2.71328 COc1cccc(c1OCc2nccs2)N 34a_100000123586_100015184050 [0,1,0,0,0,1|2,0,0]=4 4016 B17R2.71328 COc1cccc(c1OCc2ncon2)C 34a_100011219253_100000233494 [0,1,0,0,0,1|1,0,1]=4 4017 B17R2.71328 COc1cccc(c1OCc2nnn[nH]2)C 34a_100011219253_100000765167 [0,1,0,0,0,1|2,0,0]=4 4018 B17R2.71328 COc1cccc(c1OCc2nnn[nH]2)C 7a_100011219253_100000765167 [0,1,0,0,0,1|2,0,0]=4 4019 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100010191535 [0,1,0,0,0,1|0,0,2]=4 4020 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100010191535_100000737910 [0,1,0,0,0,1|0,0,2]=4 4021 B17R2.71328 COc1cccc(c1SCc2c[nH]cn2)C 62a_100000707719_100010191535 [0,1,0,0,0,1|2,0,0]=4 4022 B17R2.71328 COc1cccc(c1SCc2c[nH]cn2)C 62a_100010191535_100000707719 [0,1,0,0,0,1|2,0,0]=4 4023 B17R2.71328 COc1cccc(c1SCc2ccn[nH]2)C 62a_100000728653_100010191535 [0,1,0,0,0,1|2,0,0]=4 4024 B17R2.71328 COc1cccc(c1SCc2ccn[nH]2)C 62a_100010191535_100000728653 [0,1,0,0,0,1|2,0,0]=4 4025 B17R2.71328 COc1cccc(c1SCc2ccon2)C 62a_100000234950_100010191535 [0,1,0,0,0,1|2,0,0]=4 4026 B17R2.71328 COc1cccc(c1SCc2ccon2)C 62a_100010191535_100000234950 [0,1,0,0,0,1|2,0,0]=4 4027 B17R2.71328 COc1cccc(c1SCc2cscn2)C 62a_100000205941_100010191535 [0,1,0,0,0,1|2,0,0]=4 4028 B17R2.71328 COc1cccc(c1SCc2cscn2)C 62a_100010191535_100000205941 [0,1,0,0,0,1|2,0,0]=4 4029 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)Br 62a_100010131421_100016991755 [0,1,0,0,0,1|1,0,0]=3 4030 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010131421 [0,1,0,0,0,1|1,0,0]=3 4031 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100010191535_100016991755 [0,1,0,0,0,1|0,0,0]=2 4032 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)C 62a_100016991755_100010191535 [0,1,0,0,0,1|0,0,0]=2 4033 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)F 62a_100000703912_100016991755 [0,1,0,0,0,1|1,0,0]=3 4034 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100000703912 [0,1,0,0,0,1|1,0,0]=3 4035 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)N 62a_100000703447_100016991755 [0,1,0,0,0,1|1,0,0]=3 4036 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)N 62a_100016991755_100000703447 [0,1,0,0,0,1|1,0,0]=3 4037 B17R2.71328 COc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100010202623 [0,1,0,0,0,1|1,0,0]=3 4038 B17R2.71328 COc1cccc(c1SCc2ncco2)Br 62a_100010131421_103436540062 [0,1,0,0,0,1|2,0,0]=4 4039 B17R2.71328 COc1cccc(c1SCc2ncco2)Br 62a_103436540062_100010131421 [0,1,0,0,0,1|2,0,0]=4 4040 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_100010191535_103436540062 [0,1,0,0,0,1|1,0,0]=3 4041 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_103436540062_100010191535 [0,1,0,0,0,1|1,0,0]=3 4042 B17R2.71328 COc1cccc(c1SCc2ncco2)F 62a_100000703912_103436540062 [0,1,0,0,0,1|2,0,0]=4 4043 B17R2.71328 COc1cccc(c1SCc2ncco2)F 62a_103436540062_100000703912 [0,1,0,0,0,1|2,0,0]=4 4044 B17R2.71328 COc1cccc(c1SCc2ncco2)N 62a_100000703447_103436540062 [0,1,0,0,0,1|2,0,0]=4 4045 B17R2.71328 COc1cccc(c1SCc2ncco2)N 62a_103436540062_100000703447 [0,1,0,0,0,1|2,0,0]=4 4046 B17R2.71328 COc1cccc(c1SCc2ncco2)O 62a_103436540062_100010202623 [0,1,0,0,0,1|2,0,0]=4 4047 B17R2.71328 COc1cccc(c1SCc2nccs2)Br 62a_100010131421_100015184050 [0,1,0,0,0,1|2,0,0]=4 4048 B17R2.71328 COc1cccc(c1SCc2nccs2)Br 62a_100015184050_100010131421 [0,1,0,0,0,1|2,0,0]=4 4049 B17R2.71328 COc1cccc(c1SCc2nccs2)C 62a_100010191535_100015184050 [0,1,0,0,0,1|1,0,0]=3 4050 B17R2.71328 COc1cccc(c1SCc2nccs2)C 62a_100015184050_100010191535 [0,1,0,0,0,1|1,0,0]=3 4051 B17R2.71328 COc1cccc(c1SCc2nccs2)F 62a_100000703912_100015184050 [0,1,0,0,0,1|2,0,0]=4 4052 B17R2.71328 COc1cccc(c1SCc2nccs2)F 62a_100015184050_100000703912 [0,1,0,0,0,1|2,0,0]=4 4053 B17R2.71328 COc1cccc(c1SCc2nccs2)N 62a_100000703447_100015184050 [0,1,0,0,0,1|2,0,0]=4 4054 B17R2.71328 COc1cccc(c1SCc2nccs2)N 62a_100015184050_100000703447 [0,1,0,0,0,1|2,0,0]=4 4055 B17R2.71328 COc1cccc(c1SCc2nccs2)O 62a_100015184050_100010202623 [0,1,0,0,0,1|2,0,0]=4 4056 B17R2.71328 COc1cccc(c1SCc2ncon2)C 62a_100000233494_100010191535 [0,1,0,0,0,1|1,0,1]=4 4057 B17R2.71328 COc1cccc(c1SCc2ncon2)C 62a_100010191535_100000233494 [0,1,0,0,0,1|1,0,1]=4 4058 B17R2.71328 COc1cccc(c1SCc2nnn[nH]2)C 62a_100000765167_100010191535 [0,1,0,0,0,1|2,0,0]=4 4059 B17R2.71328 COc1cccc(c1SCc2nnn[nH]2)C 62a_100010191535_100000765167 [0,1,0,0,0,1|2,0,0]=4 4060 B17R2.71328 COc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100010154655_100016991755 [0,1,0,0,0,1|2,0,0]=4 4061 B17R2.71328 COc1ccnc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100010154655 [0,1,0,0,0,1|2,0,0]=4 4062 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)C 62a_100012353928_100016991755 [0,1,0,0,0,1|1,0,0]=3 4063 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)C 62a_100016991755_100012353928 [0,1,0,0,0,1|1,0,0]=3 4064 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)N 62a_100010243811_100016991755 [0,1,0,0,0,1|2,0,0]=4 4065 B17R2.71328 COc1nccc(c1SCc2ncc[nH]2)N 62a_100016991755_100010243811 [0,1,0,0,0,1|2,0,0]=4 4066 B17R2.71328 COc1nccc(c1SCc2ncco2)C 62a_100012353928_103436540062 [0,1,0,0,0,1|2,0,0]=4 4067 B17R2.71328 COc1nccc(c1SCc2ncco2)C 62a_103436540062_100012353928 [0,1,0,0,0,1|2,0,0]=4 4068 B17R2.71328 COc1nccc(c1SCc2nccs2)C 62a_100012353928_100015184050 [0,1,0,0,0,1|2,0,0]=4 4069 B17R2.71328 COc1nccc(c1SCc2nccs2)C 62a_100015184050_100012353928 [0,1,0,0,0,1|2,0,0]=4 4070 B17R2.71328 COc1ncnc(c1SCc2ncc[nH]2)C 62a_100010110394_100016991755 [0,1,0,0,0,1|2,0,0]=4 4071 B17R2.71328 COc1ncnc(c1SCc2ncc[nH]2)C 62a_100016991755_100010110394 [0,1,0,0,0,1|2,0,0]=4 4072 B17R2.71328 Cc1cccc(c1NCC2=NCCN2)CO 34a_100011215590_100000737910 [0,1,0,0,0,1|0,0,2]=4 4073 B17R2.71328 Cc1cccc(c1NCc2c[nH]cn2)CO 34a_100011215590_100000707719 [0,1,0,0,0,1|2,0,0]=4 4074 B17R2.71328 Cc1cccc(c1NCc2cc[nH]n2)CO 207a_100011215590_100000738523 [0,1,0,0,0,1|2,0,0]=4 4075 B17R2.71328 Cc1cccc(c1NCc2ccco2)CO 207a_100011215590_100000186105 [0,1,0,0,0,1|2,0,0]=4 4076 B17R2.71328 Cc1cccc(c1NCc2ccco2)CO 270302a_100011215590_100000186105 [0,1,0,0,0,1|2,0,0]=4 4077 B17R2.71328 Cc1cccc(c1NCc2cccs2)CO 207a_100011215590_100000209959 [0,1,0,0,0,1|2,0,0]=4 4078 B17R2.71328 Cc1cccc(c1NCc2cccs2)CO 270302a_100011215590_100000209959 [0,1,0,0,0,1|2,0,0]=4 4079 B17R2.71328 Cc1cccc(c1NCc2ccn[nH]2)CO 34a_100011215590_100000728653 [0,1,0,0,0,1|2,0,0]=4 4080 B17R2.71328 Cc1cccc(c1NCc2ccon2)CO 34a_100011215590_100000234950 [0,1,0,0,0,1|2,0,0]=4 4081 B17R2.71328 Cc1cccc(c1NCc2cnc[nH]2)CO 207a_100011215590_100000742939 [0,1,0,0,0,1|2,0,0]=4 4082 B17R2.71328 Cc1cccc(c1NCc2cscn2)CO 207a_100011215590_100000743575 [0,1,0,0,0,1|2,0,0]=4 4083 B17R2.71328 Cc1cccc(c1NCc2cscn2)CO 270302a_100011215590_100000743575 [0,1,0,0,0,1|2,0,0]=4 4084 B17R2.71328 Cc1cccc(c1NCc2cscn2)CO 34a_100011215590_100000205941 [0,1,0,0,0,1|2,0,0]=4 4085 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)C#N 2230a_100011826843_100016991755 [0,1,0,0,0,1|0,0,1]=3 4086 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 207a_100011215590_100000743867 [0,1,0,0,0,1|0,0,0]=2 4087 B17R2.71328 Cc1cccc(c1NCc2ncc[nH]2)CO 34a_100011215590_100016991755 [0,1,0,0,0,1|0,0,0]=2 4088 B17R2.71328 Cc1cccc(c1NCc2ncco2)C#N 2230a_100011826843_103436540062 [0,1,0,0,0,1|1,0,1]=4 4089 B17R2.71328 Cc1cccc(c1NCc2ncco2)CO 34a_100011215590_103436540062 [0,1,0,0,0,1|1,0,0]=3 4090 B17R2.71328 Cc1cccc(c1NCc2nccs2)C#N 2230a_100011826843_100015184050 [0,1,0,0,0,1|1,0,1]=4 4091 B17R2.71328 Cc1cccc(c1NCc2nccs2)C#N 270302a_100011826843_100000750902 [0,1,0,0,0,1|1,0,1]=4 4092 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 207a_100011215590_100000750902 [0,1,0,0,0,1|1,0,0]=3 4093 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 270302a_100011215590_100000750902 [0,1,0,0,0,1|1,0,0]=3 4094 B17R2.71328 Cc1cccc(c1NCc2nccs2)CO 34a_100011215590_100015184050 [0,1,0,0,0,1|1,0,0]=3 4095 B17R2.71328 Cc1cccc(c1NCc2ncon2)CO 34a_100011215590_100000233494 [0,1,0,0,0,1|1,0,1]=4 4096 B17R2.71328 Cc1cccc(c1NCc2nnn[nH]2)CO 34a_100011215590_100000765167 [0,1,0,0,0,1|2,0,0]=4 4097 B17R2.71328 Cc1cccc(c1OCC2=NCCN2)CN 34a_100020639391_100000737910 [0,1,0,0,0,1|0,0,2]=4 4098 B17R2.71328 Cc1cccc(c1OCc2c[nH]cn2)CN 34a_100020639391_100000707719 [0,1,0,0,0,1|2,0,0]=4 4099 B17R2.71328 Cc1cccc(c1OCc2ccn[nH]2)CN 34a_100020639391_100000728653 [0,1,0,0,0,1|2,0,0]=4 4100 B17R2.71328 Cc1cccc(c1OCc2ccon2)CN 34a_100020639391_100000234950 [0,1,0,0,0,1|2,0,0]=4 4101 B17R2.71328 Cc1cccc(c1OCc2cscn2)CN 34a_100020639391_100000205941 [0,1,0,0,0,1|2,0,0]=4 4102 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)C#N 34a_100011659161_100016991755 [0,1,0,0,0,1|0,0,1]=3 4103 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)C#N 7a_100011659161_100000753453 [0,1,0,0,0,1|0,0,1]=3 4104 B17R2.71328 Cc1cccc(c1OCc2ncc[nH]2)CN 34a_100020639391_100016991755 [0,1,0,0,0,1|0,0,0]=2 4105 B17R2.71328 Cc1cccc(c1OCc2ncco2)C#N 34a_100011659161_103436540062 [0,1,0,0,0,1|1,0,1]=4 4106 B17R2.71328 Cc1cccc(c1OCc2ncco2)C#N 7a_100011659161_103436540062 [0,1,0,0,0,1|1,0,1]=4 4107 B17R2.71328 Cc1cccc(c1OCc2ncco2)CN 34a_100020639391_103436540062 [0,1,0,0,0,1|1,0,0]=3 4108 B17R2.71328 Cc1cccc(c1OCc2nccs2)C#N 34a_100011659161_100015184050 [0,1,0,0,0,1|1,0,1]=4 4109 B17R2.71328 Cc1cccc(c1OCc2nccs2)C#N 7a_100011659161_100015184050 [0,1,0,0,0,1|1,0,1]=4 4110 B17R2.71328 Cc1cccc(c1OCc2nccs2)CN 34a_100020639391_100015184050 [0,1,0,0,0,1|1,0,0]=3 4111 B17R2.71328 Cc1cccc(c1OCc2ncon2)CN 34a_100020639391_100000233494 [0,1,0,0,0,1|1,0,1]=4 4112 B17R2.71328 Cc1cccc(c1OCc2nnn[nH]2)CN 34a_100020639391_100000765167 [0,1,0,0,0,1|2,0,0]=4 4113 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100000737910_100011659289 [0,1,0,0,0,1|0,0,2]=4 4114 B17R2.71328 Cc1cccc(c1SCC2=NCCN2)CO 62a_100011659289_100000737910 [0,1,0,0,0,1|0,0,2]=4 4115 B17R2.71328 Cc1cccc(c1SCc2c[nH]cn2)CO 62a_100000707719_100011659289 [0,1,0,0,0,1|2,0,0]=4 4116 B17R2.71328 Cc1cccc(c1SCc2c[nH]cn2)CO 62a_100011659289_100000707719 [0,1,0,0,0,1|2,0,0]=4 4117 B17R2.71328 Cc1cccc(c1SCc2ccn[nH]2)CO 62a_100000728653_100011659289 [0,1,0,0,0,1|2,0,0]=4 4118 B17R2.71328 Cc1cccc(c1SCc2ccn[nH]2)CO 62a_100011659289_100000728653 [0,1,0,0,0,1|2,0,0]=4 4119 B17R2.71328 Cc1cccc(c1SCc2ccon2)CO 62a_100000234950_100011659289 [0,1,0,0,0,1|2,0,0]=4 4120 B17R2.71328 Cc1cccc(c1SCc2ccon2)CO 62a_100011659289_100000234950 [0,1,0,0,0,1|2,0,0]=4 4121 B17R2.71328 Cc1cccc(c1SCc2cscn2)CO 62a_100000205941_100011659289 [0,1,0,0,0,1|2,0,0]=4 4122 B17R2.71328 Cc1cccc(c1SCc2cscn2)CO 62a_100011659289_100000205941 [0,1,0,0,0,1|2,0,0]=4 4123 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C#N 62a_100016991755_100011934862 [0,1,0,0,0,1|0,0,1]=3 4124 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C=O 62a_100012186367_100016991755 [0,1,0,0,0,1|0,0,1]=3 4125 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)C=O 62a_100016991755_100012186367 [0,1,0,0,0,1|0,0,1]=3 4126 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100011659289_100016991755 [0,1,0,0,0,1|0,0,0]=2 4127 B17R2.71328 Cc1cccc(c1SCc2ncc[nH]2)CO 62a_100016991755_100011659289 [0,1,0,0,0,1|0,0,0]=2 4128 B17R2.71328 Cc1cccc(c1SCc2ncco2)C#N 62a_103436540062_100011934862 [0,1,0,0,0,1|1,0,1]=4 4129 B17R2.71328 Cc1cccc(c1SCc2ncco2)C=O 62a_100012186367_103436540062 [0,1,0,0,0,1|1,0,1]=4 4130 B17R2.71328 Cc1cccc(c1SCc2ncco2)C=O 62a_103436540062_100012186367 [0,1,0,0,0,1|1,0,1]=4 4131 B17R2.71328 Cc1cccc(c1SCc2ncco2)CO 62a_100011659289_103436540062 [0,1,0,0,0,1|1,0,0]=3 4132 B17R2.71328 Cc1cccc(c1SCc2ncco2)CO 62a_103436540062_100011659289 [0,1,0,0,0,1|1,0,0]=3 4133 B17R2.71328 Cc1cccc(c1SCc2nccs2)C#N 62a_100015184050_100011934862 [0,1,0,0,0,1|1,0,1]=4 4134 B17R2.71328 Cc1cccc(c1SCc2nccs2)C=O 62a_100012186367_100015184050 [0,1,0,0,0,1|1,0,1]=4 4135 B17R2.71328 Cc1cccc(c1SCc2nccs2)C=O 62a_100015184050_100012186367 [0,1,0,0,0,1|1,0,1]=4 4136 B17R2.71328 Cc1cccc(c1SCc2nccs2)CO 62a_100011659289_100015184050 [0,1,0,0,0,1|1,0,0]=3 4137 B17R2.71328 Cc1cccc(c1SCc2nccs2)CO 62a_100015184050_100011659289 [0,1,0,0,0,1|1,0,0]=3 4138 B17R2.71328 Cc1cccc(c1SCc2ncon2)CO 62a_100000233494_100011659289 [0,1,0,0,0,1|1,0,1]=4 4139 B17R2.71328 Cc1cccc(c1SCc2ncon2)CO 62a_100011659289_100000233494 [0,1,0,0,0,1|1,0,1]=4 4140 B17R2.71328 Cc1cccc(c1SCc2nnn[nH]2)CO 62a_100000765167_100011659289 [0,1,0,0,0,1|2,0,0]=4 4141 B17R2.71328 Cc1cccc(c1SCc2nnn[nH]2)CO 62a_100011659289_100000765167 [0,1,0,0,0,1|2,0,0]=4 4142 B17R2.71328 Cc1ccnc(c1SCc2ncc[nH]2)C#N 62a_100016991755_100009878727 [0,1,0,0,0,1|1,0,1]=4 4143 B17R2.71328 N#Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100010145454_100025796157 [0,1,0,0,0,1|1,0,1]=4 4144 B17R2.71328 N#Cc1cccc(c1CSc2ncc[nH]2)Br 62a_100025796157_100010145454 [0,1,0,0,0,1|1,0,1]=4 4145 B17R2.71328 N#Cc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100010254528 [0,1,0,0,0,1|1,0,1]=4 4146 B17R2.71328 N#Cc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100010254529 [0,1,0,0,0,1|1,0,1]=4 4147 B17R2.71328 N#Cc1cccc(c1NCc2ncc[nH]2)F 2230a_100011219409_100016991755 [0,1,0,0,0,1|1,0,1]=4 4148 B17R2.71328 N#Cc1cccc(c1NCc2ncc[nH]2)F 34a_100011219409_100016991755 [0,1,0,0,0,1|1,0,1]=4 4149 B17R2.71328 N#Cc1cccc(c1OCc2ncc[nH]2)Br 34a_100009817103_100016991755 [0,1,0,0,0,1|1,0,1]=4 4150 B17R2.71328 N#Cc1cccc(c1OCc2ncc[nH]2)Cl 34a_100009866432_100016991755 [0,1,0,0,0,1|1,0,1]=4 4151 B17R2.71328 N#Cc1cccc(c1OCc2ncc[nH]2)Cl 7a_100009866432_100000753453 [0,1,0,0,0,1|1,0,1]=4 4152 B17R2.71328 N#Cc1cccc(c1OCc2ncc[nH]2)F 34a_100000117915_100016991755 [0,1,0,0,0,1|1,0,1]=4 4153 B17R2.71328 N#Cc1cccc(c1OCc2ncc[nH]2)F 7a_100000117915_100000753453 [0,1,0,0,0,1|1,0,1]=4 4154 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100000703783_100016991755 [0,1,0,0,0,1|1,0,1]=4 4155 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100000703783 [0,1,0,0,0,1|1,0,1]=4 4156 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100010134094 [0,1,0,0,0,1|1,0,1]=4 4157 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100011219237 [0,1,0,0,0,1|1,0,1]=4 4158 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)N 62a_100016991755_100009877206 [0,1,0,0,0,1|1,0,1]=4 4159 B17R2.71328 N#Cc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100009818990 [0,1,0,0,0,1|1,0,1]=4 4160 B17R2.71328 NCc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100020638964 [0,1,0,0,0,1|1,0,0]=3 4161 B17R2.71328 NCc1cccc(c1SCc2ncc[nH]2)F 62a_100020638964_100016991755 [0,1,0,0,0,1|1,0,0]=3 4162 B17R2.71328 NCc1cccc(c1SCc2ncco2)F 62a_100020638964_103436540062 [0,1,0,0,0,1|2,0,0]=4 4163 B17R2.71328 NCc1cccc(c1SCc2ncco2)F 62a_103436540062_100020638964 [0,1,0,0,0,1|2,0,0]=4 4164 B17R2.71328 NCc1cccc(c1SCc2nccs2)F 62a_100015184050_100020638964 [0,1,0,0,0,1|2,0,0]=4 4165 B17R2.71328 NCc1cccc(c1SCc2nccs2)F 62a_100020638964_100015184050 [0,1,0,0,0,1|2,0,0]=4 4166 B17R2.71328 O=Cc1cccc(c1CSc2ncc[nH]2)F 62a_100010132767_100025796157 [0,1,0,0,0,1|1,0,1]=4 4167 B17R2.71328 O=Cc1cccc(c1CSc2ncc[nH]2)F 62a_100025796157_100010132767 [0,1,0,0,0,1|1,0,1]=4 4168 B17R2.71328 O=Cc1cccc(c1SCc2ncc[nH]2)F 62a_100011934749_100016991755 [0,1,0,0,0,1|1,0,1]=4 4169 B17R2.71328 O=Cc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100011934749 [0,1,0,0,0,1|1,0,1]=4 4170 B17R2.71328 O=Cc1cccc(c1SCc2ncc[nH]2)O 62a_100009816417_100016991755 [0,1,0,0,0,1|1,0,1]=4 4171 B17R2.71328 O=Cc1cccc(c1SCc2ncc[nH]2)O 62a_100016991755_100009816417 [0,1,0,0,0,1|1,0,1]=4 4172 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)Cl 34a_100012182729_100016991755 [0,1,0,0,0,1|1,0,0]=3 4173 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)F 207a_100000692437_100000743867 [0,1,0,0,0,1|1,0,0]=3 4174 B17R2.71328 OCc1cccc(c1NCc2ncc[nH]2)F 34a_100000692437_100016991755 [0,1,0,0,0,1|1,0,0]=3 4175 B17R2.71328 OCc1cccc(c1NCc2ncco2)Cl 34a_100012182729_103436540062 [0,1,0,0,0,1|2,0,0]=4 4176 B17R2.71328 OCc1cccc(c1NCc2ncco2)F 34a_100000692437_103436540062 [0,1,0,0,0,1|2,0,0]=4 4177 B17R2.71328 OCc1cccc(c1NCc2nccs2)Br 270302a_100012349457_100000750902 [0,1,0,0,0,1|2,0,0]=4 4178 B17R2.71328 OCc1cccc(c1NCc2nccs2)Cl 270302a_100012182729_100000750902 [0,1,0,0,0,1|2,0,0]=4 4179 B17R2.71328 OCc1cccc(c1NCc2nccs2)Cl 34a_100012182729_100015184050 [0,1,0,0,0,1|2,0,0]=4 4180 B17R2.71328 OCc1cccc(c1NCc2nccs2)F 207a_100000692437_100000750902 [0,1,0,0,0,1|2,0,0]=4 4181 B17R2.71328 OCc1cccc(c1NCc2nccs2)F 270302a_100000692437_100000750902 [0,1,0,0,0,1|2,0,0]=4 4182 B17R2.71328 OCc1cccc(c1NCc2nccs2)F 34a_100000692437_100015184050 [0,1,0,0,0,1|2,0,0]=4 4183 B17R2.71328 OCc1cccc(c1OCc2ncc[nH]2)F 34a_100011997349_100016991755 [0,1,0,0,0,1|1,0,0]=3 4184 B17R2.71328 OCc1cccc(c1OCc2ncc[nH]2)F 7a_100011997349_100000753453 [0,1,0,0,0,1|1,0,0]=3 4185 B17R2.71328 OCc1cccc(c1OCc2ncco2)F 34a_100011997349_103436540062 [0,1,0,0,0,1|2,0,0]=4 4186 B17R2.71328 OCc1cccc(c1OCc2ncco2)F 7a_100011997349_103436540062 [0,1,0,0,0,1|2,0,0]=4 4187 B17R2.71328 OCc1cccc(c1OCc2nccs2)F 34a_100011997349_100015184050 [0,1,0,0,0,1|2,0,0]=4 4188 B17R2.71328 OCc1cccc(c1OCc2nccs2)F 7a_100011997349_100015184050 [0,1,0,0,0,1|2,0,0]=4 4189 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)Br 62a_100010146604_100016991755 [0,1,0,0,0,1|1,0,0]=3 4190 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)Br 62a_100016991755_100010146604 [0,1,0,0,0,1|1,0,0]=3 4191 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)F 62a_100012351117_100016991755 [0,1,0,0,0,1|1,0,0]=3 4192 B17R2.71328 OCc1cccc(c1SCc2ncc[nH]2)F 62a_100016991755_100012351117 [0,1,0,0,0,1|1,0,0]=3 4193 B17R2.71328 OCc1cccc(c1SCc2ncco2)Br 62a_100010146604_103436540062 [0,1,0,0,0,1|2,0,0]=4 4194 B17R2.71328 OCc1cccc(c1SCc2ncco2)Br 62a_103436540062_100010146604 [0,1,0,0,0,1|2,0,0]=4 4195 B17R2.71328 OCc1cccc(c1SCc2ncco2)F 62a_100012351117_103436540062 [0,1,0,0,0,1|2,0,0]=4 4196 B17R2.71328 OCc1cccc(c1SCc2ncco2)F 62a_103436540062_100012351117 [0,1,0,0,0,1|2,0,0]=4 4197 B17R2.71328 OCc1cccc(c1SCc2nccs2)Br 62a_100010146604_100015184050 [0,1,0,0,0,1|2,0,0]=4 4198 B17R2.71328 OCc1cccc(c1SCc2nccs2)Br 62a_100015184050_100010146604 [0,1,0,0,0,1|2,0,0]=4 4199 B17R2.71328 OCc1cccc(c1SCc2nccs2)F 62a_100012351117_100015184050 [0,1,0,0,0,1|2,0,0]=4 4200 B17R2.71328 OCc1cccc(c1SCc2nccs2)F 62a_100015184050_100012351117 [0,1,0,0,0,1|2,0,0]=4 4201 B17R2.83661 Brc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 34a_100000210219_100016991755 [0,1,0,0,0,1|2,0,0]=4 4202 B17R2.83661 Brc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 7a_100000210219_100000753453 [0,1,0,0,0,1|2,0,0]=4 4203 B17R2.83661 Brc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_100011263223_100016991755 [0,1,0,0,0,1|2,0,0]=4 4204 B17R2.83661 Brc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_100016991755_100011263223 [0,1,0,0,0,1|2,0,0]=4 4205 B17R2.83661 Brc1cc(c(c(c1)I)OCc2ncc[nH]2)I 7a_100009997433_100000753453 [0,1,0,0,0,1|2,0,0]=4 4206 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2ncc[nH]2)Br 34a_100000184052_100016991755 [0,1,0,0,0,1|2,0,0]=4 4207 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2ncc[nH]2)C 34a_100000688863_100016991755 [0,1,0,0,0,1|1,0,0]=3 4208 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2ncc[nH]2)Cl 34a_100012339639_100016991755 [0,1,0,0,0,1|2,0,0]=4 4209 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2ncc[nH]2)F 34a_100012353694_100016991755 [0,1,0,0,0,1|2,0,0]=4 4210 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2ncco2)C 34a_100000688863_103436540062 [0,1,0,0,0,1|2,0,0]=4 4211 B17R2.83661 Cc1cc(c(c(c1)Br)NCc2nccs2)C 34a_100000688863_100015184050 [0,1,0,0,0,1|2,0,0]=4 4212 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 34a_100000203795_100016991755 [0,1,0,0,0,1|2,0,0]=4 4213 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 7a_100000203795_100000753453 [0,1,0,0,0,1|2,0,0]=4 4214 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)C 34a_100011934984_100016991755 [0,1,0,0,0,1|1,0,0]=3 4215 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)C 7a_100011934984_100000753453 [0,1,0,0,0,1|1,0,0]=3 4216 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)F 34a_200010713133_100016991755 [0,1,0,0,0,1|2,0,0]=4 4217 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncc[nH]2)F 7a_200010713133_100000753453 [0,1,0,0,0,1|2,0,0]=4 4218 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncco2)C 34a_100011934984_103436540062 [0,1,0,0,0,1|2,0,0]=4 4219 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2ncco2)C 7a_100011934984_103436540062 [0,1,0,0,0,1|2,0,0]=4 4220 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2nccs2)C 34a_100011934984_100015184050 [0,1,0,0,0,1|2,0,0]=4 4221 B17R2.83661 Cc1cc(c(c(c1)Br)OCc2nccs2)C 7a_100011934984_100015184050 [0,1,0,0,0,1|2,0,0]=4 4222 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_100016991755_200011219743 [0,1,0,0,0,1|2,0,0]=4 4223 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_200011219743_100016991755 [0,1,0,0,0,1|2,0,0]=4 4224 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)C 62a_100016991755_200012353697 [0,1,0,0,0,1|1,0,0]=3 4225 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)C 62a_200012353697_100016991755 [0,1,0,0,0,1|1,0,0]=3 4226 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)F 62a_100010208195_100016991755 [0,1,0,0,0,1|2,0,0]=4 4227 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncc[nH]2)F 62a_100016991755_100010208195 [0,1,0,0,0,1|2,0,0]=4 4228 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncco2)C 62a_103436540062_200012353697 [0,1,0,0,0,1|2,0,0]=4 4229 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2ncco2)C 62a_200012353697_103436540062 [0,1,0,0,0,1|2,0,0]=4 4230 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2nccs2)C 62a_100015184050_200012353697 [0,1,0,0,0,1|2,0,0]=4 4231 B17R2.83661 Cc1cc(c(c(c1)Br)SCc2nccs2)C 62a_200012353697_100015184050 [0,1,0,0,0,1|2,0,0]=4 4232 B17R2.83661 Cc1cc(c(c(c1)C)CNc2ncns2)C 27a_100000737526_100000693119 [0,1,0,0,0,1|2,0,0]=4 4233 B17R2.83661 Cc1cc(c(c(c1)C)CNc2nncs2)C 27a_100000737526_100000739804 [0,1,0,0,0,1|2,0,0]=4 4234 B17R2.83661 Cc1cc(c(c(c1)C)CSc2c[nH]cn2)C 62a_100000749405_100000756875 [0,1,0,0,0,1|2,0,0]=4 4235 B17R2.83661 Cc1cc(c(c(c1)C)CSc2c[nH]cn2)C 62a_100000756875_100000749405 [0,1,0,0,0,1|2,0,0]=4 4236 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cc[nH]n2)C 62a_100000062575_100000749405 [0,1,0,0,0,1|2,0,0]=4 4237 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cc[nH]n2)C 62a_100000749405_100000062575 [0,1,0,0,0,1|2,0,0]=4 4238 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccco2)C 62a_100000749405_100009814098 [0,1,0,0,0,1|2,0,0]=4 4239 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccco2)C 62a_100009814098_100000749405 [0,1,0,0,0,1|2,0,0]=4 4240 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cccs2)C 62a_100000749405_100011215356 [0,1,0,0,0,1|2,0,0]=4 4241 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cccs2)C 62a_100011215356_100000749405 [0,1,0,0,0,1|2,0,0]=4 4242 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccon2)C 62a_100000749405_100009818083 [0,1,0,0,0,1|2,0,0]=4 4243 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccon2)C 62a_100009818083_100000749405 [0,1,0,0,0,1|2,0,0]=4 4244 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccsn2)C 62a_100000749405_100009818082 [0,1,0,0,0,1|2,0,0]=4 4245 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ccsn2)C 62a_100009818082_100000749405 [0,1,0,0,0,1|2,0,0]=4 4246 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cscn2)C 62a_100000749405_100000751502 [0,1,0,0,0,1|2,0,0]=4 4247 B17R2.83661 Cc1cc(c(c(c1)C)CSc2cscn2)C 62a_100000751502_100000749405 [0,1,0,0,0,1|2,0,0]=4 4248 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nc[nH]n2)C 62a_100000749405_100000761765 [0,1,0,0,0,1|1,0,1]=4 4249 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nc[nH]n2)C 62a_100000761765_100000749405 [0,1,0,0,0,1|1,0,1]=4 4250 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncc[nH]2)C 62a_100000749405_100025796157 [0,1,0,0,0,1|0,0,0]=2 4251 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncc[nH]2)C 62a_100025796157_100000749405 [0,1,0,0,0,1|0,0,0]=2 4252 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncco2)C 62a_100000749405_100011787736 [0,1,0,0,0,1|1,0,0]=3 4253 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncco2)C 62a_100011787736_100000749405 [0,1,0,0,0,1|1,0,0]=3 4254 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nccs2)C 62a_100000211983_100000749405 [0,1,0,0,0,1|1,0,0]=3 4255 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nccs2)C 62a_100000749405_100000211983 [0,1,0,0,0,1|1,0,0]=3 4256 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncns2)C 62a_100000693119_100000749405 [0,1,0,0,0,1|2,0,0]=4 4257 B17R2.83661 Cc1cc(c(c(c1)C)CSc2ncns2)C 62a_100000749405_100000693119 [0,1,0,0,0,1|2,0,0]=4 4258 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nncs2)C 62a_100000739804_100000749405 [0,1,0,0,0,1|2,0,0]=4 4259 B17R2.83661 Cc1cc(c(c(c1)C)CSc2nncs2)C 62a_100000749405_100000739804 [0,1,0,0,0,1|2,0,0]=4 4260 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 34a_100000210045_100000737910 [0,1,0,0,0,1|0,0,2]=4 4261 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 7a_100000210045_100000737910 [0,1,0,0,0,1|0,0,2]=4 4262 B17R2.83661 Cc1cc(c(c(c1)C)NCc2c[nH]cn2)C 34a_100000210045_100000707719 [0,1,0,0,0,1|2,0,0]=4 4263 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cc[nH]n2)C 207a_100000210045_100000738523 [0,1,0,0,0,1|2,0,0]=4 4264 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccco2)C 207a_100000210045_100000186105 [0,1,0,0,0,1|2,0,0]=4 4265 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccco2)C 270302a_100000210045_100000186105 [0,1,0,0,0,1|2,0,0]=4 4266 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cccs2)C 207a_100000210045_100000209959 [0,1,0,0,0,1|2,0,0]=4 4267 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cccs2)C 270302a_100000210045_100000209959 [0,1,0,0,0,1|2,0,0]=4 4268 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccn[nH]2)C 34a_100000210045_100000728653 [0,1,0,0,0,1|2,0,0]=4 4269 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccn[nH]2)C 7a_100000210045_100000728653 [0,1,0,0,0,1|2,0,0]=4 4270 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccon2)C 34a_100000210045_100000234950 [0,1,0,0,0,1|2,0,0]=4 4271 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ccon2)C 7a_100000210045_100000234950 [0,1,0,0,0,1|2,0,0]=4 4272 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cnc[nH]2)C 207a_100000210045_100000742939 [0,1,0,0,0,1|2,0,0]=4 4273 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cscn2)C 207a_100000210045_100000743575 [0,1,0,0,0,1|2,0,0]=4 4274 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cscn2)C 270302a_100000210045_100000743575 [0,1,0,0,0,1|2,0,0]=4 4275 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cscn2)C 34a_100000210045_100000205941 [0,1,0,0,0,1|2,0,0]=4 4276 B17R2.83661 Cc1cc(c(c(c1)C)NCc2cscn2)C 7a_100000210045_100000205941 [0,1,0,0,0,1|2,0,0]=4 4277 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 207a_100000210045_100000743867 [0,1,0,0,0,1|0,0,0]=2 4278 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 34a_100000210045_100016991755 [0,1,0,0,0,1|0,0,0]=2 4279 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncc[nH]2)C 7a_100000210045_100000753453 [0,1,0,0,0,1|0,0,0]=2 4280 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncco2)C 34a_100000210045_103436540062 [0,1,0,0,0,1|1,0,0]=3 4281 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncco2)C 7a_100000210045_103436540062 [0,1,0,0,0,1|1,0,0]=3 4282 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nccs2)C 207a_100000210045_100000750902 [0,1,0,0,0,1|1,0,0]=3 4283 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nccs2)C 270302a_100000210045_100000750902 [0,1,0,0,0,1|1,0,0]=3 4284 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nccs2)C 34a_100000210045_100015184050 [0,1,0,0,0,1|1,0,0]=3 4285 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nccs2)C 7a_100000210045_100015184050 [0,1,0,0,0,1|1,0,0]=3 4286 B17R2.83661 Cc1cc(c(c(c1)C)NCc2ncon2)C 34a_100000210045_100000233494 [0,1,0,0,0,1|1,0,1]=4 4287 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nnn[nH]2)C 34a_100000210045_100000765167 [0,1,0,0,0,1|2,0,0]=4 4288 B17R2.83661 Cc1cc(c(c(c1)C)NCc2nnn[nH]2)C 7a_100000210045_100000765167 [0,1,0,0,0,1|2,0,0]=4 4289 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 34a_100000212074_100000737910 [0,1,0,0,0,1|0,0,2]=4 4290 B17R2.83661 Cc1cc(c(c(c1)C)OCC2=NCCN2)C 7a_100000212074_100000737910 [0,1,0,0,0,1|0,0,2]=4 4291 B17R2.83661 Cc1cc(c(c(c1)C)OCc2c[nH]cn2)C 34a_100000212074_100000707719 [0,1,0,0,0,1|2,0,0]=4 4292 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ccn[nH]2)C 34a_100000212074_100000728653 [0,1,0,0,0,1|2,0,0]=4 4293 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ccn[nH]2)C 7a_100000212074_100000728653 [0,1,0,0,0,1|2,0,0]=4 4294 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ccon2)C 34a_100000212074_100000234950 [0,1,0,0,0,1|2,0,0]=4 4295 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ccon2)C 7a_100000212074_100000234950 [0,1,0,0,0,1|2,0,0]=4 4296 B17R2.83661 Cc1cc(c(c(c1)C)OCc2cscn2)C 34a_100000212074_100000205941 [0,1,0,0,0,1|2,0,0]=4 4297 B17R2.83661 Cc1cc(c(c(c1)C)OCc2cscn2)C 7a_100000212074_100000205941 [0,1,0,0,0,1|2,0,0]=4 4298 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncc[nH]2)C 34a_100000212074_100016991755 [0,1,0,0,0,1|0,0,0]=2 4299 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncc[nH]2)C 7a_100000212074_100000753453 [0,1,0,0,0,1|0,0,0]=2 4300 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncco2)C 34a_100000212074_103436540062 [0,1,0,0,0,1|1,0,0]=3 4301 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncco2)C 7a_100000212074_103436540062 [0,1,0,0,0,1|1,0,0]=3 4302 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nccs2)C 34a_100000212074_100015184050 [0,1,0,0,0,1|1,0,0]=3 4303 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nccs2)C 7a_100000212074_100015184050 [0,1,0,0,0,1|1,0,0]=3 4304 B17R2.83661 Cc1cc(c(c(c1)C)OCc2ncon2)C 34a_100000212074_100000233494 [0,1,0,0,0,1|1,0,1]=4 4305 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nnn[nH]2)C 34a_100000212074_100000765167 [0,1,0,0,0,1|2,0,0]=4 4306 B17R2.83661 Cc1cc(c(c(c1)C)OCc2nnn[nH]2)C 7a_100000212074_100000765167 [0,1,0,0,0,1|2,0,0]=4 4307 B17R2.83661 Cc1cc(c(c(c1)C)SCC2=NCCN2)C 62a_100000737910_100011204320 [0,1,0,0,0,1|0,0,2]=4 4308 B17R2.83661 Cc1cc(c(c(c1)C)SCC2=NCCN2)C 62a_100011204320_100000737910 [0,1,0,0,0,1|0,0,2]=4 4309 B17R2.83661 Cc1cc(c(c(c1)C)SCc2c[nH]cn2)C 62a_100000707719_100011204320 [0,1,0,0,0,1|2,0,0]=4 4310 B17R2.83661 Cc1cc(c(c(c1)C)SCc2c[nH]cn2)C 62a_100011204320_100000707719 [0,1,0,0,0,1|2,0,0]=4 4311 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ccn[nH]2)C 62a_100000728653_100011204320 [0,1,0,0,0,1|2,0,0]=4 4312 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ccn[nH]2)C 62a_100011204320_100000728653 [0,1,0,0,0,1|2,0,0]=4 4313 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ccon2)C 62a_100000234950_100011204320 [0,1,0,0,0,1|2,0,0]=4 4314 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ccon2)C 62a_100011204320_100000234950 [0,1,0,0,0,1|2,0,0]=4 4315 B17R2.83661 Cc1cc(c(c(c1)C)SCc2cscn2)C 62a_100000205941_100011204320 [0,1,0,0,0,1|2,0,0]=4 4316 B17R2.83661 Cc1cc(c(c(c1)C)SCc2cscn2)C 62a_100011204320_100000205941 [0,1,0,0,0,1|2,0,0]=4 4317 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncc[nH]2)C 62a_100011204320_100016991755 [0,1,0,0,0,1|0,0,0]=2 4318 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncc[nH]2)C 62a_100016991755_100011204320 [0,1,0,0,0,1|0,0,0]=2 4319 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncco2)C 62a_100011204320_103436540062 [0,1,0,0,0,1|1,0,0]=3 4320 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncco2)C 62a_103436540062_100011204320 [0,1,0,0,0,1|1,0,0]=3 4321 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nccs2)C 62a_100011204320_100015184050 [0,1,0,0,0,1|1,0,0]=3 4322 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nccs2)C 62a_100015184050_100011204320 [0,1,0,0,0,1|1,0,0]=3 4323 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncon2)C 62a_100000233494_100011204320 [0,1,0,0,0,1|1,0,1]=4 4324 B17R2.83661 Cc1cc(c(c(c1)C)SCc2ncon2)C 62a_100011204320_100000233494 [0,1,0,0,0,1|1,0,1]=4 4325 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nnn[nH]2)C 62a_100000765167_100011204320 [0,1,0,0,0,1|2,0,0]=4 4326 B17R2.83661 Cc1cc(c(c(c1)C)SCc2nnn[nH]2)C 62a_100011204320_100000765167 [0,1,0,0,0,1|2,0,0]=4 4327 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)C 34a_100000211461_100016991755 [0,1,0,0,0,1|1,0,0]=3 4328 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)C 7a_100000211461_100000753453 [0,1,0,0,0,1|1,0,0]=3 4329 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100011996032_100016991755 [0,1,0,0,0,1|2,0,0]=4 4330 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)O 34a_100015906060_100016991755 [0,1,0,0,0,1|2,0,0]=4 4331 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncco2)C 34a_100000211461_103436540062 [0,1,0,0,0,1|2,0,0]=4 4332 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncco2)C 7a_100000211461_103436540062 [0,1,0,0,0,1|2,0,0]=4 4333 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2nccs2)C 270302a_100000211461_100000750902 [0,1,0,0,0,1|2,0,0]=4 4334 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2nccs2)C 34a_100000211461_100015184050 [0,1,0,0,0,1|2,0,0]=4 4335 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2nccs2)C 7a_100000211461_100015184050 [0,1,0,0,0,1|2,0,0]=4 4336 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000034925_100016991755 [0,1,0,0,0,1|2,0,0]=4 4337 B17R2.83661 Cc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000034925_100000753453 [0,1,0,0,0,1|2,0,0]=4 4338 B17R2.83661 Cc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100015306127_100016991755 [0,1,0,0,0,1|2,0,0]=4 4339 B17R2.83661 Cc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100016991755_100015306127 [0,1,0,0,0,1|2,0,0]=4 4340 B17R2.83661 Cc1cc(c(c(c1)F)SCc2ncc[nH]2)N 62a_100016991755_100021129147 [0,1,0,0,0,1|2,0,0]=4 4341 B17R2.83661 Cc1cc(c(c(c1)F)SCc2ncc[nH]2)N 62a_100021129147_100016991755 [0,1,0,0,0,1|2,0,0]=4 4342 B17R2.83661 Cc1cc(c(c(c1)I)OCc2ncc[nH]2)F 34a_200135191068_100016991755 [0,1,0,0,0,1|2,0,0]=4 4343 B17R2.83661 Cc1cc(c(c(c1)I)OCc2ncc[nH]2)F 7a_200135191068_100000753453 [0,1,0,0,0,1|2,0,0]=4 4344 B17R2.83661 Cc1cc(c(c(c1)N)OCc2ncc[nH]2)C 34a_100011216242_100016991755 [0,1,0,0,0,1|1,0,0]=3 4345 B17R2.83661 Cc1cc(c(c(c1)N)OCc2ncc[nH]2)C 7a_100011216242_100000753453 [0,1,0,0,0,1|1,0,0]=3 4346 B17R2.83661 Cc1cc(c(c(c1)N)OCc2ncco2)C 34a_100011216242_103436540062 [0,1,0,0,0,1|2,0,0]=4 4347 B17R2.83661 Cc1cc(c(c(c1)N)OCc2ncco2)C 7a_100011216242_103436540062 [0,1,0,0,0,1|2,0,0]=4 4348 B17R2.83661 Cc1cc(c(c(c1)N)OCc2nccs2)C 34a_100011216242_100015184050 [0,1,0,0,0,1|2,0,0]=4 4349 B17R2.83661 Cc1cc(c(c(c1)N)OCc2nccs2)C 7a_100011216242_100015184050 [0,1,0,0,0,1|2,0,0]=4 4350 B17R2.83661 Cc1cc(c(c(c1)O)SCc2ncc[nH]2)C 62a_100010342985_100016991755 [0,1,0,0,0,1|1,0,0]=3 4351 B17R2.83661 Cc1cc(c(c(c1)O)SCc2ncc[nH]2)C 62a_100016991755_100010342985 [0,1,0,0,0,1|1,0,0]=3 4352 B17R2.83661 Cc1cc(c(c(c1)O)SCc2ncco2)C 62a_100010342985_103436540062 [0,1,0,0,0,1|2,0,0]=4 4353 B17R2.83661 Cc1cc(c(c(c1)O)SCc2ncco2)C 62a_103436540062_100010342985 [0,1,0,0,0,1|2,0,0]=4 4354 B17R2.83661 Cc1cc(c(c(c1)O)SCc2nccs2)C 62a_100010342985_100015184050 [0,1,0,0,0,1|2,0,0]=4 4355 B17R2.83661 Cc1cc(c(c(c1)O)SCc2nccs2)C 62a_100015184050_100010342985 [0,1,0,0,0,1|2,0,0]=4 4356 B17R2.83661 Cc1cc(c(c(n1)C)SCc2ncc[nH]2)N 62a_100010261885_100016991755 [0,1,0,0,0,1|2,0,0]=4 4357 B17R2.83661 Cc1cc(c(c(n1)C)SCc2ncc[nH]2)N 62a_100016991755_100010261885 [0,1,0,0,0,1|2,0,0]=4 4358 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 34a_100000737279_100000737910 [0,1,0,0,0,1|0,0,2]=4 4359 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 7a_100000737279_100000737910 [0,1,0,0,0,1|0,0,2]=4 4360 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 34a_100000692879_100000737910 [0,1,0,0,0,1|0,0,2]=4 4361 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 7a_100000692879_100000737910 [0,1,0,0,0,1|0,0,2]=4 4362 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 34a_100011290887_100000737910 [0,1,0,0,0,1|0,0,2]=4 4363 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 7a_100011290887_100000737910 [0,1,0,0,0,1|0,0,2]=4 4364 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)I 7a_100011356821_100000737910 [0,1,0,0,0,1|0,0,2]=4 4365 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)O 34a_100011934200_100000737910 [0,1,0,0,0,1|0,0,2]=4 4366 B17R2.83661 Cc1cc(cc(c1NCc2c[nH]cn2)C)Br 34a_100000737279_100000707719 [0,1,0,0,0,1|2,0,0]=4 4367 B17R2.83661 Cc1cc(cc(c1NCc2c[nH]cn2)C)Cl 34a_100000692879_100000707719 [0,1,0,0,0,1|2,0,0]=4 4368 B17R2.83661 Cc1cc(cc(c1NCc2c[nH]cn2)C)F 34a_100011290887_100000707719 [0,1,0,0,0,1|2,0,0]=4 4369 B17R2.83661 Cc1cc(cc(c1NCc2c[nH]cn2)C)O 34a_100011934200_100000707719 [0,1,0,0,0,1|2,0,0]=4 4370 B17R2.83661 Cc1cc(cc(c1NCc2cc[nH]n2)C)Br 207a_100000737279_100000738523 [0,1,0,0,0,1|2,0,0]=4 4371 B17R2.83661 Cc1cc(cc(c1NCc2cc[nH]n2)C)Cl 207a_100000692879_100000738523 [0,1,0,0,0,1|2,0,0]=4 4372 B17R2.83661 Cc1cc(cc(c1NCc2cc[nH]n2)C)F 207a_100011290887_100000738523 [0,1,0,0,0,1|2,0,0]=4 4373 B17R2.83661 Cc1cc(cc(c1NCc2cc[nH]n2)C)I 207a_100011356821_100000738523 [0,1,0,0,0,1|2,0,0]=4 4374 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)Br 207a_100000737279_100000186105 [0,1,0,0,0,1|2,0,0]=4 4375 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)Br 270302a_100000737279_100000186105 [0,1,0,0,0,1|2,0,0]=4 4376 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)Cl 207a_100000692879_100000186105 [0,1,0,0,0,1|2,0,0]=4 4377 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)Cl 270302a_100000692879_100000186105 [0,1,0,0,0,1|2,0,0]=4 4378 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)F 207a_100011290887_100000186105 [0,1,0,0,0,1|2,0,0]=4 4379 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)F 270302a_100011290887_100000186105 [0,1,0,0,0,1|2,0,0]=4 4380 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)I 207a_100011356821_100000186105 [0,1,0,0,0,1|2,0,0]=4 4381 B17R2.83661 Cc1cc(cc(c1NCc2ccco2)C)I 270302a_100011356821_100000186105 [0,1,0,0,0,1|2,0,0]=4 4382 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)Br 207a_100000737279_100000209959 [0,1,0,0,0,1|2,0,0]=4 4383 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)Br 270302a_100000737279_100000209959 [0,1,0,0,0,1|2,0,0]=4 4384 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)Cl 207a_100000692879_100000209959 [0,1,0,0,0,1|2,0,0]=4 4385 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)Cl 270302a_100000692879_100000209959 [0,1,0,0,0,1|2,0,0]=4 4386 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)F 207a_100011290887_100000209959 [0,1,0,0,0,1|2,0,0]=4 4387 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)F 270302a_100011290887_100000209959 [0,1,0,0,0,1|2,0,0]=4 4388 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)I 207a_100011356821_100000209959 [0,1,0,0,0,1|2,0,0]=4 4389 B17R2.83661 Cc1cc(cc(c1NCc2cccs2)C)I 270302a_100011356821_100000209959 [0,1,0,0,0,1|2,0,0]=4 4390 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)Br 34a_100000737279_100000728653 [0,1,0,0,0,1|2,0,0]=4 4391 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)Br 7a_100000737279_100000728653 [0,1,0,0,0,1|2,0,0]=4 4392 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)Cl 34a_100000692879_100000728653 [0,1,0,0,0,1|2,0,0]=4 4393 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)Cl 7a_100000692879_100000728653 [0,1,0,0,0,1|2,0,0]=4 4394 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)F 34a_100011290887_100000728653 [0,1,0,0,0,1|2,0,0]=4 4395 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)F 7a_100011290887_100000728653 [0,1,0,0,0,1|2,0,0]=4 4396 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)I 7a_100011356821_100000728653 [0,1,0,0,0,1|2,0,0]=4 4397 B17R2.83661 Cc1cc(cc(c1NCc2ccn[nH]2)C)O 34a_100011934200_100000728653 [0,1,0,0,0,1|2,0,0]=4 4398 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)Br 34a_100000737279_100000234950 [0,1,0,0,0,1|2,0,0]=4 4399 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)Br 7a_100000737279_100000234950 [0,1,0,0,0,1|2,0,0]=4 4400 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)Cl 34a_100000692879_100000234950 [0,1,0,0,0,1|2,0,0]=4 4401 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)Cl 7a_100000692879_100000234950 [0,1,0,0,0,1|2,0,0]=4 4402 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)F 34a_100011290887_100000234950 [0,1,0,0,0,1|2,0,0]=4 4403 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)F 7a_100011290887_100000234950 [0,1,0,0,0,1|2,0,0]=4 4404 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)I 7a_100011356821_100000234950 [0,1,0,0,0,1|2,0,0]=4 4405 B17R2.83661 Cc1cc(cc(c1NCc2ccon2)C)O 34a_100011934200_100000234950 [0,1,0,0,0,1|2,0,0]=4 4406 B17R2.83661 Cc1cc(cc(c1NCc2cnc[nH]2)C)Br 207a_100000737279_100000742939 [0,1,0,0,0,1|2,0,0]=4 4407 B17R2.83661 Cc1cc(cc(c1NCc2cnc[nH]2)C)Cl 207a_100000692879_100000742939 [0,1,0,0,0,1|2,0,0]=4 4408 B17R2.83661 Cc1cc(cc(c1NCc2cnc[nH]2)C)F 207a_100011290887_100000742939 [0,1,0,0,0,1|2,0,0]=4 4409 B17R2.83661 Cc1cc(cc(c1NCc2cnc[nH]2)C)I 207a_100011356821_100000742939 [0,1,0,0,0,1|2,0,0]=4 4410 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Br 207a_100000737279_100000743575 [0,1,0,0,0,1|2,0,0]=4 4411 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Br 270302a_100000737279_100000743575 [0,1,0,0,0,1|2,0,0]=4 4412 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Br 34a_100000737279_100000205941 [0,1,0,0,0,1|2,0,0]=4 4413 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Br 7a_100000737279_100000205941 [0,1,0,0,0,1|2,0,0]=4 4414 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Cl 207a_100000692879_100000743575 [0,1,0,0,0,1|2,0,0]=4 4415 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Cl 270302a_100000692879_100000743575 [0,1,0,0,0,1|2,0,0]=4 4416 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Cl 34a_100000692879_100000205941 [0,1,0,0,0,1|2,0,0]=4 4417 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)Cl 7a_100000692879_100000205941 [0,1,0,0,0,1|2,0,0]=4 4418 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)F 207a_100011290887_100000743575 [0,1,0,0,0,1|2,0,0]=4 4419 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)F 270302a_100011290887_100000743575 [0,1,0,0,0,1|2,0,0]=4 4420 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)F 34a_100011290887_100000205941 [0,1,0,0,0,1|2,0,0]=4 4421 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)F 7a_100011290887_100000205941 [0,1,0,0,0,1|2,0,0]=4 4422 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)I 207a_100011356821_100000743575 [0,1,0,0,0,1|2,0,0]=4 4423 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)I 270302a_100011356821_100000743575 [0,1,0,0,0,1|2,0,0]=4 4424 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)I 7a_100011356821_100000205941 [0,1,0,0,0,1|2,0,0]=4 4425 B17R2.83661 Cc1cc(cc(c1NCc2cscn2)C)O 34a_100011934200_100000205941 [0,1,0,0,0,1|2,0,0]=4 4426 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)Br 34a_100012047207_100016991755 [0,1,0,0,0,1|1,0,0]=3 4427 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)Br 7a_100012047207_100000753453 [0,1,0,0,0,1|1,0,0]=3 4428 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)Cl 34a_100012353696_100016991755 [0,1,0,0,0,1|1,0,0]=3 4429 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)Cl 7a_100012353696_100000753453 [0,1,0,0,0,1|1,0,0]=3 4430 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)F 34a_100011216670_100016991755 [0,1,0,0,0,1|1,0,0]=3 4431 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Br)F 7a_100011216670_100000753453 [0,1,0,0,0,1|1,0,0]=3 4432 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 207a_100000737279_100000743867 [0,1,0,0,0,1|0,0,0]=2 4433 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 34a_100000737279_100016991755 [0,1,0,0,0,1|0,0,0]=2 4434 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Br 7a_100000737279_100000753453 [0,1,0,0,0,1|0,0,0]=2 4435 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 207a_100000692879_100000743867 [0,1,0,0,0,1|0,0,0]=2 4436 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 34a_100000692879_100016991755 [0,1,0,0,0,1|0,0,0]=2 4437 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)Cl 7a_100000692879_100000753453 [0,1,0,0,0,1|0,0,0]=2 4438 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 207a_100011290887_100000743867 [0,1,0,0,0,1|0,0,0]=2 4439 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 34a_100011290887_100016991755 [0,1,0,0,0,1|0,0,0]=2 4440 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)F 7a_100011290887_100000753453 [0,1,0,0,0,1|0,0,0]=2 4441 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)I 207a_100011356821_100000743867 [0,1,0,0,0,1|0,0,0]=2 4442 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)I 7a_100011356821_100000753453 [0,1,0,0,0,1|0,0,0]=2 4443 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)C)O 34a_100011934200_100016991755 [0,1,0,0,0,1|0,0,0]=2 4444 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 34a_100000741131_100016991755 [0,1,0,0,0,1|1,0,0]=3 4445 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 7a_100000741131_100000753453 [0,1,0,0,0,1|1,0,0]=3 4446 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)Cl 34a_100011215104_100016991755 [0,1,0,0,0,1|1,0,0]=3 4447 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)Cl 7a_100011215104_100000753453 [0,1,0,0,0,1|1,0,0]=3 4448 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)F 34a_100000725997_100016991755 [0,1,0,0,0,1|1,0,0]=3 4449 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)Cl)F 7a_100000725997_100000753453 [0,1,0,0,0,1|1,0,0]=3 4450 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Br 207a_100000709789_100000743867 [0,1,0,0,0,1|1,0,0]=3 4451 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Br 34a_100000709789_100016991755 [0,1,0,0,0,1|1,0,0]=3 4452 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Br 7a_100000709789_100000753453 [0,1,0,0,0,1|1,0,0]=3 4453 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Cl 207a_100012017672_100000743867 [0,1,0,0,0,1|1,0,0]=3 4454 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Cl 34a_100012017672_100016991755 [0,1,0,0,0,1|1,0,0]=3 4455 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)F)Cl 7a_100012017672_100000753453 [0,1,0,0,0,1|1,0,0]=3 4456 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)I)Br 7a_200000690823_100000753453 [0,1,0,0,0,1|1,0,0]=3 4457 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)I)Cl 7a_100012344046_100000753453 [0,1,0,0,0,1|1,0,0]=3 4458 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)O)Br 34a_100010371313_100016991755 [0,1,0,0,0,1|1,0,0]=3 4459 B17R2.83661 Cc1cc(cc(c1NCc2ncc[nH]2)O)Br 7a_100010371313_100000753453 [0,1,0,0,0,1|1,0,0]=3 4460 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)Br 34a_100012047207_103436540062 [0,1,0,0,0,1|2,0,0]=4 4461 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)Br 7a_100012047207_103436540062 [0,1,0,0,0,1|2,0,0]=4 4462 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)Cl 34a_100012353696_103436540062 [0,1,0,0,0,1|2,0,0]=4 4463 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)Cl 7a_100012353696_103436540062 [0,1,0,0,0,1|2,0,0]=4 4464 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)F 34a_100011216670_103436540062 [0,1,0,0,0,1|2,0,0]=4 4465 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Br)F 7a_100011216670_103436540062 [0,1,0,0,0,1|2,0,0]=4 4466 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)Br 34a_100000737279_103436540062 [0,1,0,0,0,1|1,0,0]=3 4467 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)Br 7a_100000737279_103436540062 [0,1,0,0,0,1|1,0,0]=3 4468 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)Cl 34a_100000692879_103436540062 [0,1,0,0,0,1|1,0,0]=3 4469 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)Cl 7a_100000692879_103436540062 [0,1,0,0,0,1|1,0,0]=3 4470 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)F 34a_100011290887_103436540062 [0,1,0,0,0,1|1,0,0]=3 4471 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)F 7a_100011290887_103436540062 [0,1,0,0,0,1|1,0,0]=3 4472 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)I 7a_100011356821_103436540062 [0,1,0,0,0,1|1,0,0]=3 4473 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)C)O 34a_100011934200_103436540062 [0,1,0,0,0,1|1,0,0]=3 4474 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)Br 34a_100000741131_103436540062 [0,1,0,0,0,1|2,0,0]=4 4475 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)Br 7a_100000741131_103436540062 [0,1,0,0,0,1|2,0,0]=4 4476 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)Cl 34a_100011215104_103436540062 [0,1,0,0,0,1|2,0,0]=4 4477 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)Cl 7a_100011215104_103436540062 [0,1,0,0,0,1|2,0,0]=4 4478 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)F 34a_100000725997_103436540062 [0,1,0,0,0,1|2,0,0]=4 4479 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)Cl)F 7a_100000725997_103436540062 [0,1,0,0,0,1|2,0,0]=4 4480 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)F)Br 34a_100000709789_103436540062 [0,1,0,0,0,1|2,0,0]=4 4481 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)F)Br 7a_100000709789_103436540062 [0,1,0,0,0,1|2,0,0]=4 4482 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)F)Cl 34a_100012017672_103436540062 [0,1,0,0,0,1|2,0,0]=4 4483 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)F)Cl 7a_100012017672_103436540062 [0,1,0,0,0,1|2,0,0]=4 4484 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)I)Br 7a_200000690823_103436540062 [0,1,0,0,0,1|2,0,0]=4 4485 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)I)Cl 7a_100012344046_103436540062 [0,1,0,0,0,1|2,0,0]=4 4486 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)O)Br 34a_100010371313_103436540062 [0,1,0,0,0,1|2,0,0]=4 4487 B17R2.83661 Cc1cc(cc(c1NCc2ncco2)O)Br 7a_100010371313_103436540062 [0,1,0,0,0,1|2,0,0]=4 4488 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)Br 34a_100012047207_100015184050 [0,1,0,0,0,1|2,0,0]=4 4489 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)Br 7a_100012047207_100015184050 [0,1,0,0,0,1|2,0,0]=4 4490 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)Cl 34a_100012353696_100015184050 [0,1,0,0,0,1|2,0,0]=4 4491 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)Cl 7a_100012353696_100015184050 [0,1,0,0,0,1|2,0,0]=4 4492 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)F 34a_100011216670_100015184050 [0,1,0,0,0,1|2,0,0]=4 4493 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Br)F 7a_100011216670_100015184050 [0,1,0,0,0,1|2,0,0]=4 4494 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Br 207a_100000737279_100000750902 [0,1,0,0,0,1|1,0,0]=3 4495 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Br 270302a_100000737279_100000750902 [0,1,0,0,0,1|1,0,0]=3 4496 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Br 34a_100000737279_100015184050 [0,1,0,0,0,1|1,0,0]=3 4497 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Br 7a_100000737279_100015184050 [0,1,0,0,0,1|1,0,0]=3 4498 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Cl 207a_100000692879_100000750902 [0,1,0,0,0,1|1,0,0]=3 4499 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Cl 270302a_100000692879_100000750902 [0,1,0,0,0,1|1,0,0]=3 4500 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Cl 34a_100000692879_100015184050 [0,1,0,0,0,1|1,0,0]=3 4501 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)Cl 7a_100000692879_100015184050 [0,1,0,0,0,1|1,0,0]=3 4502 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)F 207a_100011290887_100000750902 [0,1,0,0,0,1|1,0,0]=3 4503 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)F 270302a_100011290887_100000750902 [0,1,0,0,0,1|1,0,0]=3 4504 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)F 34a_100011290887_100015184050 [0,1,0,0,0,1|1,0,0]=3 4505 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)F 7a_100011290887_100015184050 [0,1,0,0,0,1|1,0,0]=3 4506 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)I 207a_100011356821_100000750902 [0,1,0,0,0,1|1,0,0]=3 4507 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)I 270302a_100011356821_100000750902 [0,1,0,0,0,1|1,0,0]=3 4508 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)I 7a_100011356821_100015184050 [0,1,0,0,0,1|1,0,0]=3 4509 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)C)O 34a_100011934200_100015184050 [0,1,0,0,0,1|1,0,0]=3 4510 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)Br 270302a_100000741131_100000750902 [0,1,0,0,0,1|2,0,0]=4 4511 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)Br 34a_100000741131_100015184050 [0,1,0,0,0,1|2,0,0]=4 4512 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)Br 7a_100000741131_100015184050 [0,1,0,0,0,1|2,0,0]=4 4513 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)Cl 34a_100011215104_100015184050 [0,1,0,0,0,1|2,0,0]=4 4514 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)Cl 7a_100011215104_100015184050 [0,1,0,0,0,1|2,0,0]=4 4515 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)F 270302a_100000725997_100000750902 [0,1,0,0,0,1|2,0,0]=4 4516 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)F 34a_100000725997_100015184050 [0,1,0,0,0,1|2,0,0]=4 4517 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)Cl)F 7a_100000725997_100015184050 [0,1,0,0,0,1|2,0,0]=4 4518 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Br 207a_100000709789_100000750902 [0,1,0,0,0,1|2,0,0]=4 4519 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Br 270302a_100000709789_100000750902 [0,1,0,0,0,1|2,0,0]=4 4520 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Br 34a_100000709789_100015184050 [0,1,0,0,0,1|2,0,0]=4 4521 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Br 7a_100000709789_100015184050 [0,1,0,0,0,1|2,0,0]=4 4522 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Cl 207a_100012017672_100000750902 [0,1,0,0,0,1|2,0,0]=4 4523 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Cl 270302a_100012017672_100000750902 [0,1,0,0,0,1|2,0,0]=4 4524 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Cl 34a_100012017672_100015184050 [0,1,0,0,0,1|2,0,0]=4 4525 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)F)Cl 7a_100012017672_100015184050 [0,1,0,0,0,1|2,0,0]=4 4526 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)I)Br 7a_200000690823_100015184050 [0,1,0,0,0,1|2,0,0]=4 4527 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)I)Cl 7a_100012344046_100015184050 [0,1,0,0,0,1|2,0,0]=4 4528 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)O)Br 34a_100010371313_100015184050 [0,1,0,0,0,1|2,0,0]=4 4529 B17R2.83661 Cc1cc(cc(c1NCc2nccs2)O)Br 7a_100010371313_100015184050 [0,1,0,0,0,1|2,0,0]=4 4530 B17R2.83661 Cc1cc(cc(c1NCc2ncon2)C)Br 34a_100000737279_100000233494 [0,1,0,0,0,1|1,0,1]=4 4531 B17R2.83661 Cc1cc(cc(c1NCc2ncon2)C)Cl 34a_100000692879_100000233494 [0,1,0,0,0,1|1,0,1]=4 4532 B17R2.83661 Cc1cc(cc(c1NCc2ncon2)C)F 34a_100011290887_100000233494 [0,1,0,0,0,1|1,0,1]=4 4533 B17R2.83661 Cc1cc(cc(c1NCc2ncon2)C)O 34a_100011934200_100000233494 [0,1,0,0,0,1|1,0,1]=4 4534 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Br 34a_100000737279_100000765167 [0,1,0,0,0,1|2,0,0]=4 4535 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Br 7a_100000737279_100000765167 [0,1,0,0,0,1|2,0,0]=4 4536 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Cl 34a_100000692879_100000765167 [0,1,0,0,0,1|2,0,0]=4 4537 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)Cl 7a_100000692879_100000765167 [0,1,0,0,0,1|2,0,0]=4 4538 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)F 34a_100011290887_100000765167 [0,1,0,0,0,1|2,0,0]=4 4539 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)F 7a_100011290887_100000765167 [0,1,0,0,0,1|2,0,0]=4 4540 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)I 7a_100011356821_100000765167 [0,1,0,0,0,1|2,0,0]=4 4541 B17R2.83661 Cc1cc(cc(c1NCc2nnn[nH]2)C)O 34a_100011934200_100000765167 [0,1,0,0,0,1|2,0,0]=4 4542 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 34a_100000187306_100000737910 [0,1,0,0,0,1|0,0,2]=4 4543 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Br 7a_100000187306_100000737910 [0,1,0,0,0,1|0,0,2]=4 4544 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 34a_100000211519_100000737910 [0,1,0,0,0,1|0,0,2]=4 4545 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)Cl 7a_100000211519_100000737910 [0,1,0,0,0,1|0,0,2]=4 4546 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 34a_100000081862_100000737910 [0,1,0,0,0,1|0,0,2]=4 4547 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)F 7a_100000081862_100000737910 [0,1,0,0,0,1|0,0,2]=4 4548 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 34a_100011216129_100000737910 [0,1,0,0,0,1|0,0,2]=4 4549 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)I 7a_100011216129_100000737910 [0,1,0,0,0,1|0,0,2]=4 4550 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 34a_100000703291_100000737910 [0,1,0,0,0,1|0,0,2]=4 4551 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 7a_100000703291_100000737910 [0,1,0,0,0,1|0,0,2]=4 4552 B17R2.83661 Cc1cc(cc(c1OCc2c[nH]cn2)C)Br 34a_100000187306_100000707719 [0,1,0,0,0,1|2,0,0]=4 4553 B17R2.83661 Cc1cc(cc(c1OCc2c[nH]cn2)C)Cl 34a_100000211519_100000707719 [0,1,0,0,0,1|2,0,0]=4 4554 B17R2.83661 Cc1cc(cc(c1OCc2c[nH]cn2)C)F 34a_100000081862_100000707719 [0,1,0,0,0,1|2,0,0]=4 4555 B17R2.83661 Cc1cc(cc(c1OCc2c[nH]cn2)C)I 34a_100011216129_100000707719 [0,1,0,0,0,1|2,0,0]=4 4556 B17R2.83661 Cc1cc(cc(c1OCc2c[nH]cn2)C)N 34a_100000703291_100000707719 [0,1,0,0,0,1|2,0,0]=4 4557 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)Br 34a_100000187306_100000728653 [0,1,0,0,0,1|2,0,0]=4 4558 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)Br 7a_100000187306_100000728653 [0,1,0,0,0,1|2,0,0]=4 4559 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)Cl 34a_100000211519_100000728653 [0,1,0,0,0,1|2,0,0]=4 4560 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)Cl 7a_100000211519_100000728653 [0,1,0,0,0,1|2,0,0]=4 4561 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)F 34a_100000081862_100000728653 [0,1,0,0,0,1|2,0,0]=4 4562 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)F 7a_100000081862_100000728653 [0,1,0,0,0,1|2,0,0]=4 4563 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)I 34a_100011216129_100000728653 [0,1,0,0,0,1|2,0,0]=4 4564 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)I 7a_100011216129_100000728653 [0,1,0,0,0,1|2,0,0]=4 4565 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)N 34a_100000703291_100000728653 [0,1,0,0,0,1|2,0,0]=4 4566 B17R2.83661 Cc1cc(cc(c1OCc2ccn[nH]2)C)N 7a_100000703291_100000728653 [0,1,0,0,0,1|2,0,0]=4 4567 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)Br 34a_100000187306_100000234950 [0,1,0,0,0,1|2,0,0]=4 4568 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)Br 7a_100000187306_100000234950 [0,1,0,0,0,1|2,0,0]=4 4569 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)Cl 34a_100000211519_100000234950 [0,1,0,0,0,1|2,0,0]=4 4570 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)Cl 7a_100000211519_100000234950 [0,1,0,0,0,1|2,0,0]=4 4571 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)F 34a_100000081862_100000234950 [0,1,0,0,0,1|2,0,0]=4 4572 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)F 7a_100000081862_100000234950 [0,1,0,0,0,1|2,0,0]=4 4573 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)I 34a_100011216129_100000234950 [0,1,0,0,0,1|2,0,0]=4 4574 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)I 7a_100011216129_100000234950 [0,1,0,0,0,1|2,0,0]=4 4575 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)N 34a_100000703291_100000234950 [0,1,0,0,0,1|2,0,0]=4 4576 B17R2.83661 Cc1cc(cc(c1OCc2ccon2)C)N 7a_100000703291_100000234950 [0,1,0,0,0,1|2,0,0]=4 4577 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)Br 34a_100000187306_100000205941 [0,1,0,0,0,1|2,0,0]=4 4578 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)Br 7a_100000187306_100000205941 [0,1,0,0,0,1|2,0,0]=4 4579 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)Cl 34a_100000211519_100000205941 [0,1,0,0,0,1|2,0,0]=4 4580 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)Cl 7a_100000211519_100000205941 [0,1,0,0,0,1|2,0,0]=4 4581 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)F 34a_100000081862_100000205941 [0,1,0,0,0,1|2,0,0]=4 4582 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)F 7a_100000081862_100000205941 [0,1,0,0,0,1|2,0,0]=4 4583 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)I 34a_100011216129_100000205941 [0,1,0,0,0,1|2,0,0]=4 4584 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)I 7a_100011216129_100000205941 [0,1,0,0,0,1|2,0,0]=4 4585 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)N 34a_100000703291_100000205941 [0,1,0,0,0,1|2,0,0]=4 4586 B17R2.83661 Cc1cc(cc(c1OCc2cscn2)C)N 7a_100000703291_100000205941 [0,1,0,0,0,1|2,0,0]=4 4587 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)Br 34a_100000186369_100016991755 [0,1,0,0,0,1|1,0,0]=3 4588 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)Br 7a_100000186369_100000753453 [0,1,0,0,0,1|1,0,0]=3 4589 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 34a_100012337756_100016991755 [0,1,0,0,0,1|1,0,0]=3 4590 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 7a_100012337756_100000753453 [0,1,0,0,0,1|1,0,0]=3 4591 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)I 34a_100010982682_100016991755 [0,1,0,0,0,1|1,0,0]=3 4592 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)I 7a_100010982682_100000753453 [0,1,0,0,0,1|1,0,0]=3 4593 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)N 34a_100010064301_100016991755 [0,1,0,0,0,1|1,0,0]=3 4594 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Br)N 7a_100010064301_100000753453 [0,1,0,0,0,1|1,0,0]=3 4595 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Br 34a_100000187306_100016991755 [0,1,0,0,0,1|0,0,0]=2 4596 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Br 7a_100000187306_100000753453 [0,1,0,0,0,1|0,0,0]=2 4597 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Cl 34a_100000211519_100016991755 [0,1,0,0,0,1|0,0,0]=2 4598 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)Cl 7a_100000211519_100000753453 [0,1,0,0,0,1|0,0,0]=2 4599 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)F 34a_100000081862_100016991755 [0,1,0,0,0,1|0,0,0]=2 4600 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)F 7a_100000081862_100000753453 [0,1,0,0,0,1|0,0,0]=2 4601 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)I 34a_100011216129_100016991755 [0,1,0,0,0,1|0,0,0]=2 4602 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)I 7a_100011216129_100000753453 [0,1,0,0,0,1|0,0,0]=2 4603 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)N 34a_100000703291_100016991755 [0,1,0,0,0,1|0,0,0]=2 4604 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)C)N 7a_100000703291_100000753453 [0,1,0,0,0,1|0,0,0]=2 4605 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 34a_100000211485_100016991755 [0,1,0,0,0,1|1,0,0]=3 4606 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 7a_100000211485_100000753453 [0,1,0,0,0,1|1,0,0]=3 4607 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)Cl 34a_100011218458_100016991755 [0,1,0,0,0,1|1,0,0]=3 4608 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)Cl 7a_100011218458_100000753453 [0,1,0,0,0,1|1,0,0]=3 4609 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)I 34a_200015900153_100016991755 [0,1,0,0,0,1|1,0,0]=3 4610 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)Cl)I 7a_200015900153_100000753453 [0,1,0,0,0,1|1,0,0]=3 4611 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)I)Cl 34a_100012343667_100016991755 [0,1,0,0,0,1|1,0,0]=3 4612 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)I)Cl 7a_100012343667_100000753453 [0,1,0,0,0,1|1,0,0]=3 4613 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)N)Br 34a_100011825904_100016991755 [0,1,0,0,0,1|1,0,0]=3 4614 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)N)Br 7a_100011825904_100000753453 [0,1,0,0,0,1|1,0,0]=3 4615 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)N)F 34a_100000130126_100016991755 [0,1,0,0,0,1|1,0,0]=3 4616 B17R2.83661 Cc1cc(cc(c1OCc2ncc[nH]2)N)F 7a_100000130126_100000753453 [0,1,0,0,0,1|1,0,0]=3 4617 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)Br 34a_100000186369_103436540062 [0,1,0,0,0,1|2,0,0]=4 4618 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)Br 7a_100000186369_103436540062 [0,1,0,0,0,1|2,0,0]=4 4619 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)Cl 34a_100012337756_103436540062 [0,1,0,0,0,1|2,0,0]=4 4620 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)Cl 7a_100012337756_103436540062 [0,1,0,0,0,1|2,0,0]=4 4621 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)I 34a_100010982682_103436540062 [0,1,0,0,0,1|2,0,0]=4 4622 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)I 7a_100010982682_103436540062 [0,1,0,0,0,1|2,0,0]=4 4623 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)N 34a_100010064301_103436540062 [0,1,0,0,0,1|2,0,0]=4 4624 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Br)N 7a_100010064301_103436540062 [0,1,0,0,0,1|2,0,0]=4 4625 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)Br 34a_100000187306_103436540062 [0,1,0,0,0,1|1,0,0]=3 4626 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)Br 7a_100000187306_103436540062 [0,1,0,0,0,1|1,0,0]=3 4627 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)Cl 34a_100000211519_103436540062 [0,1,0,0,0,1|1,0,0]=3 4628 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)Cl 7a_100000211519_103436540062 [0,1,0,0,0,1|1,0,0]=3 4629 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)F 34a_100000081862_103436540062 [0,1,0,0,0,1|1,0,0]=3 4630 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)F 7a_100000081862_103436540062 [0,1,0,0,0,1|1,0,0]=3 4631 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)I 34a_100011216129_103436540062 [0,1,0,0,0,1|1,0,0]=3 4632 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)I 7a_100011216129_103436540062 [0,1,0,0,0,1|1,0,0]=3 4633 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)N 34a_100000703291_103436540062 [0,1,0,0,0,1|1,0,0]=3 4634 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)C)N 7a_100000703291_103436540062 [0,1,0,0,0,1|1,0,0]=3 4635 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)Br 34a_100000211485_103436540062 [0,1,0,0,0,1|2,0,0]=4 4636 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)Br 7a_100000211485_103436540062 [0,1,0,0,0,1|2,0,0]=4 4637 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)Cl 34a_100011218458_103436540062 [0,1,0,0,0,1|2,0,0]=4 4638 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)Cl 7a_100011218458_103436540062 [0,1,0,0,0,1|2,0,0]=4 4639 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)I 34a_200015900153_103436540062 [0,1,0,0,0,1|2,0,0]=4 4640 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)Cl)I 7a_200015900153_103436540062 [0,1,0,0,0,1|2,0,0]=4 4641 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)I)Cl 34a_100012343667_103436540062 [0,1,0,0,0,1|2,0,0]=4 4642 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)I)Cl 7a_100012343667_103436540062 [0,1,0,0,0,1|2,0,0]=4 4643 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)N)Br 34a_100011825904_103436540062 [0,1,0,0,0,1|2,0,0]=4 4644 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)N)Br 7a_100011825904_103436540062 [0,1,0,0,0,1|2,0,0]=4 4645 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)N)F 34a_100000130126_103436540062 [0,1,0,0,0,1|2,0,0]=4 4646 B17R2.83661 Cc1cc(cc(c1OCc2ncco2)N)F 7a_100000130126_103436540062 [0,1,0,0,0,1|2,0,0]=4 4647 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)Br 34a_100000186369_100015184050 [0,1,0,0,0,1|2,0,0]=4 4648 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)Br 7a_100000186369_100015184050 [0,1,0,0,0,1|2,0,0]=4 4649 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)Cl 34a_100012337756_100015184050 [0,1,0,0,0,1|2,0,0]=4 4650 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)Cl 7a_100012337756_100015184050 [0,1,0,0,0,1|2,0,0]=4 4651 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)I 34a_100010982682_100015184050 [0,1,0,0,0,1|2,0,0]=4 4652 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)I 7a_100010982682_100015184050 [0,1,0,0,0,1|2,0,0]=4 4653 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)N 34a_100010064301_100015184050 [0,1,0,0,0,1|2,0,0]=4 4654 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Br)N 7a_100010064301_100015184050 [0,1,0,0,0,1|2,0,0]=4 4655 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)Br 34a_100000187306_100015184050 [0,1,0,0,0,1|1,0,0]=3 4656 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)Br 7a_100000187306_100015184050 [0,1,0,0,0,1|1,0,0]=3 4657 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)Cl 34a_100000211519_100015184050 [0,1,0,0,0,1|1,0,0]=3 4658 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)Cl 7a_100000211519_100015184050 [0,1,0,0,0,1|1,0,0]=3 4659 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)F 34a_100000081862_100015184050 [0,1,0,0,0,1|1,0,0]=3 4660 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)F 7a_100000081862_100015184050 [0,1,0,0,0,1|1,0,0]=3 4661 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)I 34a_100011216129_100015184050 [0,1,0,0,0,1|1,0,0]=3 4662 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)I 7a_100011216129_100015184050 [0,1,0,0,0,1|1,0,0]=3 4663 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)N 34a_100000703291_100015184050 [0,1,0,0,0,1|1,0,0]=3 4664 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)C)N 7a_100000703291_100015184050 [0,1,0,0,0,1|1,0,0]=3 4665 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)Br 34a_100000211485_100015184050 [0,1,0,0,0,1|2,0,0]=4 4666 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)Br 7a_100000211485_100015184050 [0,1,0,0,0,1|2,0,0]=4 4667 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)Cl 34a_100011218458_100015184050 [0,1,0,0,0,1|2,0,0]=4 4668 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)Cl 7a_100011218458_100015184050 [0,1,0,0,0,1|2,0,0]=4 4669 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)I 34a_200015900153_100015184050 [0,1,0,0,0,1|2,0,0]=4 4670 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)Cl)I 7a_200015900153_100015184050 [0,1,0,0,0,1|2,0,0]=4 4671 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)I)Cl 34a_100012343667_100015184050 [0,1,0,0,0,1|2,0,0]=4 4672 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)I)Cl 7a_100012343667_100015184050 [0,1,0,0,0,1|2,0,0]=4 4673 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)N)Br 34a_100011825904_100015184050 [0,1,0,0,0,1|2,0,0]=4 4674 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)N)Br 7a_100011825904_100015184050 [0,1,0,0,0,1|2,0,0]=4 4675 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)N)F 34a_100000130126_100015184050 [0,1,0,0,0,1|2,0,0]=4 4676 B17R2.83661 Cc1cc(cc(c1OCc2nccs2)N)F 7a_100000130126_100015184050 [0,1,0,0,0,1|2,0,0]=4 4677 B17R2.83661 Cc1cc(cc(c1OCc2ncon2)C)Br 34a_100000187306_100000233494 [0,1,0,0,0,1|1,0,1]=4 4678 B17R2.83661 Cc1cc(cc(c1OCc2ncon2)C)Cl 34a_100000211519_100000233494 [0,1,0,0,0,1|1,0,1]=4 4679 B17R2.83661 Cc1cc(cc(c1OCc2ncon2)C)F 34a_100000081862_100000233494 [0,1,0,0,0,1|1,0,1]=4 4680 B17R2.83661 Cc1cc(cc(c1OCc2ncon2)C)I 34a_100011216129_100000233494 [0,1,0,0,0,1|1,0,1]=4 4681 B17R2.83661 Cc1cc(cc(c1OCc2ncon2)C)N 34a_100000703291_100000233494 [0,1,0,0,0,1|1,0,1]=4 4682 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Br 34a_100000187306_100000765167 [0,1,0,0,0,1|2,0,0]=4 4683 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Br 7a_100000187306_100000765167 [0,1,0,0,0,1|2,0,0]=4 4684 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Cl 34a_100000211519_100000765167 [0,1,0,0,0,1|2,0,0]=4 4685 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)Cl 7a_100000211519_100000765167 [0,1,0,0,0,1|2,0,0]=4 4686 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)F 34a_100000081862_100000765167 [0,1,0,0,0,1|2,0,0]=4 4687 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)F 7a_100000081862_100000765167 [0,1,0,0,0,1|2,0,0]=4 4688 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)I 34a_100011216129_100000765167 [0,1,0,0,0,1|2,0,0]=4 4689 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)I 7a_100011216129_100000765167 [0,1,0,0,0,1|2,0,0]=4 4690 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)N 34a_100000703291_100000765167 [0,1,0,0,0,1|2,0,0]=4 4691 B17R2.83661 Cc1cc(cc(c1OCc2nnn[nH]2)C)N 7a_100000703291_100000765167 [0,1,0,0,0,1|2,0,0]=4 4692 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Br 62a_100000737910_100009814048 [0,1,0,0,0,1|0,0,2]=4 4693 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Br 62a_100009814048_100000737910 [0,1,0,0,0,1|0,0,2]=4 4694 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Cl 62a_100000737910_100010244930 [0,1,0,0,0,1|0,0,2]=4 4695 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)Cl 62a_100010244930_100000737910 [0,1,0,0,0,1|0,0,2]=4 4696 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)F 62a_100000737910_100012356666 [0,1,0,0,0,1|0,0,2]=4 4697 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)F 62a_100012356666_100000737910 [0,1,0,0,0,1|0,0,2]=4 4698 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000215964_100000737910 [0,1,0,0,0,1|0,0,2]=4 4699 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000737910_100000215964 [0,1,0,0,0,1|0,0,2]=4 4700 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)O 62a_100000243743_100000737910 [0,1,0,0,0,1|0,0,2]=4 4701 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)O 62a_100000737910_100000243743 [0,1,0,0,0,1|0,0,2]=4 4702 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)Br 62a_100000707719_100009814048 [0,1,0,0,0,1|2,0,0]=4 4703 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)Br 62a_100009814048_100000707719 [0,1,0,0,0,1|2,0,0]=4 4704 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)Cl 62a_100000707719_100010244930 [0,1,0,0,0,1|2,0,0]=4 4705 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)Cl 62a_100010244930_100000707719 [0,1,0,0,0,1|2,0,0]=4 4706 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)F 62a_100000707719_100012356666 [0,1,0,0,0,1|2,0,0]=4 4707 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)F 62a_100012356666_100000707719 [0,1,0,0,0,1|2,0,0]=4 4708 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)N 62a_100000215964_100000707719 [0,1,0,0,0,1|2,0,0]=4 4709 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)N 62a_100000707719_100000215964 [0,1,0,0,0,1|2,0,0]=4 4710 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)O 62a_100000243743_100000707719 [0,1,0,0,0,1|2,0,0]=4 4711 B17R2.83661 Cc1cc(cc(c1SCc2c[nH]cn2)C)O 62a_100000707719_100000243743 [0,1,0,0,0,1|2,0,0]=4 4712 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)Br 62a_100000728653_100009814048 [0,1,0,0,0,1|2,0,0]=4 4713 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)Br 62a_100009814048_100000728653 [0,1,0,0,0,1|2,0,0]=4 4714 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)Cl 62a_100000728653_100010244930 [0,1,0,0,0,1|2,0,0]=4 4715 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)Cl 62a_100010244930_100000728653 [0,1,0,0,0,1|2,0,0]=4 4716 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)F 62a_100000728653_100012356666 [0,1,0,0,0,1|2,0,0]=4 4717 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)F 62a_100012356666_100000728653 [0,1,0,0,0,1|2,0,0]=4 4718 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)N 62a_100000215964_100000728653 [0,1,0,0,0,1|2,0,0]=4 4719 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)N 62a_100000728653_100000215964 [0,1,0,0,0,1|2,0,0]=4 4720 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)O 62a_100000243743_100000728653 [0,1,0,0,0,1|2,0,0]=4 4721 B17R2.83661 Cc1cc(cc(c1SCc2ccn[nH]2)C)O 62a_100000728653_100000243743 [0,1,0,0,0,1|2,0,0]=4 4722 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)Br 62a_100000234950_100009814048 [0,1,0,0,0,1|2,0,0]=4 4723 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)Br 62a_100009814048_100000234950 [0,1,0,0,0,1|2,0,0]=4 4724 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)Cl 62a_100000234950_100010244930 [0,1,0,0,0,1|2,0,0]=4 4725 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)Cl 62a_100010244930_100000234950 [0,1,0,0,0,1|2,0,0]=4 4726 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)F 62a_100000234950_100012356666 [0,1,0,0,0,1|2,0,0]=4 4727 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)F 62a_100012356666_100000234950 [0,1,0,0,0,1|2,0,0]=4 4728 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)N 62a_100000215964_100000234950 [0,1,0,0,0,1|2,0,0]=4 4729 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)N 62a_100000234950_100000215964 [0,1,0,0,0,1|2,0,0]=4 4730 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)O 62a_100000234950_100000243743 [0,1,0,0,0,1|2,0,0]=4 4731 B17R2.83661 Cc1cc(cc(c1SCc2ccon2)C)O 62a_100000243743_100000234950 [0,1,0,0,0,1|2,0,0]=4 4732 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)Br 62a_100000205941_100009814048 [0,1,0,0,0,1|2,0,0]=4 4733 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)Br 62a_100009814048_100000205941 [0,1,0,0,0,1|2,0,0]=4 4734 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)Cl 62a_100000205941_100010244930 [0,1,0,0,0,1|2,0,0]=4 4735 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)Cl 62a_100010244930_100000205941 [0,1,0,0,0,1|2,0,0]=4 4736 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)F 62a_100000205941_100012356666 [0,1,0,0,0,1|2,0,0]=4 4737 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)F 62a_100012356666_100000205941 [0,1,0,0,0,1|2,0,0]=4 4738 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)N 62a_100000205941_100000215964 [0,1,0,0,0,1|2,0,0]=4 4739 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)N 62a_100000215964_100000205941 [0,1,0,0,0,1|2,0,0]=4 4740 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)O 62a_100000205941_100000243743 [0,1,0,0,0,1|2,0,0]=4 4741 B17R2.83661 Cc1cc(cc(c1SCc2cscn2)C)O 62a_100000243743_100000205941 [0,1,0,0,0,1|2,0,0]=4 4742 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Br)Br 62a_100016991755_200010208242 [0,1,0,0,0,1|1,0,0]=3 4743 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Br)Br 62a_200010208242_100016991755 [0,1,0,0,0,1|1,0,0]=3 4744 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Br)F 62a_100010208209_100016991755 [0,1,0,0,0,1|1,0,0]=3 4745 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Br)F 62a_100016991755_100010208209 [0,1,0,0,0,1|1,0,0]=3 4746 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Br 62a_100009814048_100016991755 [0,1,0,0,0,1|0,0,0]=2 4747 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Br 62a_100016991755_100009814048 [0,1,0,0,0,1|0,0,0]=2 4748 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Cl 62a_100010244930_100016991755 [0,1,0,0,0,1|0,0,0]=2 4749 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)Cl 62a_100016991755_100010244930 [0,1,0,0,0,1|0,0,0]=2 4750 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)F 62a_100012356666_100016991755 [0,1,0,0,0,1|0,0,0]=2 4751 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)F 62a_100016991755_100012356666 [0,1,0,0,0,1|0,0,0]=2 4752 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)N 62a_100000215964_100016991755 [0,1,0,0,0,1|0,0,0]=2 4753 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)N 62a_100016991755_100000215964 [0,1,0,0,0,1|0,0,0]=2 4754 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)O 62a_100000243743_100016991755 [0,1,0,0,0,1|0,0,0]=2 4755 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)C)O 62a_100016991755_100000243743 [0,1,0,0,0,1|0,0,0]=2 4756 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Cl)Cl 62a_100016991755_200000035511 [0,1,0,0,0,1|1,0,0]=3 4757 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Cl)Cl 62a_200000035511_100016991755 [0,1,0,0,0,1|1,0,0]=3 4758 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Cl)F 62a_100010079234_100016991755 [0,1,0,0,0,1|1,0,0]=3 4759 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)Cl)F 62a_100016991755_100010079234 [0,1,0,0,0,1|1,0,0]=3 4760 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100015332101_100016991755 [0,1,0,0,0,1|1,0,0]=3 4761 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100015332101 [0,1,0,0,0,1|1,0,0]=3 4762 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)F)N 62a_100010115923_100016991755 [0,1,0,0,0,1|1,0,0]=3 4763 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)F)N 62a_100016991755_100010115923 [0,1,0,0,0,1|1,0,0]=3 4764 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)N)Cl 62a_100000698757_100016991755 [0,1,0,0,0,1|1,0,0]=3 4765 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)N)Cl 62a_100016991755_100000698757 [0,1,0,0,0,1|1,0,0]=3 4766 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)O)Cl 62a_100010254216_100016991755 [0,1,0,0,0,1|1,0,0]=3 4767 B17R2.83661 Cc1cc(cc(c1SCc2ncc[nH]2)O)Cl 62a_100016991755_100010254216 [0,1,0,0,0,1|1,0,0]=3 4768 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Br)Br 62a_103436540062_200010208242 [0,1,0,0,0,1|2,0,0]=4 4769 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Br)Br 62a_200010208242_103436540062 [0,1,0,0,0,1|2,0,0]=4 4770 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Br)F 62a_100010208209_103436540062 [0,1,0,0,0,1|2,0,0]=4 4771 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Br)F 62a_103436540062_100010208209 [0,1,0,0,0,1|2,0,0]=4 4772 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)Br 62a_100009814048_103436540062 [0,1,0,0,0,1|1,0,0]=3 4773 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)Br 62a_103436540062_100009814048 [0,1,0,0,0,1|1,0,0]=3 4774 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)Cl 62a_100010244930_103436540062 [0,1,0,0,0,1|1,0,0]=3 4775 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)Cl 62a_103436540062_100010244930 [0,1,0,0,0,1|1,0,0]=3 4776 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)F 62a_100012356666_103436540062 [0,1,0,0,0,1|1,0,0]=3 4777 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)F 62a_103436540062_100012356666 [0,1,0,0,0,1|1,0,0]=3 4778 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)N 62a_100000215964_103436540062 [0,1,0,0,0,1|1,0,0]=3 4779 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)N 62a_103436540062_100000215964 [0,1,0,0,0,1|1,0,0]=3 4780 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)O 62a_100000243743_103436540062 [0,1,0,0,0,1|1,0,0]=3 4781 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)C)O 62a_103436540062_100000243743 [0,1,0,0,0,1|1,0,0]=3 4782 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Cl)Cl 62a_103436540062_200000035511 [0,1,0,0,0,1|2,0,0]=4 4783 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Cl)Cl 62a_200000035511_103436540062 [0,1,0,0,0,1|2,0,0]=4 4784 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Cl)F 62a_100010079234_103436540062 [0,1,0,0,0,1|2,0,0]=4 4785 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)Cl)F 62a_103436540062_100010079234 [0,1,0,0,0,1|2,0,0]=4 4786 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)F)F 62a_100015332101_103436540062 [0,1,0,0,0,1|2,0,0]=4 4787 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)F)F 62a_103436540062_100015332101 [0,1,0,0,0,1|2,0,0]=4 4788 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)F)N 62a_100010115923_103436540062 [0,1,0,0,0,1|2,0,0]=4 4789 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)F)N 62a_103436540062_100010115923 [0,1,0,0,0,1|2,0,0]=4 4790 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)N)Cl 62a_100000698757_103436540062 [0,1,0,0,0,1|2,0,0]=4 4791 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)N)Cl 62a_103436540062_100000698757 [0,1,0,0,0,1|2,0,0]=4 4792 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)O)Cl 62a_100010254216_103436540062 [0,1,0,0,0,1|2,0,0]=4 4793 B17R2.83661 Cc1cc(cc(c1SCc2ncco2)O)Cl 62a_103436540062_100010254216 [0,1,0,0,0,1|2,0,0]=4 4794 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Br)Br 62a_100015184050_200010208242 [0,1,0,0,0,1|2,0,0]=4 4795 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Br)Br 62a_200010208242_100015184050 [0,1,0,0,0,1|2,0,0]=4 4796 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Br)F 62a_100010208209_100015184050 [0,1,0,0,0,1|2,0,0]=4 4797 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Br)F 62a_100015184050_100010208209 [0,1,0,0,0,1|2,0,0]=4 4798 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)Br 62a_100009814048_100015184050 [0,1,0,0,0,1|1,0,0]=3 4799 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)Br 62a_100015184050_100009814048 [0,1,0,0,0,1|1,0,0]=3 4800 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)Cl 62a_100010244930_100015184050 [0,1,0,0,0,1|1,0,0]=3 4801 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)Cl 62a_100015184050_100010244930 [0,1,0,0,0,1|1,0,0]=3 4802 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)F 62a_100012356666_100015184050 [0,1,0,0,0,1|1,0,0]=3 4803 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)F 62a_100015184050_100012356666 [0,1,0,0,0,1|1,0,0]=3 4804 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)N 62a_100000215964_100015184050 [0,1,0,0,0,1|1,0,0]=3 4805 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)N 62a_100015184050_100000215964 [0,1,0,0,0,1|1,0,0]=3 4806 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)O 62a_100000243743_100015184050 [0,1,0,0,0,1|1,0,0]=3 4807 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)C)O 62a_100015184050_100000243743 [0,1,0,0,0,1|1,0,0]=3 4808 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Cl)Cl 62a_100015184050_200000035511 [0,1,0,0,0,1|2,0,0]=4 4809 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Cl)Cl 62a_200000035511_100015184050 [0,1,0,0,0,1|2,0,0]=4 4810 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Cl)F 62a_100010079234_100015184050 [0,1,0,0,0,1|2,0,0]=4 4811 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)Cl)F 62a_100015184050_100010079234 [0,1,0,0,0,1|2,0,0]=4 4812 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)F)F 62a_100015184050_100015332101 [0,1,0,0,0,1|2,0,0]=4 4813 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)F)F 62a_100015332101_100015184050 [0,1,0,0,0,1|2,0,0]=4 4814 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)F)N 62a_100010115923_100015184050 [0,1,0,0,0,1|2,0,0]=4 4815 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)F)N 62a_100015184050_100010115923 [0,1,0,0,0,1|2,0,0]=4 4816 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)N)Cl 62a_100000698757_100015184050 [0,1,0,0,0,1|2,0,0]=4 4817 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)N)Cl 62a_100015184050_100000698757 [0,1,0,0,0,1|2,0,0]=4 4818 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)O)Cl 62a_100010254216_100015184050 [0,1,0,0,0,1|2,0,0]=4 4819 B17R2.83661 Cc1cc(cc(c1SCc2nccs2)O)Cl 62a_100015184050_100010254216 [0,1,0,0,0,1|2,0,0]=4 4820 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)Br 62a_100000233494_100009814048 [0,1,0,0,0,1|1,0,1]=4 4821 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)Br 62a_100009814048_100000233494 [0,1,0,0,0,1|1,0,1]=4 4822 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)Cl 62a_100000233494_100010244930 [0,1,0,0,0,1|1,0,1]=4 4823 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)Cl 62a_100010244930_100000233494 [0,1,0,0,0,1|1,0,1]=4 4824 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)F 62a_100000233494_100012356666 [0,1,0,0,0,1|1,0,1]=4 4825 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)F 62a_100012356666_100000233494 [0,1,0,0,0,1|1,0,1]=4 4826 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)N 62a_100000215964_100000233494 [0,1,0,0,0,1|1,0,1]=4 4827 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)N 62a_100000233494_100000215964 [0,1,0,0,0,1|1,0,1]=4 4828 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)O 62a_100000233494_100000243743 [0,1,0,0,0,1|1,0,1]=4 4829 B17R2.83661 Cc1cc(cc(c1SCc2ncon2)C)O 62a_100000243743_100000233494 [0,1,0,0,0,1|1,0,1]=4 4830 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Br 62a_100000765167_100009814048 [0,1,0,0,0,1|2,0,0]=4 4831 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Br 62a_100009814048_100000765167 [0,1,0,0,0,1|2,0,0]=4 4832 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Cl 62a_100000765167_100010244930 [0,1,0,0,0,1|2,0,0]=4 4833 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)Cl 62a_100010244930_100000765167 [0,1,0,0,0,1|2,0,0]=4 4834 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)F 62a_100000765167_100012356666 [0,1,0,0,0,1|2,0,0]=4 4835 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)F 62a_100012356666_100000765167 [0,1,0,0,0,1|2,0,0]=4 4836 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)N 62a_100000215964_100000765167 [0,1,0,0,0,1|2,0,0]=4 4837 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)N 62a_100000765167_100000215964 [0,1,0,0,0,1|2,0,0]=4 4838 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)O 62a_100000243743_100000765167 [0,1,0,0,0,1|2,0,0]=4 4839 B17R2.83661 Cc1cc(cc(c1SCc2nnn[nH]2)C)O 62a_100000765167_100000243743 [0,1,0,0,0,1|2,0,0]=4 4840 B17R2.83661 Cc1cc(nc(c1SCc2ncc[nH]2)C)N 62a_100000699364_100016991755 [0,1,0,0,0,1|1,0,0]=3 4841 B17R2.83661 Cc1cc(nc(c1SCc2ncc[nH]2)C)N 62a_100016991755_100000699364 [0,1,0,0,0,1|1,0,0]=3 4842 B17R2.83661 Cc1cc(nc(c1SCc2ncco2)C)N 62a_100000699364_103436540062 [0,1,0,0,0,1|2,0,0]=4 4843 B17R2.83661 Cc1cc(nc(c1SCc2ncco2)C)N 62a_103436540062_100000699364 [0,1,0,0,0,1|2,0,0]=4 4844 B17R2.83661 Cc1cc(nc(c1SCc2nccs2)C)N 62a_100000699364_100015184050 [0,1,0,0,0,1|2,0,0]=4 4845 B17R2.83661 Cc1cc(nc(c1SCc2nccs2)C)N 62a_100015184050_100000699364 [0,1,0,0,0,1|2,0,0]=4 4846 B17R2.83661 Cc1nc(cc(c1OCc2ncc[nH]2)Br)Br 34a_200010233669_100016991755 [0,1,0,0,0,1|2,0,0]=4 4847 B17R2.83661 Cc1nc(cc(c1OCc2ncc[nH]2)Br)Br 7a_200010233669_100000753453 [0,1,0,0,0,1|2,0,0]=4 4848 B17R2.83661 Cc1nc(nc(c1SCc2ncc[nH]2)C)N 62a_100009814254_100016991755 [0,1,0,0,0,1|2,0,0]=4 4849 B17R2.83661 Cc1nc(nc(c1SCc2ncc[nH]2)C)N 62a_100016991755_100009814254 [0,1,0,0,0,1|2,0,0]=4 4850 B17R2.83661 Clc1cc(c(c(c1)Br)NCc2ncc[nH]2)Br 34a_100000724118_100016991755 [0,1,0,0,0,1|2,0,0]=4 4851 B17R2.83661 Clc1cc(c(c(c1)Br)NCc2ncc[nH]2)Cl 34a_100011218119_100016991755 [0,1,0,0,0,1|2,0,0]=4 4852 B17R2.83661 Clc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 34a_100012337757_100016991755 [0,1,0,0,0,1|2,0,0]=4 4853 B17R2.83661 Clc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 7a_100012337757_100000753453 [0,1,0,0,0,1|2,0,0]=4 4854 B17R2.83661 Clc1cc(c(c(c1)Br)OCc2ncc[nH]2)Cl 34a_200000243811_100016991755 [0,1,0,0,0,1|2,0,0]=4 4855 B17R2.83661 Clc1cc(c(c(c1)Br)OCc2ncc[nH]2)Cl 7a_200000243811_100000753453 [0,1,0,0,0,1|2,0,0]=4 4856 B17R2.83661 Clc1cc(c(c(c1)Br)SCc2ncc[nH]2)Cl 62a_100016991755_200009992027 [0,1,0,0,0,1|2,0,0]=4 4857 B17R2.83661 Clc1cc(c(c(c1)Br)SCc2ncc[nH]2)Cl 62a_200009992027_100016991755 [0,1,0,0,0,1|2,0,0]=4 4858 B17R2.83661 Clc1cc(c(c(c1)Cl)CSc2ncc[nH]2)Cl 62a_100012339996_100025796157 [0,1,0,0,0,1|2,0,0]=4 4859 B17R2.83661 Clc1cc(c(c(c1)Cl)CSc2ncc[nH]2)Cl 62a_100025796157_100012339996 [0,1,0,0,0,1|2,0,0]=4 4860 B17R2.83661 Clc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000210601_100016991755 [0,1,0,0,0,1|2,0,0]=4 4861 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000210218_100016991755 [0,1,0,0,0,1|2,0,0]=4 4862 B17R2.83661 Clc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000210218_100000753453 [0,1,0,0,0,1|2,0,0]=4 4863 B17R2.83661 Clc1cc(c(c(c1)Cl)SCc2ncc[nH]2)Cl 62a_100016991755_200011216440 [0,1,0,0,0,1|2,0,0]=4 4864 B17R2.83661 Clc1cc(c(c(c1)Cl)SCc2ncc[nH]2)Cl 62a_200011216440_100016991755 [0,1,0,0,0,1|2,0,0]=4 4865 B17R2.83661 Clc1cc(c(c(c1)I)OCc2ncc[nH]2)Cl 34a_200012339341_100016991755 [0,1,0,0,0,1|2,0,0]=4 4866 B17R2.83661 Clc1cc(c(c(c1)I)OCc2ncc[nH]2)Cl 7a_200012339341_100000753453 [0,1,0,0,0,1|2,0,0]=4 4867 B17R2.83661 Clc1cc(c(c(c1)I)OCc2ncc[nH]2)I 7a_100000730656_100000753453 [0,1,0,0,0,1|2,0,0]=4 4868 B17R2.83661 Clc1cc(cc(c1NCc2ncc[nH]2)Br)Br 34a_100011216035_100016991755 [0,1,0,0,0,1|2,0,0]=4 4869 B17R2.83661 Clc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 34a_100000211608_100016991755 [0,1,0,0,0,1|2,0,0]=4 4870 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Br)Br 34a_100012337755_100016991755 [0,1,0,0,0,1|2,0,0]=4 4871 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Br)Br 7a_100012337755_100000753453 [0,1,0,0,0,1|2,0,0]=4 4872 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 34a_100000753780_100016991755 [0,1,0,0,0,1|2,0,0]=4 4873 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 7a_100000753780_100000753453 [0,1,0,0,0,1|2,0,0]=4 4874 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)Cl)I 7a_100012339652_100000753453 [0,1,0,0,0,1|2,0,0]=4 4875 B17R2.83661 Clc1cc(cc(c1OCc2ncc[nH]2)I)I 7a_100009997439_100000753453 [0,1,0,0,0,1|2,0,0]=4 4876 B17R2.83661 Clc1cc(cc(c1SCc2ncc[nH]2)Cl)Br 62a_100016991755_200011263224 [0,1,0,0,0,1|2,0,0]=4 4877 B17R2.83661 Clc1cc(cc(c1SCc2ncc[nH]2)Cl)Br 62a_200011263224_100016991755 [0,1,0,0,0,1|2,0,0]=4 4878 B17R2.83661 Fc1cc(c(c(c1)Br)CSc2ncc[nH]2)F 62a_100015786123_100025796157 [0,1,0,0,0,1|2,0,0]=4 4879 B17R2.83661 Fc1cc(c(c(c1)Br)CSc2ncc[nH]2)F 62a_100025796157_100015786123 [0,1,0,0,0,1|2,0,0]=4 4880 B17R2.83661 Fc1cc(c(c(c1)Br)NCc2ncc[nH]2)Br 34a_100000211720_100016991755 [0,1,0,0,0,1|2,0,0]=4 4881 B17R2.83661 Fc1cc(c(c(c1)Br)NCc2ncc[nH]2)Cl 34a_100000694656_100016991755 [0,1,0,0,0,1|2,0,0]=4 4882 B17R2.83661 Fc1cc(c(c(c1)Br)NCc2ncc[nH]2)F 34a_100000211602_100016991755 [0,1,0,0,0,1|2,0,0]=4 4883 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 34a_100011215434_100016991755 [0,1,0,0,0,1|2,0,0]=4 4884 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 7a_100011215434_100000753453 [0,1,0,0,0,1|2,0,0]=4 4885 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)Cl 34a_100011830411_100016991755 [0,1,0,0,0,1|2,0,0]=4 4886 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)Cl 7a_100011830411_100000753453 [0,1,0,0,0,1|2,0,0]=4 4887 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)F 34a_100000688693_100016991755 [0,1,0,0,0,1|2,0,0]=4 4888 B17R2.83661 Fc1cc(c(c(c1)Br)OCc2ncc[nH]2)F 7a_100000688693_100000753453 [0,1,0,0,0,1|2,0,0]=4 4889 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_100009813983_100016991755 [0,1,0,0,0,1|2,0,0]=4 4890 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)Br 62a_100016991755_100009813983 [0,1,0,0,0,1|2,0,0]=4 4891 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)Cl 62a_100012356682_100016991755 [0,1,0,0,0,1|2,0,0]=4 4892 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)Cl 62a_100016991755_100012356682 [0,1,0,0,0,1|2,0,0]=4 4893 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)F 62a_100000720994_100016991755 [0,1,0,0,0,1|2,0,0]=4 4894 B17R2.83661 Fc1cc(c(c(c1)Br)SCc2ncc[nH]2)F 62a_100016991755_100000720994 [0,1,0,0,0,1|2,0,0]=4 4895 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000688861_100016991755 [0,1,0,0,0,1|2,0,0]=4 4896 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2ncc[nH]2)F 34a_100000688773_100016991755 [0,1,0,0,0,1|2,0,0]=4 4897 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100011217724_100016991755 [0,1,0,0,0,1|2,0,0]=4 4898 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100011217724_100000753453 [0,1,0,0,0,1|2,0,0]=4 4899 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)F 34a_100011935252_100016991755 [0,1,0,0,0,1|2,0,0]=4 4900 B17R2.83661 Fc1cc(c(c(c1)Cl)OCc2ncc[nH]2)F 7a_100011935252_100000753453 [0,1,0,0,0,1|2,0,0]=4 4901 B17R2.83661 Fc1cc(c(c(c1)Cl)SCc2ncc[nH]2)Cl 62a_100010175091_100016991755 [0,1,0,0,0,1|2,0,0]=4 4902 B17R2.83661 Fc1cc(c(c(c1)Cl)SCc2ncc[nH]2)Cl 62a_100016991755_100010175091 [0,1,0,0,0,1|2,0,0]=4 4903 B17R2.83661 Fc1cc(c(c(c1)F)CSc2ncc[nH]2)F 62a_100011216150_100025796157 [0,1,0,0,0,1|2,0,0]=4 4904 B17R2.83661 Fc1cc(c(c(c1)F)CSc2ncc[nH]2)F 62a_100025796157_100011216150 [0,1,0,0,0,1|2,0,0]=4 4905 B17R2.83661 Fc1cc(c(c(c1)F)NCc2ncc[nH]2)F 207a_100000760425_100000743867 [0,1,0,0,0,1|2,0,0]=4 4906 B17R2.83661 Fc1cc(c(c(c1)F)NCc2ncc[nH]2)F 34a_100000760425_100016991755 [0,1,0,0,0,1|2,0,0]=4 4907 B17R2.83661 Fc1cc(c(c(c1)F)OCc2ncc[nH]2)F 34a_100011218396_100016991755 [0,1,0,0,0,1|2,0,0]=4 4908 B17R2.83661 Fc1cc(c(c(c1)F)OCc2ncc[nH]2)F 7a_100011218396_100000753453 [0,1,0,0,0,1|2,0,0]=4 4909 B17R2.83661 Fc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100000243675_100016991755 [0,1,0,0,0,1|2,0,0]=4 4910 B17R2.83661 Fc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100016991755_100000243675 [0,1,0,0,0,1|2,0,0]=4 4911 B17R2.83661 Fc1cc(c(c(c1)I)NCc2ncc[nH]2)F 34a_100102885649_100016991755 [0,1,0,0,0,1|2,0,0]=4 4912 B17R2.83661 Fc1cc(c(c(c1)I)OCc2ncc[nH]2)Br 34a_200013085147_100016991755 [0,1,0,0,0,1|2,0,0]=4 4913 B17R2.83661 Fc1cc(c(c(c1)I)OCc2ncc[nH]2)Br 7a_200013085147_100000753453 [0,1,0,0,0,1|2,0,0]=4 4914 B17R2.83661 Fc1cc(c(c(c1)I)OCc2ncc[nH]2)F 34a_200013204775_100016991755 [0,1,0,0,0,1|2,0,0]=4 4915 B17R2.83661 Fc1cc(c(c(c1)I)OCc2ncc[nH]2)F 7a_200013204775_100000753453 [0,1,0,0,0,1|2,0,0]=4 4916 B17R2.83661 Fc1cc(cc(c1CSc2ncc[nH]2)F)Br 62a_100012355225_100025796157 [0,1,0,0,0,1|2,0,0]=4 4917 B17R2.83661 Fc1cc(cc(c1CSc2ncc[nH]2)F)Br 62a_100025796157_100012355225 [0,1,0,0,0,1|2,0,0]=4 4918 B17R2.83661 Fc1cc(cc(c1CSc2ncc[nH]2)F)Cl 62a_100009813723_100025796157 [0,1,0,0,0,1|2,0,0]=4 4919 B17R2.83661 Fc1cc(cc(c1CSc2ncc[nH]2)F)Cl 62a_100025796157_100009813723 [0,1,0,0,0,1|2,0,0]=4 4920 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Br)Br 34a_100011215609_100016991755 [0,1,0,0,0,1|2,0,0]=4 4921 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Br)Cl 34a_100011217455_100016991755 [0,1,0,0,0,1|2,0,0]=4 4922 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 34a_100000725741_100016991755 [0,1,0,0,0,1|2,0,0]=4 4923 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 7a_100000725741_100000753453 [0,1,0,0,0,1|2,0,0]=4 4924 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Cl)Cl 34a_100000688862_100016991755 [0,1,0,0,0,1|2,0,0]=4 4925 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)Cl)Cl 7a_100000688862_100000753453 [0,1,0,0,0,1|2,0,0]=4 4926 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Br 207a_100000758902_100000743867 [0,1,0,0,0,1|2,0,0]=4 4927 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Br 34a_100000758902_100016991755 [0,1,0,0,0,1|2,0,0]=4 4928 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Br 7a_100000758902_100000753453 [0,1,0,0,0,1|2,0,0]=4 4929 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Cl 207a_100000695146_100000743867 [0,1,0,0,0,1|2,0,0]=4 4930 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Cl 34a_100000695146_100016991755 [0,1,0,0,0,1|2,0,0]=4 4931 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)Cl 7a_100000695146_100000753453 [0,1,0,0,0,1|2,0,0]=4 4932 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)I 207a_100012353610_100000743867 [0,1,0,0,0,1|2,0,0]=4 4933 B17R2.83661 Fc1cc(cc(c1NCc2ncc[nH]2)F)I 34a_100012353610_100016991755 [0,1,0,0,0,1|2,0,0]=4 4934 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Br)Br 34a_100011216695_100016991755 [0,1,0,0,0,1|2,0,0]=4 4935 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Br)Br 7a_100011216695_100000753453 [0,1,0,0,0,1|2,0,0]=4 4936 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 34a_100011830412_100016991755 [0,1,0,0,0,1|2,0,0]=4 4937 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 7a_100011830412_100000753453 [0,1,0,0,0,1|2,0,0]=4 4938 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 34a_100011216646_100016991755 [0,1,0,0,0,1|2,0,0]=4 4939 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 7a_100011216646_100000753453 [0,1,0,0,0,1|2,0,0]=4 4940 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)Br 34a_100011216917_100016991755 [0,1,0,0,0,1|2,0,0]=4 4941 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)Br 7a_100011216917_100000753453 [0,1,0,0,0,1|2,0,0]=4 4942 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)Cl 34a_100011830429_100016991755 [0,1,0,0,0,1|2,0,0]=4 4943 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)Cl 7a_100011830429_100000753453 [0,1,0,0,0,1|2,0,0]=4 4944 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)I 34a_200011830255_100016991755 [0,1,0,0,0,1|2,0,0]=4 4945 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)F)I 7a_200011830255_100000753453 [0,1,0,0,0,1|2,0,0]=4 4946 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)I)Br 34a_100013354677_100016991755 [0,1,0,0,0,1|2,0,0]=4 4947 B17R2.83661 Fc1cc(cc(c1OCc2ncc[nH]2)I)Br 7a_100013354677_100000753453 [0,1,0,0,0,1|2,0,0]=4 4948 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Br)Br 62a_100000708766_100016991755 [0,1,0,0,0,1|2,0,0]=4 4949 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Br)Br 62a_100016991755_100000708766 [0,1,0,0,0,1|2,0,0]=4 4950 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Br)Cl 62a_100009993495_100016991755 [0,1,0,0,0,1|2,0,0]=4 4951 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Br)Cl 62a_100016991755_100009993495 [0,1,0,0,0,1|2,0,0]=4 4952 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Cl)Br 62a_100010212234_100016991755 [0,1,0,0,0,1|2,0,0]=4 4953 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)Cl)Br 62a_100016991755_100010212234 [0,1,0,0,0,1|2,0,0]=4 4954 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)F)Br 62a_100009813614_100016991755 [0,1,0,0,0,1|2,0,0]=4 4955 B17R2.83661 Fc1cc(cc(c1SCc2ncc[nH]2)F)Br 62a_100016991755_100009813614 [0,1,0,0,0,1|2,0,0]=4 4956 B17R2.83661 Ic1cc(c(c(c1)I)OCc2ncc[nH]2)I 7a_100000210296_100000753453 [0,1,0,0,0,1|2,0,0]=4 4957 B17R2.83661 Nc1cc(c(c(c1)Br)OCc2ncc[nH]2)Br 34a_200000186426_100016991755 [0,1,0,0,0,1|2,0,0]=4 4958 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000695418_100016991755 [0,1,0,0,0,1|2,0,0]=4 4959 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000695418_100000753453 [0,1,0,0,0,1|2,0,0]=4 4960 B17R2.83661 Nc1cc(c(c(c1)Cl)SCc2ncc[nH]2)F 62a_100014833993_100016991755 [0,1,0,0,0,1|2,0,0]=4 4961 B17R2.83661 Nc1cc(c(c(c1)Cl)SCc2ncc[nH]2)F 62a_100016991755_100014833993 [0,1,0,0,0,1|2,0,0]=4 4962 B17R2.83661 Nc1cc(c(c(c1)F)OCc2ncc[nH]2)F 34a_100016987357_100016991755 [0,1,0,0,0,1|2,0,0]=4 4963 B17R2.83661 Nc1cc(c(c(c1)F)OCc2ncc[nH]2)F 7a_100016987357_100000753453 [0,1,0,0,0,1|2,0,0]=4 4964 B17R2.83661 Nc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100000057532_100016991755 [0,1,0,0,0,1|2,0,0]=4 4965 B17R2.83661 Nc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100016991755_100000057532 [0,1,0,0,0,1|2,0,0]=4 4966 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)Br 34a_100010781877_100016991755 [0,1,0,0,0,1|2,0,0]=4 4967 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)Br 7a_100010781877_100000753453 [0,1,0,0,0,1|2,0,0]=4 4968 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 34a_106741647128_100016991755 [0,1,0,0,0,1|2,0,0]=4 4969 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)Cl 7a_106741647128_100000753453 [0,1,0,0,0,1|2,0,0]=4 4970 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)F 34a_200011217456_100016991755 [0,1,0,0,0,1|2,0,0]=4 4971 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Br)F 7a_200011217456_100000753453 [0,1,0,0,0,1|2,0,0]=4 4972 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 34a_100000694353_100016991755 [0,1,0,0,0,1|2,0,0]=4 4973 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Cl)Br 7a_100000694353_100000753453 [0,1,0,0,0,1|2,0,0]=4 4974 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Cl)Cl 34a_100000695819_100016991755 [0,1,0,0,0,1|2,0,0]=4 4975 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)Cl)Cl 7a_100000695819_100000753453 [0,1,0,0,0,1|2,0,0]=4 4976 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)F)Br 34a_100011217383_100016991755 [0,1,0,0,0,1|2,0,0]=4 4977 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)F)Br 7a_100011217383_100000753453 [0,1,0,0,0,1|2,0,0]=4 4978 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)F)F 34a_100015205836_100016991755 [0,1,0,0,0,1|2,0,0]=4 4979 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)F)F 7a_100015205836_100000753453 [0,1,0,0,0,1|2,0,0]=4 4980 B17R2.83661 Nc1cc(cc(c1OCc2ncc[nH]2)I)Br 7a_100016071998_100000753453 [0,1,0,0,0,1|2,0,0]=4 4981 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)Br)Cl 62a_100011155807_100016991755 [0,1,0,0,0,1|2,0,0]=4 4982 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)Br)Cl 62a_100016991755_100011155807 [0,1,0,0,0,1|2,0,0]=4 4983 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)Br)F 62a_100016991755_200010740111 [0,1,0,0,0,1|2,0,0]=4 4984 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)Br)F 62a_200010740111_100016991755 [0,1,0,0,0,1|2,0,0]=4 4985 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)F)Cl 62a_100016991755_200021297760 [0,1,0,0,0,1|2,0,0]=4 4986 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)F)Cl 62a_200021297760_100016991755 [0,1,0,0,0,1|2,0,0]=4 4987 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100000716482_100016991755 [0,1,0,0,0,1|2,0,0]=4 4988 B17R2.83661 Nc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100000716482 [0,1,0,0,0,1|2,0,0]=4 4989 B17R2.83661 Oc1cc(c(c(c1)F)NCc2ncc[nH]2)F 34a_100000036573_100016991755 [0,1,0,0,0,1|2,0,0]=4 4990 B17R2.83661 Oc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100009816007_100016991755 [0,1,0,0,0,1|2,0,0]=4 4991 B17R2.83661 Oc1cc(c(c(c1)F)SCc2ncc[nH]2)F 62a_100016991755_100009816007 [0,1,0,0,0,1|2,0,0]=4 4992 B17R2.83661 Oc1cc(c(c(c1)O)SCc2ncc[nH]2)O 62a_100016991755_200010341185 [0,1,0,0,0,1|2,0,0]=4 4993 B17R2.83661 Oc1cc(cc(c1NCc2ncc[nH]2)F)Br 34a_100015475841_100016991755 [0,1,0,0,0,1|2,0,0]=4 4994 B17R2.83661 Oc1cc(cc(c1NCc2ncc[nH]2)F)Cl 34a_100010883250_100016991755 [0,1,0,0,0,1|2,0,0]=4 4995 B17R2.83661 Oc1cc(cc(c1NCc2ncc[nH]2)F)Cl 7a_100010883250_100000753453 [0,1,0,0,0,1|2,0,0]=4 4996 B17R2.83661 Oc1cc(cc(c1NCc2ncc[nH]2)F)F 34a_100011217947_100016991755 [0,1,0,0,0,1|2,0,0]=4 4997 B17R2.83661 Oc1cc(cc(c1NCc2ncc[nH]2)F)F 7a_100011217947_100000753453 [0,1,0,0,0,1|2,0,0]=4 4998 B17R2.83661 Oc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100009815984_100016991755 [0,1,0,0,0,1|2,0,0]=4 4999 B17R2.83661 Oc1cc(cc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100009815984 [0,1,0,0,0,1|2,0,0]=4 5000 B17R2.146246 Cc1c[nH]c(n1)CNc2c(cccc2C)C 207a_100000185769_100000082322 [0,1,0,0,0,1|0,0,0]=2 5001 B17R2.146246 Cc1c[nH]c(n1)CNc2c(cccc2F)C 207a_100000766463_100000082322 [0,1,0,0,0,1|1,0,0]=3 5002 B17R2.146246 Cc1c[nH]c(n1)CNc2c(cccc2F)F 207a_100000210704_100000082322 [0,1,0,0,0,1|2,0,0]=4 5003 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)C 62a_100010146847_100161115468 [0,1,0,0,0,1|1,0,0]=3 5004 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)C 62a_100161115468_100010146847 [0,1,0,0,0,1|1,0,0]=3 5005 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)Cl 62a_100010138402_100161115468 [0,1,0,0,0,1|2,0,0]=4 5006 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)Cl 62a_100161115468_100010138402 [0,1,0,0,0,1|2,0,0]=4 5007 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)F 62a_100012145669_100161115468 [0,1,0,0,0,1|2,0,0]=4 5008 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Br)F 62a_100161115468_100012145669 [0,1,0,0,0,1|2,0,0]=4 5009 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2C)C 62a_100000758300_100161115468 [0,1,0,0,0,1|0,0,0]=2 5010 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2C)C 62a_100161115468_100000758300 [0,1,0,0,0,1|0,0,0]=2 5011 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Cl)Cl 62a_100000187851_100161115468 [0,1,0,0,0,1|2,0,0]=4 5012 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Cl)Cl 62a_100161115468_100000187851 [0,1,0,0,0,1|2,0,0]=4 5013 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Cl)F 62a_100000187852_100161115468 [0,1,0,0,0,1|2,0,0]=4 5014 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2Cl)F 62a_100161115468_100000187852 [0,1,0,0,0,1|2,0,0]=4 5015 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2F)C 62a_100009814554_100161115468 [0,1,0,0,0,1|1,0,0]=3 5016 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2F)C 62a_100161115468_100009814554 [0,1,0,0,0,1|1,0,0]=3 5017 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2F)F 62a_100000709179_100161115468 [0,1,0,0,0,1|2,0,0]=4 5018 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2F)F 62a_100161115468_100000698325 [0,1,0,0,0,1|2,0,0]=4 5019 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)Br 62a_100010146611_100161115468 [0,1,0,0,0,1|2,0,0]=4 5020 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)Br 62a_100161115468_100010146611 [0,1,0,0,0,1|2,0,0]=4 5021 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)C 62a_100010150146_100161115468 [0,1,0,0,0,1|1,0,0]=3 5022 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)C 62a_100161115468_100010150146 [0,1,0,0,0,1|1,0,0]=3 5023 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)F 62a_100010149602_100161115468 [0,1,0,0,0,1|2,0,0]=4 5024 B17R2.146246 Cc1c[nH]c(n1)SCc2c(cccc2I)F 62a_100161115468_100010149602 [0,1,0,0,0,1|2,0,0]=4 5025 B17R2.146246 Cc1cc([nH]n1)CNc2c(cccc2C)C 207a_100000185769_100000028150 [0,1,0,0,0,1|2,0,0]=4 5026 B17R2.146246 Cc1cc(n[nH]1)SCc2c(cccc2C)C 62a_100000758300_100009819999 [0,1,0,0,0,1|2,0,0]=4 5027 B17R2.146246 Cc1cc(n[nH]1)SCc2c(cccc2C)C 62a_100009819999_100000758300 [0,1,0,0,0,1|2,0,0]=4 5028 B17R2.146246 Cc1cc(no1)CNc2c(cccc2C)C 207a_100000185769_100011217994 [0,1,0,0,0,1|2,0,0]=4 5029 B17R2.146246 Cc1cc(no1)CNc2c(cccc2C)C 34a_100000185769_100000199038 [0,1,0,0,0,1|2,0,0]=4 5030 B17R2.146246 Cc1cc(no1)COc2c(cccc2C)C 34a_100000210341_100000199038 [0,1,0,0,0,1|2,0,0]=4 5031 B17R2.146246 Cc1cc(no1)COc2c(cccc2C)C 7a_100000210341_100000199038 [0,1,0,0,0,1|2,0,0]=4 5032 B17R2.146246 Cc1cc(no1)CSc2c(cccc2C)C 62a_100000033847_100000199038 [0,1,0,0,0,1|2,0,0]=4 5033 B17R2.146246 Cc1cc(no1)CSc2c(cccc2C)C 62a_100000199038_100000033847 [0,1,0,0,0,1|2,0,0]=4 5034 B17R2.146246 Cc1cc(no1)SCc2c(cccc2C)C 62a_100000716708_100000758300 [0,1,0,0,0,1|2,0,0]=4 5035 B17R2.146246 Cc1cc(no1)SCc2c(cccc2C)C 62a_100000758300_100000716708 [0,1,0,0,0,1|2,0,0]=4 5036 B17R2.146246 Cc1cc(ns1)CNc2c(cccc2C)C 207a_100000185769_200000100279 [0,1,0,0,0,1|2,0,0]=4 5037 B17R2.146246 Cc1ccc(o1)CNc2c(cccc2C)C 207a_100000185769_100000183696 [0,1,0,0,0,1|2,0,0]=4 5038 B17R2.146246 Cc1ccc(s1)CNc2c(cccc2C)C 207a_100000185769_100000211121 [0,1,0,0,0,1|2,0,0]=4 5039 B17R2.146246 Cc1ccc(s1)SCc2c(cccc2C)C 62a_100000031368_100000758300 [0,1,0,0,0,1|2,0,0]=4 5040 B17R2.146246 Cc1ccc(s1)SCc2c(cccc2C)C 62a_100000758300_100000031368 [0,1,0,0,0,1|2,0,0]=4 5041 B17R2.146246 Cc1cccc(c1CNc2nnc(s2)N)C 27a_100000689800_100000738278 [0,1,0,0,0,1|2,0,0]=4 5042 B17R2.146246 Cc1cccc(c1COc2ccn(n2)C)C 34a_100012642153_100000758300 [0,1,0,0,0,1|2,0,0]=4 5043 B17R2.146246 Cc1cccc(c1CSc2cc([nH]n2)N)C 62a_100000758300_100009822546 [0,1,0,0,0,1|2,0,0]=4 5044 B17R2.146246 Cc1cccc(c1CSc2cc([nH]n2)N)C 62a_100009822546_100000758300 [0,1,0,0,0,1|2,0,0]=4 5045 B17R2.146246 Cc1cccc(c1CSc2cc(n[nH]2)Br)C 62a_100000758300_100160470719 [0,1,0,0,0,1|2,0,0]=4 5046 B17R2.146246 Cc1cccc(c1CSc2cc(n[nH]2)Br)C 62a_100160470719_100000758300 [0,1,0,0,0,1|2,0,0]=4 5047 B17R2.146246 Cc1cccc(c1CSc2ccc(s2)Br)C 62a_100000758300_100010197418 [0,1,0,0,0,1|2,0,0]=4 5048 B17R2.146246 Cc1cccc(c1CSc2ccc(s2)Br)C 62a_100010197418_100000758300 [0,1,0,0,0,1|2,0,0]=4 5049 B17R2.146246 Cc1cccc(c1CSc2ccn(n2)C)C 62a_100000752436_100000758300 [0,1,0,0,0,1|2,0,0]=4 5050 B17R2.146246 Cc1cccc(c1CSc2ccn(n2)C)C 62a_100000758300_100000752436 [0,1,0,0,0,1|2,0,0]=4 5051 B17R2.146246 Cc1cccc(c1CSc2cn(cn2)C)C 62a_100000040308_100000758300 [0,1,0,0,0,1|2,0,0]=4 5052 B17R2.146246 Cc1cccc(c1CSc2cn(cn2)C)C 62a_100000758300_100000040308 [0,1,0,0,0,1|2,0,0]=4 5053 B17R2.146246 Cc1cccc(c1CSc2csc(n2)N)C 62a_100000758300_100011998049 [0,1,0,0,0,1|2,0,0]=4 5054 B17R2.146246 Cc1cccc(c1CSc2csc(n2)N)C 62a_100011998049_100000758300 [0,1,0,0,0,1|2,0,0]=4 5055 B17R2.146246 Cc1cccc(c1CSc2n[nH]c(n2)N)C 62a_100000758300_100015184587 [0,1,0,0,0,1|1,0,1]=4 5056 B17R2.146246 Cc1cccc(c1CSc2n[nH]c(n2)N)C 62a_100015184587_100000758300 [0,1,0,0,0,1|1,0,1]=4 5057 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)Br 62a_100010146847_200016082925 [0,1,0,0,0,1|2,0,0]=4 5058 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)Br 62a_200016082925_100010146847 [0,1,0,0,0,1|2,0,0]=4 5059 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)C 62a_100000758300_200016082925 [0,1,0,0,0,1|1,0,0]=3 5060 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)C 62a_200016082925_100000758300 [0,1,0,0,0,1|1,0,0]=3 5061 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)F 62a_100009814554_200016082925 [0,1,0,0,0,1|2,0,0]=4 5062 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)F 62a_200016082925_100009814554 [0,1,0,0,0,1|2,0,0]=4 5063 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)I 62a_100010150146_200016082925 [0,1,0,0,0,1|2,0,0]=4 5064 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)Br)I 62a_200016082925_100010150146 [0,1,0,0,0,1|2,0,0]=4 5065 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)Br 62a_100010146847_200015188442 [0,1,0,0,0,1|2,0,0]=4 5066 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)Br 62a_200015188442_100010146847 [0,1,0,0,0,1|2,0,0]=4 5067 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)C 62a_100000758300_200015188442 [0,1,0,0,0,1|1,0,0]=3 5068 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)C 62a_200015188442_100000758300 [0,1,0,0,0,1|1,0,0]=3 5069 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)F 62a_100009814554_200015188442 [0,1,0,0,0,1|2,0,0]=4 5070 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)F 62a_200015188442_100009814554 [0,1,0,0,0,1|2,0,0]=4 5071 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)I 62a_100010150146_200015188442 [0,1,0,0,0,1|2,0,0]=4 5072 B17R2.146246 Cc1cccc(c1CSc2nc(cs2)N)I 62a_200015188442_100010150146 [0,1,0,0,0,1|2,0,0]=4 5073 B17R2.146246 Cc1cccc(c1CSc2ncn(n2)C)C 62a_100000758300_100009819955 [0,1,0,0,0,1|1,0,1]=4 5074 B17R2.146246 Cc1cccc(c1CSc2ncn(n2)C)C 62a_100009819955_100000758300 [0,1,0,0,0,1|1,0,1]=4 5075 B17R2.146246 Cc1cccc(c1CSc2nnc(s2)N)C 62a_100000738278_100000758300 [0,1,0,0,0,1|2,0,0]=4 5076 B17R2.146246 Cc1cccc(c1CSc2nnc(s2)N)C 62a_100000758300_100000738278 [0,1,0,0,0,1|2,0,0]=4 5077 B17R2.146246 Cc1cccc(c1NCc2cc(cs2)Br)C 207a_100000185769_100000211722 [0,1,0,0,0,1|2,0,0]=4 5078 B17R2.146246 Cc1cccc(c1NCc2cc(cs2)Br)C 34a_100000185769_100000746031 [0,1,0,0,0,1|2,0,0]=4 5079 B17R2.146246 Cc1cccc(c1NCc2cc(cs2)Cl)C 207a_100000185769_100000102487 [0,1,0,0,0,1|2,0,0]=4 5080 B17R2.146246 Cc1cccc(c1NCc2cc(cs2)I)C 207a_100000185769_100010179861 [0,1,0,0,0,1|2,0,0]=4 5081 B17R2.146246 Cc1cccc(c1NCc2ccc(o2)Br)C 207a_100000185769_100000185145 [0,1,0,0,0,1|2,0,0]=4 5082 B17R2.146246 Cc1cccc(c1NCc2ccc(o2)Cl)C 207a_100000185769_100000188459 [0,1,0,0,0,1|2,0,0]=4 5083 B17R2.146246 Cc1cccc(c1NCc2ccc(o2)I)C 207a_100000185769_100000186757 [0,1,0,0,0,1|2,0,0]=4 5084 B17R2.146246 Cc1cccc(c1NCc2ccc(s2)Br)C 207a_100000185769_100000179771 [0,1,0,0,0,1|2,0,0]=4 5085 B17R2.146246 Cc1cccc(c1NCc2ccc(s2)Br)C 34a_100000185769_100000708592 [0,1,0,0,0,1|2,0,0]=4 5086 B17R2.146246 Cc1cccc(c1NCc2ccc(s2)Cl)C 207a_100000185769_100000242774 [0,1,0,0,0,1|2,0,0]=4 5087 B17R2.146246 Cc1cccc(c1NCc2ccc(s2)Cl)C 34a_100000185769_100000185097 [0,1,0,0,0,1|2,0,0]=4 5088 B17R2.146246 Cc1cccc(c1NCc2ccn(n2)C)C 207a_100000185769_100000750880 [0,1,0,0,0,1|2,0,0]=4 5089 B17R2.146246 Cc1cccc(c1NCc2ccn(n2)C)C 34a_100000185769_100000726502 [0,1,0,0,0,1|2,0,0]=4 5090 B17R2.146246 Cc1cccc(c1NCc2cn(cn2)C)C 207a_100000185769_100000684808 [0,1,0,0,0,1|2,0,0]=4 5091 B17R2.146246 Cc1cccc(c1NCc2cn(cn2)C)C 34a_100000185769_100000717665 [0,1,0,0,0,1|2,0,0]=4 5092 B17R2.146246 Cc1cccc(c1NCc2csc(n2)Cl)C 34a_100000185769_100000024076 [0,1,0,0,0,1|2,0,0]=4 5093 B17R2.146246 Cc1cccc(c1NCc2ncn(n2)C)C 207a_100000185769_100010630104 [0,1,0,0,0,1|1,0,1]=4 5094 B17R2.146246 Cc1cccc(c1NCc2ncn(n2)C)C 34a_100000185769_100016995526 [0,1,0,0,0,1|1,0,1]=4 5095 B17R2.146246 Cc1cccc(c1NCc2nsc(n2)Cl)C 34a_100000185769_100000043760 [0,1,0,0,0,1|1,0,1]=4 5096 B17R2.146246 Cc1cccc(c1OCc2cc(cs2)Br)C 34a_100000210341_100000746031 [0,1,0,0,0,1|2,0,0]=4 5097 B17R2.146246 Cc1cccc(c1OCc2cc(cs2)Br)C 7a_100000210341_100000746031 [0,1,0,0,0,1|2,0,0]=4 5098 B17R2.146246 Cc1cccc(c1OCc2ccc(s2)Br)C 34a_100000210341_100000708592 [0,1,0,0,0,1|2,0,0]=4 5099 B17R2.146246 Cc1cccc(c1OCc2ccc(s2)Br)C 7a_100000210341_100000708592 [0,1,0,0,0,1|2,0,0]=4 5100 B17R2.146246 Cc1cccc(c1OCc2ccc(s2)Cl)C 34a_100000210341_100000185097 [0,1,0,0,0,1|2,0,0]=4 5101 B17R2.146246 Cc1cccc(c1OCc2ccc(s2)Cl)C 7a_100000210341_100000185097 [0,1,0,0,0,1|2,0,0]=4 5102 B17R2.146246 Cc1cccc(c1OCc2ccn(n2)C)C 34a_100000210341_100000726502 [0,1,0,0,0,1|2,0,0]=4 5103 B17R2.146246 Cc1cccc(c1OCc2ccn(n2)C)C 7a_100000210341_100000726502 [0,1,0,0,0,1|2,0,0]=4 5104 B17R2.146246 Cc1cccc(c1OCc2cn(cn2)C)C 34a_100000210341_100000717665 [0,1,0,0,0,1|2,0,0]=4 5105 B17R2.146246 Cc1cccc(c1OCc2cn(cn2)C)C 7a_100000210341_100000717665 [0,1,0,0,0,1|2,0,0]=4 5106 B17R2.146246 Cc1cccc(c1OCc2csc(n2)Cl)C 34a_100000210341_100000024076 [0,1,0,0,0,1|2,0,0]=4 5107 B17R2.146246 Cc1cccc(c1OCc2csc(n2)Cl)C 7a_100000210341_100000024076 [0,1,0,0,0,1|2,0,0]=4 5108 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)Br 7a_100009817157_100000754189 [0,1,0,0,0,1|2,0,0]=4 5109 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)C 7a_100000210341_100000754189 [0,1,0,0,0,1|1,0,0]=3 5110 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)Cl 7a_100000033731_100000754189 [0,1,0,0,0,1|2,0,0]=4 5111 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)F 7a_100011659162_100000754189 [0,1,0,0,0,1|2,0,0]=4 5112 B17R2.146246 Cc1cccc(c1OCc2n[nH]c(=O)[nH]2)N 7a_100000756359_100000754189 [0,1,0,0,0,1|2,0,0]=4 5113 B17R2.146246 Cc1cccc(c1OCc2ncn(n2)C)C 34a_100000210341_100016995526 [0,1,0,0,0,1|1,0,1]=4 5114 B17R2.146246 Cc1cccc(c1OCc2ncn(n2)C)C 7a_100000210341_100016995526 [0,1,0,0,0,1|1,0,1]=4 5115 B17R2.146246 Cc1cccc(c1OCc2nsc(n2)Cl)C 34a_100000210341_100000043760 [0,1,0,0,0,1|1,0,1]=4 5116 B17R2.146246 Cc1cccc(c1SCc2cc(cs2)Br)C 62a_100000033847_100000746031 [0,1,0,0,0,1|2,0,0]=4 5117 B17R2.146246 Cc1cccc(c1SCc2cc(cs2)Br)C 62a_100000746031_100000033847 [0,1,0,0,0,1|2,0,0]=4 5118 B17R2.146246 Cc1cccc(c1SCc2ccc(s2)Br)C 62a_100000033847_100000708592 [0,1,0,0,0,1|2,0,0]=4 5119 B17R2.146246 Cc1cccc(c1SCc2ccc(s2)Br)C 62a_100000708592_100000033847 [0,1,0,0,0,1|2,0,0]=4 5120 B17R2.146246 Cc1cccc(c1SCc2ccc(s2)Cl)C 62a_100000033847_100000185097 [0,1,0,0,0,1|2,0,0]=4 5121 B17R2.146246 Cc1cccc(c1SCc2ccc(s2)Cl)C 62a_100000185097_100000033847 [0,1,0,0,0,1|2,0,0]=4 5122 B17R2.146246 Cc1cccc(c1SCc2ccn(n2)C)C 62a_100000033847_100000726502 [0,1,0,0,0,1|2,0,0]=4 5123 B17R2.146246 Cc1cccc(c1SCc2ccn(n2)C)C 62a_100000726502_100000033847 [0,1,0,0,0,1|2,0,0]=4 5124 B17R2.146246 Cc1cccc(c1SCc2cn(cn2)C)C 62a_100000033847_100000717665 [0,1,0,0,0,1|2,0,0]=4 5125 B17R2.146246 Cc1cccc(c1SCc2cn(cn2)C)C 62a_100000717665_100000033847 [0,1,0,0,0,1|2,0,0]=4 5126 B17R2.146246 Cc1cccc(c1SCc2csc(n2)Cl)C 62a_100000024076_100000033847 [0,1,0,0,0,1|2,0,0]=4 5127 B17R2.146246 Cc1cccc(c1SCc2csc(n2)Cl)C 62a_100000033847_100000024076 [0,1,0,0,0,1|2,0,0]=4 5128 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)Br 62a_100010141302_100000754189 [0,1,0,0,0,1|2,0,0]=4 5129 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)C 62a_100000033847_100000754189 [0,1,0,0,0,1|1,0,0]=3 5130 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)Cl 62a_100000043165_100000754189 [0,1,0,0,0,1|2,0,0]=4 5131 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)F 62a_100011218421_100000754189 [0,1,0,0,0,1|2,0,0]=4 5132 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)N 62a_100000684715_100000754189 [0,1,0,0,0,1|2,0,0]=4 5133 B17R2.146246 Cc1cccc(c1SCc2n[nH]c(=O)[nH]2)O 62a_100000686692_100000754189 [0,1,0,0,0,1|2,0,0]=4 5134 B17R2.146246 Cc1cccc(c1SCc2ncn(n2)C)C 62a_100000033847_100016995526 [0,1,0,0,0,1|1,0,1]=4 5135 B17R2.146246 Cc1cccc(c1SCc2ncn(n2)C)C 62a_100016995526_100000033847 [0,1,0,0,0,1|1,0,1]=4 5136 B17R2.146246 Cc1cccc(c1SCc2nsc(n2)Cl)C 62a_100000033847_100000043760 [0,1,0,0,0,1|1,0,1]=4 5137 B17R2.146246 Cc1cccc(c1SCc2nsc(n2)Cl)C 62a_100000043760_100000033847 [0,1,0,0,0,1|1,0,1]=4 5138 B17R2.146246 Cc1ccnc(c1OCc2n[nH]c(=O)[nH]2)C 7a_100011934651_100000754189 [0,1,0,0,0,1|2,0,0]=4 5139 B17R2.146246 Cc1ccnc(c1SCc2n[nH]c(=O)[nH]2)C 62a_100012000501_100000754189 [0,1,0,0,0,1|2,0,0]=4 5140 B17R2.146246 Cc1cnc(s1)CNc2c(cccc2C)C 207a_100000185769_100011361622 [0,1,0,0,0,1|1,0,0]=3 5141 B17R2.146246 Cc1cnc(s1)CNc2c(cccc2F)C 207a_100000766463_100011361622 [0,1,0,0,0,1|2,0,0]=4 5142 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2Br)C 62a_100000690809_100010146847 [0,1,0,0,0,1|2,0,0]=4 5143 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2Br)C 62a_100010146847_100000690809 [0,1,0,0,0,1|2,0,0]=4 5144 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2C)C 62a_100000690809_100000758300 [0,1,0,0,0,1|1,0,0]=3 5145 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2C)C 62a_100000758300_100000690809 [0,1,0,0,0,1|1,0,0]=3 5146 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2F)C 62a_100000690809_100009814554 [0,1,0,0,0,1|2,0,0]=4 5147 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2F)C 62a_100009814554_100000690809 [0,1,0,0,0,1|2,0,0]=4 5148 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2I)C 62a_100000690809_100010150146 [0,1,0,0,0,1|2,0,0]=4 5149 B17R2.146246 Cc1cnc(s1)SCc2c(cccc2I)C 62a_100010150146_100000690809 [0,1,0,0,0,1|2,0,0]=4 5150 B17R2.146246 Cc1cncc(c1SCc2n[nH]c(=O)[nH]2)C 62a_100009817138_100000754189 [0,1,0,0,0,1|2,0,0]=4 5151 B17R2.146246 Cc1csc(c1)CNc2c(cccc2C)C 207a_100000185769_100102525248 [0,1,0,0,0,1|2,0,0]=4 5152 B17R2.146246 Cc1csc(c1)SCc2c(cccc2C)C 62a_100000758300_100009876951 [0,1,0,0,0,1|2,0,0]=4 5153 B17R2.146246 Cc1csc(c1)SCc2c(cccc2C)C 62a_100009876951_100000758300 [0,1,0,0,0,1|2,0,0]=4 5154 B17R2.146246 Cc1csc(n1)CNc2c(cccc2C)C 207a_100000185769_100000756994 [0,1,0,0,0,1|1,0,0]=3 5155 B17R2.146246 Cc1csc(n1)CNc2c(cccc2F)C 207a_100000766463_100000756994 [0,1,0,0,0,1|2,0,0]=4 5156 B17R2.146246 Cc1csc(n1)SCc2c(cccc2Br)C 62a_100010146847_100011291629 [0,1,0,0,0,1|2,0,0]=4 5157 B17R2.146246 Cc1csc(n1)SCc2c(cccc2Br)C 62a_100011291629_100010146847 [0,1,0,0,0,1|2,0,0]=4 5158 B17R2.146246 Cc1csc(n1)SCc2c(cccc2C)C 62a_100000758300_100011291629 [0,1,0,0,0,1|1,0,0]=3 5159 B17R2.146246 Cc1csc(n1)SCc2c(cccc2C)C 62a_100011291629_100000758300 [0,1,0,0,0,1|1,0,0]=3 5160 B17R2.146246 Cc1csc(n1)SCc2c(cccc2F)C 62a_100009814554_100011291629 [0,1,0,0,0,1|2,0,0]=4 5161 B17R2.146246 Cc1csc(n1)SCc2c(cccc2F)C 62a_100011291629_100009814554 [0,1,0,0,0,1|2,0,0]=4 5162 B17R2.146246 Cc1csc(n1)SCc2c(cccc2I)C 62a_100010150146_100011291629 [0,1,0,0,0,1|2,0,0]=4 5163 B17R2.146246 Cc1csc(n1)SCc2c(cccc2I)C 62a_100011291629_100010150146 [0,1,0,0,0,1|2,0,0]=4 5164 B17R2.146246 Cc1nc(c[nH]1)CNc2c(cccc2C)C 207a_100000185769_100011219055 [0,1,0,0,0,1|2,0,0]=4 5165 B17R2.146246 Cc1nc(c[nH]1)SCc2c(cccc2C)C 62a_100000758300_100009814057 [0,1,0,0,0,1|2,0,0]=4 5166 B17R2.146246 Cc1nc(c[nH]1)SCc2c(cccc2C)C 62a_100009814057_100000758300 [0,1,0,0,0,1|2,0,0]=4 5167 B17R2.146246 Cc1nc(co1)CNc2c(cccc2C)C 207a_100000185769_100011361629 [0,1,0,0,0,1|2,0,0]=4 5168 B17R2.146246 Cc1nc(cs1)CNc2c(cccc2C)C 207a_100000185769_100000203724 [0,1,0,0,0,1|2,0,0]=4 5169 B17R2.146246 Cc1nc(cs1)CNc2c(cccc2C)C 34a_100000185769_100015186478 [0,1,0,0,0,1|2,0,0]=4 5170 B17R2.146246 Cc1nc(cs1)COc2c(cccc2C)C 34a_100000210341_100015186478 [0,1,0,0,0,1|2,0,0]=4 5171 B17R2.146246 Cc1nc(cs1)COc2c(cccc2C)C 7a_100000210341_100015186478 [0,1,0,0,0,1|2,0,0]=4 5172 B17R2.146246 Cc1nc(cs1)CSc2c(cccc2C)C 62a_100000033847_100015186478 [0,1,0,0,0,1|2,0,0]=4 5173 B17R2.146246 Cc1nc(cs1)CSc2c(cccc2C)C 62a_100015186478_100000033847 [0,1,0,0,0,1|2,0,0]=4 5174 B17R2.146246 Cc1nc(cs1)SCc2c(cccc2C)C 62a_100000758300_100011934587 [0,1,0,0,0,1|2,0,0]=4 5175 B17R2.146246 Cc1nc(cs1)SCc2c(cccc2C)C 62a_100011934587_100000758300 [0,1,0,0,0,1|2,0,0]=4 5176 B17R2.146246 Cc1nc(n[nH]1)SCc2c(cccc2C)C 62a_100000732540_100000758300 [0,1,0,0,0,1|1,0,1]=4 5177 B17R2.146246 Cc1nc(n[nH]1)SCc2c(cccc2C)C 62a_100000758300_100000732540 [0,1,0,0,0,1|1,0,1]=4 5178 B17R2.146246 Cc1nc(no1)CNc2c(cccc2C)C 34a_100000185769_100000231061 [0,1,0,0,0,1|1,0,1]=4 5179 B17R2.146246 Cc1nc(no1)COc2c(cccc2C)C 34a_100000210341_100000231061 [0,1,0,0,0,1|1,0,1]=4 5180 B17R2.146246 Cc1nc(no1)COc2c(cccc2C)C 7a_100000210341_100000231061 [0,1,0,0,0,1|1,0,1]=4 5181 B17R2.146246 Cc1nc(no1)CSc2c(cccc2C)C 62a_100000033847_100000231061 [0,1,0,0,0,1|1,0,1]=4 5182 B17R2.146246 Cc1nc(no1)CSc2c(cccc2C)C 62a_100000231061_100000033847 [0,1,0,0,0,1|1,0,1]=4 5183 B17R2.146246 Cc1nc(no1)NCc2c(cccc2C)C 27a_100000689800_100012003639 [0,1,0,0,0,1|1,0,1]=4 5184 B17R2.146246 Cc1nc(no1)SCc2c(cccc2C)C 62a_100000758300_100012003639 [0,1,0,0,0,1|1,0,1]=4 5185 B17R2.146246 Cc1nc(no1)SCc2c(cccc2C)C 62a_100012003639_100000758300 [0,1,0,0,0,1|1,0,1]=4 5186 B17R2.146246 Cc1nnc(o1)COc2c(cccc2C)C 7a_100000210341_100000181450 [0,1,0,0,0,1|2,0,0]=4 5187 B17R2.146246 Cc1nnc(o1)CSc2c(cccc2C)C 62a_100000033847_100000181450 [0,1,0,0,0,1|2,0,0]=4 5188 B17R2.146246 Cc1nnc(o1)CSc2c(cccc2C)C 62a_100000181450_100000033847 [0,1,0,0,0,1|2,0,0]=4 5189 B17R2.146246 Cc1nnc(o1)NCc2c(cccc2C)C 27a_100000689800_100000708914 [0,1,0,0,0,1|2,0,0]=4 5190 B17R2.146246 Cc1nnc(o1)SCc2c(cccc2C)C 62a_100000758300_100000708914 [0,1,0,0,0,1|2,0,0]=4 5191 B17R2.146246 Cc1nnc(s1)CNc2c(cccc2C)C 34a_100000185769_100000688753 [0,1,0,0,0,1|2,0,0]=4 5192 B17R2.146246 Cc1nnc(s1)COc2c(cccc2C)C 34a_100000210341_100000688753 [0,1,0,0,0,1|2,0,0]=4 5193 B17R2.146246 Cc1nnc(s1)COc2c(cccc2C)C 7a_100000210341_100000688753 [0,1,0,0,0,1|2,0,0]=4 5194 B17R2.146246 Cc1nnc(s1)CSc2c(cccc2C)C 62a_100000033847_100000688753 [0,1,0,0,0,1|2,0,0]=4 5195 B17R2.146246 Cc1nnc(s1)CSc2c(cccc2C)C 62a_100000688753_100000033847 [0,1,0,0,0,1|2,0,0]=4 5196 B17R2.146246 Cc1nnc(s1)NCc2c(cccc2C)C 27a_100000689800_100000686958 [0,1,0,0,0,1|2,0,0]=4 5197 B17R2.146246 Cc1nnc(s1)SCc2c(cccc2C)C 62a_100000686958_100000758300 [0,1,0,0,0,1|2,0,0]=4 5198 B17R2.146246 Cc1nnc(s1)SCc2c(cccc2C)C 62a_100000758300_100000686958 [0,1,0,0,0,1|2,0,0]=4 5199 B17R2.146246 Cc1noc(n1)CCc2c(cccc2C)C 270196a_100000212224_200011998103 [0,1,0,0,0,1|2,0,0]=4 5200 B17R2.146246 Cc1noc(n1)CNc2c(cccc2C)C 34a_100000185769_100000735555 [0,1,0,0,0,1|2,0,0]=4 5201 B17R2.146246 Cc1noc(n1)COc2c(cccc2C)C 270196a_100000212224_100000184085 [0,1,0,0,0,1|2,0,0]=4 5202 B17R2.146246 Cc1noc(n1)COc2c(cccc2C)C 34a_100000210341_100000735555 [0,1,0,0,0,1|2,0,0]=4 5203 B17R2.146246 Cc1noc(n1)COc2c(cccc2C)C 7a_100000210341_100000735555 [0,1,0,0,0,1|2,0,0]=4 5204 B17R2.146246 Cc1noc(n1)CSc2c(cccc2C)C 62a_100000033847_100000735555 [0,1,0,0,0,1|2,0,0]=4 5205 B17R2.146246 Cc1noc(n1)CSc2c(cccc2C)C 62a_100000735555_100000033847 [0,1,0,0,0,1|2,0,0]=4 5206 B17R2.146246 Cc1nsc(n1)NCc2c(cccc2C)C 27a_100000689800_100000709739 [0,1,0,0,0,1|2,0,0]=4 5207 B17R2.146246 Cc1nsc(n1)SCc2c(cccc2C)C 62a_100000709739_100000758300 [0,1,0,0,0,1|2,0,0]=4 5208 B17R2.146246 Cc1nsc(n1)SCc2c(cccc2C)C 62a_100000758300_100000709739 [0,1,0,0,0,1|2,0,0]=4 5209 B17R2.276976 Cc1c(c(=O)ccn1C)OCc2ncc[nH]2 34a_100000032683_100016991755 [0,1,0,0,0,1|2,0,0]=4 5210 B17R2.276976 Cc1c(c(=O)ccn1C)OCc2ncc[nH]2 7a_100000032683_100000753453 [0,1,0,0,0,1|2,0,0]=4 5211 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)Br)F 34a_100011009917_100016991755 [0,1,0,0,0,1|1,0,0]=3 5212 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)Cl)Cl 34a_100009961198_100016991755 [0,1,0,0,0,1|1,0,0]=3 5213 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)F)Br 207a_100010588651_100000743867 [0,1,0,0,0,1|1,0,0]=3 5214 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)F)Br 2230a_100010588651_100016991755 [0,1,0,0,0,1|1,0,0]=3 5215 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)F)Br 34a_100010588651_100016991755 [0,1,0,0,0,1|1,0,0]=3 5216 B17R2.276976 Cc1c(ccc(c1NCc2ncc[nH]2)O)Br 34a_100013039247_100016991755 [0,1,0,0,0,1|1,0,0]=3 5217 B17R2.276976 Cc1c(ccc(c1NCc2ncco2)Br)F 34a_100011009917_103436540062 [0,1,0,0,0,1|2,0,0]=4 5218 B17R2.276976 Cc1c(ccc(c1NCc2ncco2)Cl)Cl 34a_100009961198_103436540062 [0,1,0,0,0,1|2,0,0]=4 5219 B17R2.276976 Cc1c(ccc(c1NCc2ncco2)F)Br 2230a_100010588651_103436540062 [0,1,0,0,0,1|2,0,0]=4 5220 B17R2.276976 Cc1c(ccc(c1NCc2ncco2)F)Br 34a_100010588651_103436540062 [0,1,0,0,0,1|2,0,0]=4 5221 B17R2.276976 Cc1c(ccc(c1NCc2ncco2)O)Br 34a_100013039247_103436540062 [0,1,0,0,0,1|2,0,0]=4 5222 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)Br)F 270302a_100011009917_100000750902 [0,1,0,0,0,1|2,0,0]=4 5223 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)Br)F 34a_100011009917_100015184050 [0,1,0,0,0,1|2,0,0]=4 5224 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)Cl)Cl 270302a_100009961198_100000750902 [0,1,0,0,0,1|2,0,0]=4 5225 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)Cl)Cl 34a_100009961198_100015184050 [0,1,0,0,0,1|2,0,0]=4 5226 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)F)Br 207a_100010588651_100000750902 [0,1,0,0,0,1|2,0,0]=4 5227 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)F)Br 2230a_100010588651_100015184050 [0,1,0,0,0,1|2,0,0]=4 5228 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)F)Br 270302a_100010588651_100000750902 [0,1,0,0,0,1|2,0,0]=4 5229 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)F)Br 34a_100010588651_100015184050 [0,1,0,0,0,1|2,0,0]=4 5230 B17R2.276976 Cc1c(ccc(c1NCc2nccs2)O)Br 34a_100013039247_100015184050 [0,1,0,0,0,1|2,0,0]=4 5231 B17R2.276976 Cc1c(ccc(c1OCc2ncc[nH]2)Br)Cl 34a_200010391122_100016991755 [0,1,0,0,0,1|1,0,0]=3 5232 B17R2.276976 Cc1c(ccc(c1OCc2ncc[nH]2)Br)Cl 7a_200010391122_100000753453 [0,1,0,0,0,1|1,0,0]=3 5233 B17R2.276976 Cc1c(ccc(c1OCc2ncc[nH]2)Br)F 34a_200010391124_100016991755 [0,1,0,0,0,1|1,0,0]=3 5234 B17R2.276976 Cc1c(ccc(c1OCc2ncc[nH]2)Br)F 7a_200010391124_100000753453 [0,1,0,0,0,1|1,0,0]=3 5235 B17R2.276976 Cc1c(ccc(c1OCc2ncco2)Br)Cl 34a_200010391122_103436540062 [0,1,0,0,0,1|2,0,0]=4 5236 B17R2.276976 Cc1c(ccc(c1OCc2ncco2)Br)Cl 7a_200010391122_103436540062 [0,1,0,0,0,1|2,0,0]=4 5237 B17R2.276976 Cc1c(ccc(c1OCc2ncco2)Br)F 34a_200010391124_103436540062 [0,1,0,0,0,1|2,0,0]=4 5238 B17R2.276976 Cc1c(ccc(c1OCc2ncco2)Br)F 7a_200010391124_103436540062 [0,1,0,0,0,1|2,0,0]=4 5239 B17R2.276976 Cc1c(ccc(c1OCc2nccs2)Br)Cl 34a_200010391122_100015184050 [0,1,0,0,0,1|2,0,0]=4 5240 B17R2.276976 Cc1c(ccc(c1OCc2nccs2)Br)Cl 7a_200010391122_100015184050 [0,1,0,0,0,1|2,0,0]=4 5241 B17R2.276976 Cc1c(ccc(c1OCc2nccs2)Br)F 34a_200010391124_100015184050 [0,1,0,0,0,1|2,0,0]=4 5242 B17R2.276976 Cc1c(ccc(c1OCc2nccs2)Br)F 7a_200010391124_100015184050 [0,1,0,0,0,1|2,0,0]=4 5243 B17R2.276976 Cc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100010167959_100016991755 [0,1,0,0,0,1|1,0,0]=3 5244 B17R2.276976 Cc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100010167959 [0,1,0,0,0,1|1,0,0]=3 5245 B17R2.276976 Cc1c(ccc(c1SCc2ncco2)F)F 62a_100010167959_103436540062 [0,1,0,0,0,1|2,0,0]=4 5246 B17R2.276976 Cc1c(ccc(c1SCc2ncco2)F)F 62a_103436540062_100010167959 [0,1,0,0,0,1|2,0,0]=4 5247 B17R2.276976 Cc1c(ccc(c1SCc2nccs2)F)F 62a_100010167959_100015184050 [0,1,0,0,0,1|2,0,0]=4 5248 B17R2.276976 Cc1c(ccc(c1SCc2nccs2)F)F 62a_100015184050_100010167959 [0,1,0,0,0,1|2,0,0]=4 5249 B17R2.276976 Cc1c(cnc(c1SCc2ncc[nH]2)N)Br 62a_100010254231_100016991755 [0,1,0,0,0,1|2,0,0]=4 5250 B17R2.276976 Cc1c(cnc(c1SCc2ncc[nH]2)N)Br 62a_100016991755_100010254231 [0,1,0,0,0,1|2,0,0]=4 5251 B17R2.276976 Cc1ccc(c(c1Br)OCc2ncc[nH]2)F 34a_200010223207_100016991755 [0,1,0,0,0,1|2,0,0]=4 5252 B17R2.276976 Cc1ccc(c(c1Br)OCc2ncc[nH]2)F 7a_200010223207_100000753453 [0,1,0,0,0,1|2,0,0]=4 5253 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 34a_100000117417_100000737910 [0,1,0,0,0,1|0,0,2]=4 5254 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 7a_100000117417_100000737910 [0,1,0,0,0,1|0,0,2]=4 5255 B17R2.276976 Cc1ccc(c(c1C)NCc2c[nH]cn2)C 2230a_100000117417_100000707719 [0,1,0,0,0,1|2,0,0]=4 5256 B17R2.276976 Cc1ccc(c(c1C)NCc2c[nH]cn2)C 34a_100000117417_100000707719 [0,1,0,0,0,1|2,0,0]=4 5257 B17R2.276976 Cc1ccc(c(c1C)NCc2cc[nH]n2)C 207a_100000117417_100000738523 [0,1,0,0,0,1|2,0,0]=4 5258 B17R2.276976 Cc1ccc(c(c1C)NCc2ccco2)C 207a_100000117417_100000186105 [0,1,0,0,0,1|2,0,0]=4 5259 B17R2.276976 Cc1ccc(c(c1C)NCc2ccco2)C 270302a_100000117417_100000186105 [0,1,0,0,0,1|2,0,0]=4 5260 B17R2.276976 Cc1ccc(c(c1C)NCc2cccs2)C 207a_100000117417_100000209959 [0,1,0,0,0,1|2,0,0]=4 5261 B17R2.276976 Cc1ccc(c(c1C)NCc2cccs2)C 270302a_100000117417_100000209959 [0,1,0,0,0,1|2,0,0]=4 5262 B17R2.276976 Cc1ccc(c(c1C)NCc2ccn[nH]2)C 2230a_100000117417_100000728653 [0,1,0,0,0,1|2,0,0]=4 5263 B17R2.276976 Cc1ccc(c(c1C)NCc2ccn[nH]2)C 34a_100000117417_100000728653 [0,1,0,0,0,1|2,0,0]=4 5264 B17R2.276976 Cc1ccc(c(c1C)NCc2ccn[nH]2)C 7a_100000117417_100000728653 [0,1,0,0,0,1|2,0,0]=4 5265 B17R2.276976 Cc1ccc(c(c1C)NCc2ccon2)C 2230a_100000117417_100000234950 [0,1,0,0,0,1|2,0,0]=4 5266 B17R2.276976 Cc1ccc(c(c1C)NCc2ccon2)C 34a_100000117417_100000234950 [0,1,0,0,0,1|2,0,0]=4 5267 B17R2.276976 Cc1ccc(c(c1C)NCc2ccon2)C 7a_100000117417_100000234950 [0,1,0,0,0,1|2,0,0]=4 5268 B17R2.276976 Cc1ccc(c(c1C)NCc2cnc[nH]2)C 207a_100000117417_100000742939 [0,1,0,0,0,1|2,0,0]=4 5269 B17R2.276976 Cc1ccc(c(c1C)NCc2cscn2)C 207a_100000117417_100000743575 [0,1,0,0,0,1|2,0,0]=4 5270 B17R2.276976 Cc1ccc(c(c1C)NCc2cscn2)C 2230a_100000117417_100000205941 [0,1,0,0,0,1|2,0,0]=4 5271 B17R2.276976 Cc1ccc(c(c1C)NCc2cscn2)C 270302a_100000117417_100000743575 [0,1,0,0,0,1|2,0,0]=4 5272 B17R2.276976 Cc1ccc(c(c1C)NCc2cscn2)C 34a_100000117417_100000205941 [0,1,0,0,0,1|2,0,0]=4 5273 B17R2.276976 Cc1ccc(c(c1C)NCc2cscn2)C 7a_100000117417_100000205941 [0,1,0,0,0,1|2,0,0]=4 5274 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 207a_100000117417_100000743867 [0,1,0,0,0,1|0,0,0]=2 5275 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 2230a_100000117417_100016991755 [0,1,0,0,0,1|0,0,0]=2 5276 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 34a_100000117417_100016991755 [0,1,0,0,0,1|0,0,0]=2 5277 B17R2.276976 Cc1ccc(c(c1C)NCc2ncc[nH]2)C 7a_100000117417_100000753453 [0,1,0,0,0,1|0,0,0]=2 5278 B17R2.276976 Cc1ccc(c(c1C)NCc2ncco2)C 2230a_100000117417_103436540062 [0,1,0,0,0,1|1,0,0]=3 5279 B17R2.276976 Cc1ccc(c(c1C)NCc2ncco2)C 34a_100000117417_103436540062 [0,1,0,0,0,1|1,0,0]=3 5280 B17R2.276976 Cc1ccc(c(c1C)NCc2ncco2)C 7a_100000117417_103436540062 [0,1,0,0,0,1|1,0,0]=3 5281 B17R2.276976 Cc1ccc(c(c1C)NCc2nccs2)C 207a_100000117417_100000750902 [0,1,0,0,0,1|1,0,0]=3 5282 B17R2.276976 Cc1ccc(c(c1C)NCc2nccs2)C 2230a_100000117417_100015184050 [0,1,0,0,0,1|1,0,0]=3 5283 B17R2.276976 Cc1ccc(c(c1C)NCc2nccs2)C 270302a_100000117417_100000750902 [0,1,0,0,0,1|1,0,0]=3 5284 B17R2.276976 Cc1ccc(c(c1C)NCc2nccs2)C 34a_100000117417_100015184050 [0,1,0,0,0,1|1,0,0]=3 5285 B17R2.276976 Cc1ccc(c(c1C)NCc2nccs2)C 7a_100000117417_100015184050 [0,1,0,0,0,1|1,0,0]=3 5286 B17R2.276976 Cc1ccc(c(c1C)NCc2ncon2)C 34a_100000117417_100000233494 [0,1,0,0,0,1|1,0,1]=4 5287 B17R2.276976 Cc1ccc(c(c1C)NCc2nnn[nH]2)C 34a_100000117417_100000765167 [0,1,0,0,0,1|2,0,0]=4 5288 B17R2.276976 Cc1ccc(c(c1C)NCc2nnn[nH]2)C 7a_100000117417_100000765167 [0,1,0,0,0,1|2,0,0]=4 5289 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 34a_100000211305_100000737910 [0,1,0,0,0,1|0,0,2]=4 5290 B17R2.276976 Cc1ccc(c(c1C)OCC2=NCCN2)C 7a_100000211305_100000737910 [0,1,0,0,0,1|0,0,2]=4 5291 B17R2.276976 Cc1ccc(c(c1C)OCc2c[nH]cn2)C 34a_100000211305_100000707719 [0,1,0,0,0,1|2,0,0]=4 5292 B17R2.276976 Cc1ccc(c(c1C)OCc2ccn[nH]2)C 34a_100000211305_100000728653 [0,1,0,0,0,1|2,0,0]=4 5293 B17R2.276976 Cc1ccc(c(c1C)OCc2ccn[nH]2)C 7a_100000211305_100000728653 [0,1,0,0,0,1|2,0,0]=4 5294 B17R2.276976 Cc1ccc(c(c1C)OCc2ccon2)C 34a_100000211305_100000234950 [0,1,0,0,0,1|2,0,0]=4 5295 B17R2.276976 Cc1ccc(c(c1C)OCc2ccon2)C 7a_100000211305_100000234950 [0,1,0,0,0,1|2,0,0]=4 5296 B17R2.276976 Cc1ccc(c(c1C)OCc2cscn2)C 34a_100000211305_100000205941 [0,1,0,0,0,1|2,0,0]=4 5297 B17R2.276976 Cc1ccc(c(c1C)OCc2cscn2)C 7a_100000211305_100000205941 [0,1,0,0,0,1|2,0,0]=4 5298 B17R2.276976 Cc1ccc(c(c1C)OCc2ncc[nH]2)C 34a_100000211305_100016991755 [0,1,0,0,0,1|0,0,0]=2 5299 B17R2.276976 Cc1ccc(c(c1C)OCc2ncc[nH]2)C 7a_100000211305_100000753453 [0,1,0,0,0,1|0,0,0]=2 5300 B17R2.276976 Cc1ccc(c(c1C)OCc2ncco2)C 34a_100000211305_103436540062 [0,1,0,0,0,1|1,0,0]=3 5301 B17R2.276976 Cc1ccc(c(c1C)OCc2ncco2)C 7a_100000211305_103436540062 [0,1,0,0,0,1|1,0,0]=3 5302 B17R2.276976 Cc1ccc(c(c1C)OCc2nccs2)C 34a_100000211305_100015184050 [0,1,0,0,0,1|1,0,0]=3 5303 B17R2.276976 Cc1ccc(c(c1C)OCc2nccs2)C 7a_100000211305_100015184050 [0,1,0,0,0,1|1,0,0]=3 5304 B17R2.276976 Cc1ccc(c(c1C)OCc2ncon2)C 34a_100000211305_100000233494 [0,1,0,0,0,1|1,0,1]=4 5305 B17R2.276976 Cc1ccc(c(c1C)OCc2nnn[nH]2)C 34a_100000211305_100000765167 [0,1,0,0,0,1|2,0,0]=4 5306 B17R2.276976 Cc1ccc(c(c1C)OCc2nnn[nH]2)C 7a_100000211305_100000765167 [0,1,0,0,0,1|2,0,0]=4 5307 B17R2.276976 Cc1ccc(c(c1Cl)CSc2ncc[nH]2)Cl 62a_100025796157_200010220899 [0,1,0,0,0,1|2,0,0]=4 5308 B17R2.276976 Cc1ccc(c(c1Cl)CSc2ncc[nH]2)Cl 62a_200010220899_100025796157 [0,1,0,0,0,1|2,0,0]=4 5309 B17R2.276976 Cc1ccc(c(c1Cl)CSc2ncc[nH]2)F 62a_100009813558_100025796157 [0,1,0,0,0,1|2,0,0]=4 5310 B17R2.276976 Cc1ccc(c(c1Cl)CSc2ncc[nH]2)F 62a_100025796157_100009813558 [0,1,0,0,0,1|2,0,0]=4 5311 B17R2.276976 Cc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_100000210993_100016991755 [0,1,0,0,0,1|2,0,0]=4 5312 B17R2.276976 Cc1ccc(c(c1Cl)NCc2ncc[nH]2)F 207a_106744479701_100000743867 [0,1,0,0,0,1|2,0,0]=4 5313 B17R2.276976 Cc1ccc(c(c1Cl)NCc2ncc[nH]2)F 34a_106744479701_100016991755 [0,1,0,0,0,1|2,0,0]=4 5314 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 34a_200000087117_100016991755 [0,1,0,0,0,1|2,0,0]=4 5315 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 7a_200000087117_100000753453 [0,1,0,0,0,1|2,0,0]=4 5316 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)F 34a_100000035349_100016991755 [0,1,0,0,0,1|2,0,0]=4 5317 B17R2.276976 Cc1ccc(c(c1Cl)OCc2ncc[nH]2)F 7a_100000035349_100000753453 [0,1,0,0,0,1|2,0,0]=4 5318 B17R2.276976 Cc1ccc(c(c1F)CSc2ncc[nH]2)Cl 62a_100009813557_100025796157 [0,1,0,0,0,1|2,0,0]=4 5319 B17R2.276976 Cc1ccc(c(c1F)CSc2ncc[nH]2)Cl 62a_100025796157_100009813557 [0,1,0,0,0,1|2,0,0]=4 5320 B17R2.276976 Cc1ccc(c(c1F)CSc2ncc[nH]2)F 62a_100011217880_100025796157 [0,1,0,0,0,1|2,0,0]=4 5321 B17R2.276976 Cc1ccc(c(c1F)CSc2ncc[nH]2)F 62a_100025796157_100011217880 [0,1,0,0,0,1|2,0,0]=4 5322 B17R2.276976 Cc1ccc(c(c1F)NCc2ncc[nH]2)Cl 34a_100000062009_100016991755 [0,1,0,0,0,1|2,0,0]=4 5323 B17R2.276976 Cc1ccc(c(c1F)NCc2ncc[nH]2)F 207a_102495364760_100000743867 [0,1,0,0,0,1|2,0,0]=4 5324 B17R2.276976 Cc1ccc(c(c1F)NCc2ncc[nH]2)F 2230a_102495364760_100016991755 [0,1,0,0,0,1|2,0,0]=4 5325 B17R2.276976 Cc1ccc(c(c1F)NCc2ncc[nH]2)F 34a_102495364760_100016991755 [0,1,0,0,0,1|2,0,0]=4 5326 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)Br 34a_100000722096_100016991755 [0,1,0,0,0,1|2,0,0]=4 5327 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)Br 7a_100000722096_100000753453 [0,1,0,0,0,1|2,0,0]=4 5328 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)Cl 34a_200000034537_100016991755 [0,1,0,0,0,1|2,0,0]=4 5329 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)Cl 7a_200000034537_100000753453 [0,1,0,0,0,1|2,0,0]=4 5330 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)F 34a_100011216644_100016991755 [0,1,0,0,0,1|2,0,0]=4 5331 B17R2.276976 Cc1ccc(c(c1F)OCc2ncc[nH]2)F 7a_100011216644_100000753453 [0,1,0,0,0,1|2,0,0]=4 5332 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Br 34a_200010074581_100000737910 [0,1,0,0,0,1|0,0,2]=4 5333 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Cl 34a_200020642106_100000737910 [0,1,0,0,0,1|0,0,2]=4 5334 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)I 34a_200010115591_100000737910 [0,1,0,0,0,1|0,0,2]=4 5335 B17R2.276976 Cc1ccc(c(c1NCc2c[nH]cn2)C)Br 34a_200010074581_100000707719 [0,1,0,0,0,1|2,0,0]=4 5336 B17R2.276976 Cc1ccc(c(c1NCc2c[nH]cn2)C)Cl 2230a_200020642106_100000707719 [0,1,0,0,0,1|2,0,0]=4 5337 B17R2.276976 Cc1ccc(c(c1NCc2c[nH]cn2)C)Cl 34a_200020642106_100000707719 [0,1,0,0,0,1|2,0,0]=4 5338 B17R2.276976 Cc1ccc(c(c1NCc2c[nH]cn2)C)I 34a_200010115591_100000707719 [0,1,0,0,0,1|2,0,0]=4 5339 B17R2.276976 Cc1ccc(c(c1NCc2cc[nH]n2)C)Br 207a_200010074581_100000738523 [0,1,0,0,0,1|2,0,0]=4 5340 B17R2.276976 Cc1ccc(c(c1NCc2cc[nH]n2)C)Cl 207a_200020642106_100000738523 [0,1,0,0,0,1|2,0,0]=4 5341 B17R2.276976 Cc1ccc(c(c1NCc2cc[nH]n2)C)I 207a_200010115591_100000738523 [0,1,0,0,0,1|2,0,0]=4 5342 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)Br 207a_200010074581_100000186105 [0,1,0,0,0,1|2,0,0]=4 5343 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)Br 270302a_200010074581_100000186105 [0,1,0,0,0,1|2,0,0]=4 5344 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)Cl 207a_200020642106_100000186105 [0,1,0,0,0,1|2,0,0]=4 5345 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)Cl 270302a_200020642106_100000186105 [0,1,0,0,0,1|2,0,0]=4 5346 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)I 207a_200010115591_100000186105 [0,1,0,0,0,1|2,0,0]=4 5347 B17R2.276976 Cc1ccc(c(c1NCc2ccco2)C)I 270302a_200010115591_100000186105 [0,1,0,0,0,1|2,0,0]=4 5348 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)Br 207a_200010074581_100000209959 [0,1,0,0,0,1|2,0,0]=4 5349 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)Br 270302a_200010074581_100000209959 [0,1,0,0,0,1|2,0,0]=4 5350 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)Cl 207a_200020642106_100000209959 [0,1,0,0,0,1|2,0,0]=4 5351 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)Cl 270302a_200020642106_100000209959 [0,1,0,0,0,1|2,0,0]=4 5352 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)I 207a_200010115591_100000209959 [0,1,0,0,0,1|2,0,0]=4 5353 B17R2.276976 Cc1ccc(c(c1NCc2cccs2)C)I 270302a_200010115591_100000209959 [0,1,0,0,0,1|2,0,0]=4 5354 B17R2.276976 Cc1ccc(c(c1NCc2ccn[nH]2)C)Br 34a_200010074581_100000728653 [0,1,0,0,0,1|2,0,0]=4 5355 B17R2.276976 Cc1ccc(c(c1NCc2ccn[nH]2)C)Cl 2230a_200020642106_100000728653 [0,1,0,0,0,1|2,0,0]=4 5356 B17R2.276976 Cc1ccc(c(c1NCc2ccn[nH]2)C)Cl 34a_200020642106_100000728653 [0,1,0,0,0,1|2,0,0]=4 5357 B17R2.276976 Cc1ccc(c(c1NCc2ccn[nH]2)C)I 34a_200010115591_100000728653 [0,1,0,0,0,1|2,0,0]=4 5358 B17R2.276976 Cc1ccc(c(c1NCc2ccon2)C)Br 34a_200010074581_100000234950 [0,1,0,0,0,1|2,0,0]=4 5359 B17R2.276976 Cc1ccc(c(c1NCc2ccon2)C)Cl 2230a_200020642106_100000234950 [0,1,0,0,0,1|2,0,0]=4 5360 B17R2.276976 Cc1ccc(c(c1NCc2ccon2)C)Cl 34a_200020642106_100000234950 [0,1,0,0,0,1|2,0,0]=4 5361 B17R2.276976 Cc1ccc(c(c1NCc2ccon2)C)I 34a_200010115591_100000234950 [0,1,0,0,0,1|2,0,0]=4 5362 B17R2.276976 Cc1ccc(c(c1NCc2cnc[nH]2)C)Br 207a_200010074581_100000742939 [0,1,0,0,0,1|2,0,0]=4 5363 B17R2.276976 Cc1ccc(c(c1NCc2cnc[nH]2)C)Cl 207a_200020642106_100000742939 [0,1,0,0,0,1|2,0,0]=4 5364 B17R2.276976 Cc1ccc(c(c1NCc2cnc[nH]2)C)I 207a_200010115591_100000742939 [0,1,0,0,0,1|2,0,0]=4 5365 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Br 207a_200010074581_100000743575 [0,1,0,0,0,1|2,0,0]=4 5366 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Br 270302a_200010074581_100000743575 [0,1,0,0,0,1|2,0,0]=4 5367 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Br 34a_200010074581_100000205941 [0,1,0,0,0,1|2,0,0]=4 5368 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Cl 207a_200020642106_100000743575 [0,1,0,0,0,1|2,0,0]=4 5369 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Cl 2230a_200020642106_100000205941 [0,1,0,0,0,1|2,0,0]=4 5370 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Cl 270302a_200020642106_100000743575 [0,1,0,0,0,1|2,0,0]=4 5371 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)Cl 34a_200020642106_100000205941 [0,1,0,0,0,1|2,0,0]=4 5372 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)I 207a_200010115591_100000743575 [0,1,0,0,0,1|2,0,0]=4 5373 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)I 270302a_200010115591_100000743575 [0,1,0,0,0,1|2,0,0]=4 5374 B17R2.276976 Cc1ccc(c(c1NCc2cscn2)C)I 34a_200010115591_100000205941 [0,1,0,0,0,1|2,0,0]=4 5375 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Br 207a_200010074581_100000743867 [0,1,0,0,0,1|0,0,0]=2 5376 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Br 34a_200010074581_100016991755 [0,1,0,0,0,1|0,0,0]=2 5377 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 207a_200020642106_100000743867 [0,1,0,0,0,1|0,0,0]=2 5378 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 2230a_200020642106_100016991755 [0,1,0,0,0,1|0,0,0]=2 5379 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)Cl 34a_200020642106_100016991755 [0,1,0,0,0,1|0,0,0]=2 5380 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)I 207a_200010115591_100000743867 [0,1,0,0,0,1|0,0,0]=2 5381 B17R2.276976 Cc1ccc(c(c1NCc2ncc[nH]2)C)I 34a_200010115591_100016991755 [0,1,0,0,0,1|0,0,0]=2 5382 B17R2.276976 Cc1ccc(c(c1NCc2ncco2)C)Br 34a_200010074581_103436540062 [0,1,0,0,0,1|1,0,0]=3 5383 B17R2.276976 Cc1ccc(c(c1NCc2ncco2)C)Cl 2230a_200020642106_103436540062 [0,1,0,0,0,1|1,0,0]=3 5384 B17R2.276976 Cc1ccc(c(c1NCc2ncco2)C)Cl 34a_200020642106_103436540062 [0,1,0,0,0,1|1,0,0]=3 5385 B17R2.276976 Cc1ccc(c(c1NCc2ncco2)C)I 34a_200010115591_103436540062 [0,1,0,0,0,1|1,0,0]=3 5386 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Br 207a_200010074581_100000750902 [0,1,0,0,0,1|1,0,0]=3 5387 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Br 270302a_200010074581_100000750902 [0,1,0,0,0,1|1,0,0]=3 5388 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Br 34a_200010074581_100015184050 [0,1,0,0,0,1|1,0,0]=3 5389 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Cl 207a_200020642106_100000750902 [0,1,0,0,0,1|1,0,0]=3 5390 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Cl 2230a_200020642106_100015184050 [0,1,0,0,0,1|1,0,0]=3 5391 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Cl 270302a_200020642106_100000750902 [0,1,0,0,0,1|1,0,0]=3 5392 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)Cl 34a_200020642106_100015184050 [0,1,0,0,0,1|1,0,0]=3 5393 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)I 207a_200010115591_100000750902 [0,1,0,0,0,1|1,0,0]=3 5394 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)I 270302a_200010115591_100000750902 [0,1,0,0,0,1|1,0,0]=3 5395 B17R2.276976 Cc1ccc(c(c1NCc2nccs2)C)I 34a_200010115591_100015184050 [0,1,0,0,0,1|1,0,0]=3 5396 B17R2.276976 Cc1ccc(c(c1NCc2ncon2)C)Br 34a_200010074581_100000233494 [0,1,0,0,0,1|1,0,1]=4 5397 B17R2.276976 Cc1ccc(c(c1NCc2ncon2)C)Cl 34a_200020642106_100000233494 [0,1,0,0,0,1|1,0,1]=4 5398 B17R2.276976 Cc1ccc(c(c1NCc2ncon2)C)I 34a_200010115591_100000233494 [0,1,0,0,0,1|1,0,1]=4 5399 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)Br 34a_200010074581_100000765167 [0,1,0,0,0,1|2,0,0]=4 5400 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)Cl 34a_200020642106_100000765167 [0,1,0,0,0,1|2,0,0]=4 5401 B17R2.276976 Cc1ccc(c(c1NCc2nnn[nH]2)C)I 34a_200010115591_100000765167 [0,1,0,0,0,1|2,0,0]=4 5402 B17R2.276976 Cc1ccc(c(c1OCc2ncc[nH]2)Cl)N 34a_100000036876_100016991755 [0,1,0,0,0,1|1,0,0]=3 5403 B17R2.276976 Cc1ccc(c(c1OCc2ncc[nH]2)Cl)N 7a_100000036876_100000753453 [0,1,0,0,0,1|1,0,0]=3 5404 B17R2.276976 Cc1ccc(c(c1OCc2ncco2)Cl)N 34a_100000036876_103436540062 [0,1,0,0,0,1|2,0,0]=4 5405 B17R2.276976 Cc1ccc(c(c1OCc2ncco2)Cl)N 7a_100000036876_103436540062 [0,1,0,0,0,1|2,0,0]=4 5406 B17R2.276976 Cc1ccc(c(c1OCc2nccs2)Cl)N 34a_100000036876_100015184050 [0,1,0,0,0,1|2,0,0]=4 5407 B17R2.276976 Cc1ccc(c(c1OCc2nccs2)Cl)N 7a_100000036876_100015184050 [0,1,0,0,0,1|2,0,0]=4 5408 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)F 62a_100000737910_100011068659 [0,1,0,0,0,1|0,0,2]=4 5409 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)F 62a_100011068659_100000737910 [0,1,0,0,0,1|0,0,2]=4 5410 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)N 62a_100000737910_106354213274 [0,1,0,0,0,1|0,0,2]=4 5411 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)N 62a_106354213274_100000737910 [0,1,0,0,0,1|0,0,2]=4 5412 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)O 62a_100000737910_100010659238 [0,1,0,0,0,1|0,0,2]=4 5413 B17R2.276976 Cc1ccc(c(c1SCC2=NCCN2)C)O 62a_100010659238_100000737910 [0,1,0,0,0,1|0,0,2]=4 5414 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)F 62a_100000707719_100011068659 [0,1,0,0,0,1|2,0,0]=4 5415 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)F 62a_100011068659_100000707719 [0,1,0,0,0,1|2,0,0]=4 5416 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)N 62a_100000707719_106354213274 [0,1,0,0,0,1|2,0,0]=4 5417 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)N 62a_106354213274_100000707719 [0,1,0,0,0,1|2,0,0]=4 5418 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)O 62a_100000707719_100010659238 [0,1,0,0,0,1|2,0,0]=4 5419 B17R2.276976 Cc1ccc(c(c1SCc2c[nH]cn2)C)O 62a_100010659238_100000707719 [0,1,0,0,0,1|2,0,0]=4 5420 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)F 62a_100000728653_100011068659 [0,1,0,0,0,1|2,0,0]=4 5421 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)F 62a_100011068659_100000728653 [0,1,0,0,0,1|2,0,0]=4 5422 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)N 62a_100000728653_106354213274 [0,1,0,0,0,1|2,0,0]=4 5423 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)N 62a_106354213274_100000728653 [0,1,0,0,0,1|2,0,0]=4 5424 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)O 62a_100000728653_100010659238 [0,1,0,0,0,1|2,0,0]=4 5425 B17R2.276976 Cc1ccc(c(c1SCc2ccn[nH]2)C)O 62a_100010659238_100000728653 [0,1,0,0,0,1|2,0,0]=4 5426 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)F 62a_100000234950_100011068659 [0,1,0,0,0,1|2,0,0]=4 5427 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)F 62a_100011068659_100000234950 [0,1,0,0,0,1|2,0,0]=4 5428 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)N 62a_100000234950_106354213274 [0,1,0,0,0,1|2,0,0]=4 5429 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)N 62a_106354213274_100000234950 [0,1,0,0,0,1|2,0,0]=4 5430 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)O 62a_100000234950_100010659238 [0,1,0,0,0,1|2,0,0]=4 5431 B17R2.276976 Cc1ccc(c(c1SCc2ccon2)C)O 62a_100010659238_100000234950 [0,1,0,0,0,1|2,0,0]=4 5432 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)F 62a_100000205941_100011068659 [0,1,0,0,0,1|2,0,0]=4 5433 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)F 62a_100011068659_100000205941 [0,1,0,0,0,1|2,0,0]=4 5434 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)N 62a_100000205941_106354213274 [0,1,0,0,0,1|2,0,0]=4 5435 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)N 62a_106354213274_100000205941 [0,1,0,0,0,1|2,0,0]=4 5436 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)O 62a_100000205941_100010659238 [0,1,0,0,0,1|2,0,0]=4 5437 B17R2.276976 Cc1ccc(c(c1SCc2cscn2)C)O 62a_100010659238_100000205941 [0,1,0,0,0,1|2,0,0]=4 5438 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)F 62a_100011068659_100016991755 [0,1,0,0,0,1|0,0,0]=2 5439 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)F 62a_100016991755_100011068659 [0,1,0,0,0,1|0,0,0]=2 5440 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)N 62a_100016991755_106354213274 [0,1,0,0,0,1|0,0,0]=2 5441 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)N 62a_106354213274_100016991755 [0,1,0,0,0,1|0,0,0]=2 5442 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)O 62a_100010659238_100016991755 [0,1,0,0,0,1|0,0,0]=2 5443 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)C)O 62a_100016991755_100010659238 [0,1,0,0,0,1|0,0,0]=2 5444 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)O)F 62a_100016991755_200010223207 [0,1,0,0,0,1|1,0,0]=3 5445 B17R2.276976 Cc1ccc(c(c1SCc2ncc[nH]2)O)F 62a_200010223207_100016991755 [0,1,0,0,0,1|1,0,0]=3 5446 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)F 62a_100011068659_103436540062 [0,1,0,0,0,1|1,0,0]=3 5447 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)F 62a_103436540062_100011068659 [0,1,0,0,0,1|1,0,0]=3 5448 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)N 62a_103436540062_106354213274 [0,1,0,0,0,1|1,0,0]=3 5449 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)N 62a_106354213274_103436540062 [0,1,0,0,0,1|1,0,0]=3 5450 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)O 62a_100010659238_103436540062 [0,1,0,0,0,1|1,0,0]=3 5451 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)C)O 62a_103436540062_100010659238 [0,1,0,0,0,1|1,0,0]=3 5452 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)O)F 62a_103436540062_200010223207 [0,1,0,0,0,1|2,0,0]=4 5453 B17R2.276976 Cc1ccc(c(c1SCc2ncco2)O)F 62a_200010223207_103436540062 [0,1,0,0,0,1|2,0,0]=4 5454 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)F 62a_100011068659_100015184050 [0,1,0,0,0,1|1,0,0]=3 5455 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)F 62a_100015184050_100011068659 [0,1,0,0,0,1|1,0,0]=3 5456 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)N 62a_100015184050_106354213274 [0,1,0,0,0,1|1,0,0]=3 5457 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)N 62a_106354213274_100015184050 [0,1,0,0,0,1|1,0,0]=3 5458 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)O 62a_100010659238_100015184050 [0,1,0,0,0,1|1,0,0]=3 5459 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)C)O 62a_100015184050_100010659238 [0,1,0,0,0,1|1,0,0]=3 5460 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)O)F 62a_100015184050_200010223207 [0,1,0,0,0,1|2,0,0]=4 5461 B17R2.276976 Cc1ccc(c(c1SCc2nccs2)O)F 62a_200010223207_100015184050 [0,1,0,0,0,1|2,0,0]=4 5462 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)F 62a_100000233494_100011068659 [0,1,0,0,0,1|1,0,1]=4 5463 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)F 62a_100011068659_100000233494 [0,1,0,0,0,1|1,0,1]=4 5464 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)N 62a_100000233494_106354213274 [0,1,0,0,0,1|1,0,1]=4 5465 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)N 62a_106354213274_100000233494 [0,1,0,0,0,1|1,0,1]=4 5466 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)O 62a_100000233494_100010659238 [0,1,0,0,0,1|1,0,1]=4 5467 B17R2.276976 Cc1ccc(c(c1SCc2ncon2)C)O 62a_100010659238_100000233494 [0,1,0,0,0,1|1,0,1]=4 5468 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)F 62a_100000765167_100011068659 [0,1,0,0,0,1|2,0,0]=4 5469 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)F 62a_100011068659_100000765167 [0,1,0,0,0,1|2,0,0]=4 5470 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)N 62a_100000765167_106354213274 [0,1,0,0,0,1|2,0,0]=4 5471 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)N 62a_106354213274_100000765167 [0,1,0,0,0,1|2,0,0]=4 5472 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)O 62a_100000765167_100010659238 [0,1,0,0,0,1|2,0,0]=4 5473 B17R2.276976 Cc1ccc(c(c1SCc2nnn[nH]2)C)O 62a_100010659238_100000765167 [0,1,0,0,0,1|2,0,0]=4 5474 B17R2.276976 Cc1cnc(c(c1SCc2ncc[nH]2)C)F 62a_100011016222_100016991755 [0,1,0,0,0,1|1,0,0]=3 5475 B17R2.276976 Cc1cnc(c(c1SCc2ncc[nH]2)C)F 62a_100016991755_100011016222 [0,1,0,0,0,1|1,0,0]=3 5476 B17R2.276976 Cc1cnc(c(c1SCc2ncco2)C)F 62a_100011016222_103436540062 [0,1,0,0,0,1|2,0,0]=4 5477 B17R2.276976 Cc1cnc(c(c1SCc2ncco2)C)F 62a_103436540062_100011016222 [0,1,0,0,0,1|2,0,0]=4 5478 B17R2.276976 Cc1cnc(c(c1SCc2nccs2)C)F 62a_100011016222_100015184050 [0,1,0,0,0,1|2,0,0]=4 5479 B17R2.276976 Cc1cnc(c(c1SCc2nccs2)C)F 62a_100015184050_100011016222 [0,1,0,0,0,1|2,0,0]=4 5480 B17R2.276976 Cc1ncc(c(c1SCc2ncc[nH]2)C)N 62a_100012352430_100016991755 [0,1,0,0,0,1|1,0,0]=3 5481 B17R2.276976 Cc1ncc(c(c1SCc2ncc[nH]2)C)N 62a_100016991755_100012352430 [0,1,0,0,0,1|1,0,0]=3 5482 B17R2.276976 Cc1ncc(c(c1SCc2ncco2)C)N 62a_100012352430_103436540062 [0,1,0,0,0,1|2,0,0]=4 5483 B17R2.276976 Cc1ncc(c(c1SCc2ncco2)C)N 62a_103436540062_100012352430 [0,1,0,0,0,1|2,0,0]=4 5484 B17R2.276976 Cc1ncc(c(c1SCc2nccs2)C)N 62a_100012352430_100015184050 [0,1,0,0,0,1|2,0,0]=4 5485 B17R2.276976 Cc1ncc(c(c1SCc2nccs2)C)N 62a_100015184050_100012352430 [0,1,0,0,0,1|2,0,0]=4 5486 B17R2.276976 Clc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_103437851083_100016991755 [0,1,0,0,0,1|2,0,0]=4 5487 B17R2.276976 Clc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 34a_100000042553_100016991755 [0,1,0,0,0,1|2,0,0]=4 5488 B17R2.276976 Clc1ccc(c(c1Cl)OCc2ncc[nH]2)Cl 7a_100000042553_100000753453 [0,1,0,0,0,1|2,0,0]=4 5489 B17R2.276976 Clc1ccc(c(c1Cl)SCc2ncc[nH]2)Cl 62a_100016991755_200010170825 [0,1,0,0,0,1|2,0,0]=4 5490 B17R2.276976 Clc1ccc(c(c1Cl)SCc2ncc[nH]2)Cl 62a_200010170825_100016991755 [0,1,0,0,0,1|2,0,0]=4 5491 B17R2.276976 Clc1ccc(c(c1OCc2ncc[nH]2)Cl)Br 34a_100010089855_100016991755 [0,1,0,0,0,1|2,0,0]=4 5492 B17R2.276976 Clc1ccc(c(c1OCc2ncc[nH]2)Cl)Br 7a_100010089855_100000753453 [0,1,0,0,0,1|2,0,0]=4 5493 B17R2.276976 Cn1ccc(=O)c(c1SCc2ncc[nH]2)F 62a_100016991755_200010096536 [0,1,0,0,0,1|2,0,0]=4 5494 B17R2.276976 Cn1ccc(=O)c(c1SCc2ncc[nH]2)F 62a_200010096536_100016991755 [0,1,0,0,0,1|2,0,0]=4 5495 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Br)Cl 62a_100011071994_100025796157 [0,1,0,0,0,1|2,0,0]=4 5496 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Br)Cl 62a_100025796157_100011071994 [0,1,0,0,0,1|2,0,0]=4 5497 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Cl)Br 62a_100010993448_100025796157 [0,1,0,0,0,1|2,0,0]=4 5498 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Cl)Br 62a_100025796157_100010993448 [0,1,0,0,0,1|2,0,0]=4 5499 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Cl)Cl 62a_100009814555_100025796157 [0,1,0,0,0,1|2,0,0]=4 5500 B17R2.276976 Fc1c(ccc(c1CSc2ncc[nH]2)Cl)Cl 62a_100025796157_100009814555 [0,1,0,0,0,1|2,0,0]=4 5501 B17R2.276976 Fc1c(ccc(c1NCc2ncc[nH]2)Br)Cl 34a_100011010633_100016991755 [0,1,0,0,0,1|2,0,0]=4 5502 B17R2.276976 Fc1c(ccc(c1NCc2ncc[nH]2)Cl)Br 34a_100010995236_100016991755 [0,1,0,0,0,1|2,0,0]=4 5503 B17R2.276976 Fc1c(ccc(c1NCc2ncc[nH]2)Cl)Cl 34a_200000061452_100016991755 [0,1,0,0,0,1|2,0,0]=4 5504 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Br)Cl 34a_100010081130_100016991755 [0,1,0,0,0,1|2,0,0]=4 5505 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Br)Cl 7a_100010081130_100000753453 [0,1,0,0,0,1|2,0,0]=4 5506 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Br)I 34a_200010782288_100016991755 [0,1,0,0,0,1|2,0,0]=4 5507 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Br)I 7a_200010782288_100000753453 [0,1,0,0,0,1|2,0,0]=4 5508 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Cl)Br 34a_100010240321_100016991755 [0,1,0,0,0,1|2,0,0]=4 5509 B17R2.276976 Fc1c(ccc(c1OCc2ncc[nH]2)Cl)Br 7a_100010240321_100000753453 [0,1,0,0,0,1|2,0,0]=4 5510 B17R2.276976 Fc1c(ccc(c1SCc2ncc[nH]2)Br)Cl 62a_100011084128_100016991755 [0,1,0,0,0,1|2,0,0]=4 5511 B17R2.276976 Fc1c(ccc(c1SCc2ncc[nH]2)Br)Cl 62a_100016991755_100011084128 [0,1,0,0,0,1|2,0,0]=4 5512 B17R2.276976 Fc1c(ccc(c1SCc2ncc[nH]2)Cl)Br 62a_100011092007_100016991755 [0,1,0,0,0,1|2,0,0]=4 5513 B17R2.276976 Fc1c(ccc(c1SCc2ncc[nH]2)Cl)Br 62a_100016991755_100011092007 [0,1,0,0,0,1|2,0,0]=4 5514 B17R2.276976 Fc1ccc(c(c1Br)NCc2ncc[nH]2)F 34a_100014094178_100016991755 [0,1,0,0,0,1|2,0,0]=4 5515 B17R2.276976 Fc1ccc(c(c1Br)OCc2ncc[nH]2)F 34a_100010170822_100016991755 [0,1,0,0,0,1|2,0,0]=4 5516 B17R2.276976 Fc1ccc(c(c1Br)OCc2ncc[nH]2)F 7a_100010170822_100000753453 [0,1,0,0,0,1|2,0,0]=4 5517 B17R2.276976 Fc1ccc(c(c1Br)SCc2ncc[nH]2)F 62a_100010167956_100016991755 [0,1,0,0,0,1|2,0,0]=4 5518 B17R2.276976 Fc1ccc(c(c1Br)SCc2ncc[nH]2)F 62a_100016991755_100010167956 [0,1,0,0,0,1|2,0,0]=4 5519 B17R2.276976 Fc1ccc(c(c1CSc2ncc[nH]2)Br)Cl 62a_100011099539_100025796157 [0,1,0,0,0,1|2,0,0]=4 5520 B17R2.276976 Fc1ccc(c(c1CSc2ncc[nH]2)Br)Cl 62a_100025796157_100011099539 [0,1,0,0,0,1|2,0,0]=4 5521 B17R2.276976 Fc1ccc(c(c1CSc2ncc[nH]2)F)Cl 62a_100009813610_100025796157 [0,1,0,0,0,1|2,0,0]=4 5522 B17R2.276976 Fc1ccc(c(c1CSc2ncc[nH]2)F)Cl 62a_100025796157_100009813610 [0,1,0,0,0,1|2,0,0]=4 5523 B17R2.276976 Fc1ccc(c(c1Cl)CSc2ncc[nH]2)F 62a_100009813715_100025796157 [0,1,0,0,0,1|2,0,0]=4 5524 B17R2.276976 Fc1ccc(c(c1Cl)CSc2ncc[nH]2)F 62a_100025796157_100009813715 [0,1,0,0,0,1|2,0,0]=4 5525 B17R2.276976 Fc1ccc(c(c1Cl)NCc2ncc[nH]2)F 34a_100000062006_100016991755 [0,1,0,0,0,1|2,0,0]=4 5526 B17R2.276976 Fc1ccc(c(c1Cl)OCc2ncc[nH]2)Br 34a_100014979575_100016991755 [0,1,0,0,0,1|2,0,0]=4 5527 B17R2.276976 Fc1ccc(c(c1Cl)OCc2ncc[nH]2)Br 7a_100014979575_100000753453 [0,1,0,0,0,1|2,0,0]=4 5528 B17R2.276976 Fc1ccc(c(c1Cl)OCc2ncc[nH]2)F 34a_100000038336_100016991755 [0,1,0,0,0,1|2,0,0]=4 5529 B17R2.276976 Fc1ccc(c(c1Cl)OCc2ncc[nH]2)F 7a_100000038336_100000753453 [0,1,0,0,0,1|2,0,0]=4 5530 B17R2.276976 Fc1ccc(c(c1Cl)SCc2ncc[nH]2)Br 62a_100016991755_200037249116 [0,1,0,0,0,1|2,0,0]=4 5531 B17R2.276976 Fc1ccc(c(c1Cl)SCc2ncc[nH]2)Br 62a_200037249116_100016991755 [0,1,0,0,0,1|2,0,0]=4 5532 B17R2.276976 Fc1ccc(c(c1Cl)SCc2ncc[nH]2)F 62a_100010167948_100016991755 [0,1,0,0,0,1|2,0,0]=4 5533 B17R2.276976 Fc1ccc(c(c1Cl)SCc2ncc[nH]2)F 62a_100016991755_100010167948 [0,1,0,0,0,1|2,0,0]=4 5534 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)Br 62a_100011070584_100025796157 [0,1,0,0,0,1|2,0,0]=4 5535 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)Br 62a_100025796157_100011070584 [0,1,0,0,0,1|2,0,0]=4 5536 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)Cl 62a_100010381632_100025796157 [0,1,0,0,0,1|2,0,0]=4 5537 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)Cl 62a_100025796157_100010381632 [0,1,0,0,0,1|2,0,0]=4 5538 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)F 62a_100009813269_100025796157 [0,1,0,0,0,1|2,0,0]=4 5539 B17R2.276976 Fc1ccc(c(c1F)CSc2ncc[nH]2)F 62a_100025796157_100009813269 [0,1,0,0,0,1|2,0,0]=4 5540 B17R2.276976 Fc1ccc(c(c1F)NCc2ncc[nH]2)Br 34a_100010008850_100016991755 [0,1,0,0,0,1|2,0,0]=4 5541 B17R2.276976 Fc1ccc(c(c1F)NCc2ncc[nH]2)Cl 34a_200010381624_100016991755 [0,1,0,0,0,1|2,0,0]=4 5542 B17R2.276976 Fc1ccc(c(c1F)NCc2ncc[nH]2)F 34a_100000037384_100016991755 [0,1,0,0,0,1|2,0,0]=4 5543 B17R2.276976 Fc1ccc(c(c1F)NCc2ncc[nH]2)I 34a_100015763296_100016991755 [0,1,0,0,0,1|2,0,0]=4 5544 B17R2.276976 Fc1ccc(c(c1F)OCc2ncc[nH]2)Br 34a_100010243909_100016991755 [0,1,0,0,0,1|2,0,0]=4 5545 B17R2.276976 Fc1ccc(c(c1F)OCc2ncc[nH]2)Br 7a_100010243909_100000753453 [0,1,0,0,0,1|2,0,0]=4 5546 B17R2.276976 Fc1ccc(c(c1F)OCc2ncc[nH]2)F 34a_100000031686_100016991755 [0,1,0,0,0,1|2,0,0]=4 5547 B17R2.276976 Fc1ccc(c(c1F)OCc2ncc[nH]2)F 7a_100000031686_100000753453 [0,1,0,0,0,1|2,0,0]=4 5548 B17R2.276976 Fc1ccc(c(c1F)SCc2ncc[nH]2)F 62a_100009814005_100016991755 [0,1,0,0,0,1|2,0,0]=4 5549 B17R2.276976 Fc1ccc(c(c1F)SCc2ncc[nH]2)F 62a_100016991755_100009814005 [0,1,0,0,0,1|2,0,0]=4 5550 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)Cl)Cl 34a_100000061523_100016991755 [0,1,0,0,0,1|2,0,0]=4 5551 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)F)Br 207a_100025793129_100000743867 [0,1,0,0,0,1|2,0,0]=4 5552 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)F)Br 2230a_100025793129_100016991755 [0,1,0,0,0,1|2,0,0]=4 5553 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)F)Br 34a_100025793129_100016991755 [0,1,0,0,0,1|2,0,0]=4 5554 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)F)Cl 207a_102495364764_100000743867 [0,1,0,0,0,1|2,0,0]=4 5555 B17R2.276976 Fc1ccc(c(c1NCc2ncc[nH]2)F)Cl 34a_102495364764_100016991755 [0,1,0,0,0,1|2,0,0]=4 5556 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)Cl)Cl 34a_100000062035_100016991755 [0,1,0,0,0,1|2,0,0]=4 5557 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)Cl)Cl 7a_100000062035_100000753453 [0,1,0,0,0,1|2,0,0]=4 5558 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)F)Br 34a_100010167067_100016991755 [0,1,0,0,0,1|2,0,0]=4 5559 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)F)Br 7a_100010167067_100000753453 [0,1,0,0,0,1|2,0,0]=4 5560 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)F)Cl 34a_100000034634_100016991755 [0,1,0,0,0,1|2,0,0]=4 5561 B17R2.276976 Fc1ccc(c(c1OCc2ncc[nH]2)F)Cl 7a_100000034634_100000753453 [0,1,0,0,0,1|2,0,0]=4 5562 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)Cl)Cl 62a_100016991755_200015697950 [0,1,0,0,0,1|2,0,0]=4 5563 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)Cl)Cl 62a_200015697950_100016991755 [0,1,0,0,0,1|2,0,0]=4 5564 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)F)Br 62a_100000722365_100016991755 [0,1,0,0,0,1|2,0,0]=4 5565 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)F)Br 62a_100016991755_100000722365 [0,1,0,0,0,1|2,0,0]=4 5566 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)F)Cl 62a_100016991755_200010167938 [0,1,0,0,0,1|2,0,0]=4 5567 B17R2.276976 Fc1ccc(c(c1SCc2ncc[nH]2)F)Cl 62a_200010167938_100016991755 [0,1,0,0,0,1|2,0,0]=4 5568 B17R2.276976 Nc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100014094178_100016991755 [0,1,0,0,0,1|2,0,0]=4 5569 B17R2.276976 Nc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100014094178 [0,1,0,0,0,1|2,0,0]=4 5570 B17R2.276976 Nc1ccc(c(c1F)SCc2ncc[nH]2)F 62a_100010070858_100016991755 [0,1,0,0,0,1|2,0,0]=4 5571 B17R2.276976 Nc1ccc(c(c1F)SCc2ncc[nH]2)F 62a_100016991755_100010070858 [0,1,0,0,0,1|2,0,0]=4 5572 B17R2.276976 Nc1ccc(c(c1N)SCc2ncc[nH]2)F 62a_100010128261_100016991755 [0,1,0,0,0,1|2,0,0]=4 5573 B17R2.276976 Nc1ccc(c(c1O)SCc2ncc[nH]2)F 62a_100010128263_100016991755 [0,1,0,0,0,1|2,0,0]=4 5574 B17R2.276976 Nc1ccc(c(c1O)SCc2ncc[nH]2)F 62a_100016991755_100010128263 [0,1,0,0,0,1|2,0,0]=4 5575 B17R2.276976 Nc1ccc(c(c1OCc2ncc[nH]2)Br)F 34a_100010128263_100016991755 [0,1,0,0,0,1|2,0,0]=4 5576 B17R2.276976 Nc1ccc(c(c1OCc2ncc[nH]2)Br)F 7a_100010128263_100000753453 [0,1,0,0,0,1|2,0,0]=4 5577 B17R2.276976 Nc1ccc(c(c1OCc2ncc[nH]2)F)F 34a_100015205010_100016991755 [0,1,0,0,0,1|2,0,0]=4 5578 B17R2.276976 Nc1ccc(c(c1OCc2ncc[nH]2)F)F 7a_100015205010_100000753453 [0,1,0,0,0,1|2,0,0]=4 5579 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Br)F 62a_100016991755_100020765651 [0,1,0,0,0,1|2,0,0]=4 5580 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Br)F 62a_100020765651_100016991755 [0,1,0,0,0,1|2,0,0]=4 5581 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Cl)Br 62a_100016991755_200010779962 [0,1,0,0,0,1|2,0,0]=4 5582 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Cl)Br 62a_200010779962_100016991755 [0,1,0,0,0,1|2,0,0]=4 5583 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Cl)Cl 62a_100016991755_200011093878 [0,1,0,0,0,1|2,0,0]=4 5584 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)Cl)Cl 62a_200011093878_100016991755 [0,1,0,0,0,1|2,0,0]=4 5585 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)F)Cl 62a_100010134325_100016991755 [0,1,0,0,0,1|2,0,0]=4 5586 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)F)Cl 62a_100016991755_100010134325 [0,1,0,0,0,1|2,0,0]=4 5587 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)F)F 62a_100010232473_100016991755 [0,1,0,0,0,1|2,0,0]=4 5588 B17R2.276976 Nc1ccc(c(c1SCc2ncc[nH]2)F)F 62a_100016991755_100010232473 [0,1,0,0,0,1|2,0,0]=4 5589 B17R2.276976 Oc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100010170822_100016991755 [0,1,0,0,0,1|2,0,0]=4 5590 B17R2.276976 Oc1c(ccc(c1SCc2ncc[nH]2)F)F 62a_100016991755_100010170822 [0,1,0,0,0,1|2,0,0]=4 5591 B17R2.276976 Oc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_100016988457_100016991755 [0,1,0,0,0,1|2,0,0]=4 5592 B17R2.276976 Oc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 7a_100016988457_100000753453 [0,1,0,0,0,1|2,0,0]=4 5593 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100025705407_100025796157 [0,2,0,0,0,0|2,0,0]=4 5594 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)Br)Cl 62a_100025796157_100025705407 [0,2,0,0,0,0|2,0,0]=4 5595 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)Cl)Cl 62a_100010292537_100025796157 [0,2,0,0,0,0|2,0,0]=4 5596 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)Cl)Cl 62a_100025796157_100010292537 [0,2,0,0,0,0|2,0,0]=4 5597 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)F)Br 62a_100010713143_100025796157 [0,2,0,0,0,0|2,0,0]=4 5598 B17R2.5412 COc1cc(cc(c1Sc2ncc[nH]2)F)Br 62a_100025796157_100010713143 [0,2,0,0,0,0|2,0,0]=4 5599 B17R2.5412 FCc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100160470656 [0,2,0,0,0,0|2,0,0]=4 5600 B17R2.5412 FCc1cc(cc(c1Sc2ncc[nH]2)F)F 62a_100160470656_100025796157 [0,2,0,0,0,0|2,0,0]=4 5601 B17R2.6091 COc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100012160682_100025796157 [0,2,0,0,0,0|1,0,0]=3 5602 B17R2.6091 COc1cc(c(c(c1)C)Sc2ncc[nH]2)C 62a_100025796157_100012160682 [0,2,0,0,0,0|1,0,0]=3 5603 B17R2.6091 COc1cc(c(c(c1)C)Sc2ncco2)C 62a_100011787736_100012160682 [0,2,0,0,0,0|2,0,0]=4 5604 B17R2.6091 COc1cc(c(c(c1)C)Sc2ncco2)C 62a_100012160682_100011787736 [0,2,0,0,0,0|2,0,0]=4 5605 B17R2.6091 COc1cc(c(c(c1)C)Sc2nccs2)C 62a_100000211983_100012160682 [0,2,0,0,0,0|2,0,0]=4 5606 B17R2.6091 COc1cc(c(c(c1)C)Sc2nccs2)C 62a_100012160682_100000211983 [0,2,0,0,0,0|2,0,0]=4 5607 B17R2.6091 Cc1cc(cc(c1Sc2ncc[nH]2)C)C#N 62a_100025796157_100000707521 [0,2,0,0,0,0|1,0,0]=3 5608 B17R2.6091 Cc1cc(cc(c1Sc2ncc[nH]2)C)C=O 62a_100012353953_100025796157 [0,2,0,0,0,0|1,0,0]=3 5609 B17R2.6091 Cc1cc(cc(c1Sc2ncc[nH]2)C)C=O 62a_100025796157_100012353953 [0,2,0,0,0,0|1,0,0]=3 5610 B17R2.6091 Cc1cc(cc(c1Sc2ncc[nH]2)C)CO 62a_100012339607_100025796157 [0,2,0,0,0,0|1,0,0]=3 5611 B17R2.6091 Cc1cc(cc(c1Sc2ncc[nH]2)C)CO 62a_100025796157_100012339607 [0,2,0,0,0,0|1,0,0]=3 5612 B17R2.6091 Cc1cc(cc(c1Sc2ncco2)C)C#N 62a_100011787736_100000707521 [0,2,0,0,0,0|2,0,0]=4 5613 B17R2.6091 Cc1cc(cc(c1Sc2ncco2)C)C=O 62a_100011787736_100012353953 [0,2,0,0,0,0|2,0,0]=4 5614 B17R2.6091 Cc1cc(cc(c1Sc2ncco2)C)C=O 62a_100012353953_100011787736 [0,2,0,0,0,0|2,0,0]=4 5615 B17R2.6091 Cc1cc(cc(c1Sc2ncco2)C)CO 62a_100011787736_100012339607 [0,2,0,0,0,0|2,0,0]=4 5616 B17R2.6091 Cc1cc(cc(c1Sc2ncco2)C)CO 62a_100012339607_100011787736 [0,2,0,0,0,0|2,0,0]=4 5617 B17R2.6091 Cc1cc(cc(c1Sc2nccs2)C)C#N 62a_100000211983_100000707521 [0,2,0,0,0,0|2,0,0]=4 5618 B17R2.6091 Cc1cc(cc(c1Sc2nccs2)C)C=O 62a_100000211983_100012353953 [0,2,0,0,0,0|2,0,0]=4 5619 B17R2.6091 Cc1cc(cc(c1Sc2nccs2)C)C=O 62a_100012353953_100000211983 [0,2,0,0,0,0|2,0,0]=4 5620 B17R2.6091 Cc1cc(cc(c1Sc2nccs2)C)CO 62a_100000211983_100012339607 [0,2,0,0,0,0|2,0,0]=4 5621 B17R2.6091 Cc1cc(cc(c1Sc2nccs2)C)CO 62a_100012339607_100000211983 [0,2,0,0,0,0|2,0,0]=4 5622 B17R2.38441 Cc1cc(c(c(c1)Br)Sc2nccn2C)C 62a_100000707724_200012353697 [0,2,0,0,0,0|2,0,0]=4 5623 B17R2.38441 Cc1cc(c(c(c1)Br)Sc2nccn2C)C 62a_200012353697_100000707724 [0,2,0,0,0,0|2,0,0]=4 5624 B17R2.38441 Cc1cc(c(c(c1)C)Nc2ncnn2C)C 27a_100000210045_100000732653 [0,2,0,0,0,0|2,0,0]=4 5625 B17R2.38441 Cc1cc(c(c(c1)C)Sc2nccn2C)C 62a_100000707724_100011204320 [0,2,0,0,0,0|1,0,0]=3 5626 B17R2.38441 Cc1cc(c(c(c1)C)Sc2nccn2C)C 62a_100011204320_100000707724 [0,2,0,0,0,0|1,0,0]=3 5627 B17R2.38441 Cc1cc(c(c(c1)C)Sc2ncnn2C)C 62a_100000732653_100011204320 [0,2,0,0,0,0|2,0,0]=4 5628 B17R2.38441 Cc1cc(c(c(c1)C)Sc2ncnn2C)C 62a_100011204320_100000732653 [0,2,0,0,0,0|2,0,0]=4 5629 B17R2.38441 Cc1cc(c(c(c1)O)Sc2nccn2C)C 62a_100000707724_100010342985 [0,2,0,0,0,0|2,0,0]=4 5630 B17R2.38441 Cc1cc(c(c(c1)O)Sc2nccn2C)C 62a_100010342985_100000707724 [0,2,0,0,0,0|2,0,0]=4 5631 B17R2.38441 Cc1cc(cc(c1Nc2ncnn2C)C)Br 27a_100000737279_100000732653 [0,2,0,0,0,0|2,0,0]=4 5632 B17R2.38441 Cc1cc(cc(c1Nc2ncnn2C)C)Cl 27a_100000692879_100000732653 [0,2,0,0,0,0|2,0,0]=4 5633 B17R2.38441 Cc1cc(cc(c1Nc2ncnn2C)C)F 27a_100011290887_100000732653 [0,2,0,0,0,0|2,0,0]=4 5634 B17R2.38441 Cc1cc(cc(c1Nc2ncnn2C)C)I 27a_100011356821_100000732653 [0,2,0,0,0,0|2,0,0]=4 5635 B17R2.38441 Cc1cc(cc(c1Nc2ncnn2C)C)O 27a_100011934200_100000732653 [0,2,0,0,0,0|2,0,0]=4 5636 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Br)Br 62a_100000707724_200010208242 [0,2,0,0,0,0|2,0,0]=4 5637 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Br)Br 62a_200010208242_100000707724 [0,2,0,0,0,0|2,0,0]=4 5638 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Br)F 62a_100000707724_100010208209 [0,2,0,0,0,0|2,0,0]=4 5639 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Br)F 62a_100010208209_100000707724 [0,2,0,0,0,0|2,0,0]=4 5640 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)Br 62a_100000707724_100009814048 [0,2,0,0,0,0|1,0,0]=3 5641 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)Br 62a_100009814048_100000707724 [0,2,0,0,0,0|1,0,0]=3 5642 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)Cl 62a_100000707724_100010244930 [0,2,0,0,0,0|1,0,0]=3 5643 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)Cl 62a_100010244930_100000707724 [0,2,0,0,0,0|1,0,0]=3 5644 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)F 62a_100000707724_100012356666 [0,2,0,0,0,0|1,0,0]=3 5645 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)F 62a_100012356666_100000707724 [0,2,0,0,0,0|1,0,0]=3 5646 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)N 62a_100000215964_100000707724 [0,2,0,0,0,0|1,0,0]=3 5647 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)N 62a_100000707724_100000215964 [0,2,0,0,0,0|1,0,0]=3 5648 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)O 62a_100000243743_100000707724 [0,2,0,0,0,0|1,0,0]=3 5649 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)C)O 62a_100000707724_100000243743 [0,2,0,0,0,0|1,0,0]=3 5650 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Cl)Cl 62a_100000707724_200000035511 [0,2,0,0,0,0|2,0,0]=4 5651 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Cl)Cl 62a_200000035511_100000707724 [0,2,0,0,0,0|2,0,0]=4 5652 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Cl)F 62a_100000707724_100010079234 [0,2,0,0,0,0|2,0,0]=4 5653 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)Cl)F 62a_100010079234_100000707724 [0,2,0,0,0,0|2,0,0]=4 5654 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)F)F 62a_100000707724_100015332101 [0,2,0,0,0,0|2,0,0]=4 5655 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)F)F 62a_100015332101_100000707724 [0,2,0,0,0,0|2,0,0]=4 5656 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)F)N 62a_100000707724_100010115923 [0,2,0,0,0,0|2,0,0]=4 5657 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)F)N 62a_100010115923_100000707724 [0,2,0,0,0,0|2,0,0]=4 5658 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)N)Cl 62a_100000698757_100000707724 [0,2,0,0,0,0|2,0,0]=4 5659 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)N)Cl 62a_100000707724_100000698757 [0,2,0,0,0,0|2,0,0]=4 5660 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)O)Cl 62a_100000707724_100010254216 [0,2,0,0,0,0|2,0,0]=4 5661 B17R2.38441 Cc1cc(cc(c1Sc2nccn2C)O)Cl 62a_100010254216_100000707724 [0,2,0,0,0,0|2,0,0]=4 5662 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)Br 62a_100000732653_100009814048 [0,2,0,0,0,0|2,0,0]=4 5663 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)Br 62a_100009814048_100000732653 [0,2,0,0,0,0|2,0,0]=4 5664 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)Cl 62a_100000732653_100010244930 [0,2,0,0,0,0|2,0,0]=4 5665 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)Cl 62a_100010244930_100000732653 [0,2,0,0,0,0|2,0,0]=4 5666 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)F 62a_100000732653_100012356666 [0,2,0,0,0,0|2,0,0]=4 5667 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)F 62a_100012356666_100000732653 [0,2,0,0,0,0|2,0,0]=4 5668 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)N 62a_100000215964_100000732653 [0,2,0,0,0,0|2,0,0]=4 5669 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)N 62a_100000732653_100000215964 [0,2,0,0,0,0|2,0,0]=4 5670 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)O 62a_100000243743_100000732653 [0,2,0,0,0,0|2,0,0]=4 5671 B17R2.38441 Cc1cc(cc(c1Sc2ncnn2C)C)O 62a_100000732653_100000243743 [0,2,0,0,0,0|2,0,0]=4 5672 B17R2.38441 Cc1cc(nc(c1Sc2nccn2C)C)N 62a_100000699364_100000707724 [0,2,0,0,0,0|2,0,0]=4 5673 B17R2.38441 Cc1cc(nc(c1Sc2nccn2C)C)N 62a_100000707724_100000699364 [0,2,0,0,0,0|2,0,0]=4 5674 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2ncc[nH]2)C 62a_100010738083_100025796157 [0,2,0,0,0,0|1,0,0]=3 5675 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2ncc[nH]2)C 62a_100025796157_100010738083 [0,2,0,0,0,0|1,0,0]=3 5676 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2ncco2)C 62a_100010738083_100011787736 [0,2,0,0,0,0|2,0,0]=4 5677 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2ncco2)C 62a_100011787736_100010738083 [0,2,0,0,0,0|2,0,0]=4 5678 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2nccs2)C 62a_100000211983_100010738083 [0,2,0,0,0,0|2,0,0]=4 5679 B17R2.83652 Cc1cc(c(c(c1F)C)Sc2nccs2)C 62a_100010738083_100000211983 [0,2,0,0,0,0|2,0,0]=4 5680 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2ncc[nH]2)C 62a_100011215665_100025796157 [0,2,0,0,0,0|1,0,0]=3 5681 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2ncc[nH]2)C 62a_100025796157_100011215665 [0,2,0,0,0,0|1,0,0]=3 5682 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2ncco2)C 62a_100011215665_100011787736 [0,2,0,0,0,0|2,0,0]=4 5683 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2ncco2)C 62a_100011787736_100011215665 [0,2,0,0,0,0|2,0,0]=4 5684 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2nccs2)C 62a_100000211983_100011215665 [0,2,0,0,0,0|2,0,0]=4 5685 B17R2.83652 Cc1cc(c(c(c1N)C)Sc2nccs2)C 62a_100011215665_100000211983 [0,2,0,0,0,0|2,0,0]=4 5686 B17R2.83652 Cc1cc(c(c(c1Sc2ncc[nH]2)C)C)O 62a_100000730119_100025796157 [0,2,0,0,0,0|1,0,0]=3 5687 B17R2.83652 Cc1cc(c(c(c1Sc2ncc[nH]2)C)C)O 62a_100025796157_100000730119 [0,2,0,0,0,0|1,0,0]=3 5688 B17R2.83652 Cc1cc(c(c(c1Sc2ncco2)C)C)O 62a_100000730119_100011787736 [0,2,0,0,0,0|2,0,0]=4 5689 B17R2.83652 Cc1cc(c(c(c1Sc2ncco2)C)C)O 62a_100011787736_100000730119 [0,2,0,0,0,0|2,0,0]=4 5690 B17R2.83652 Cc1cc(c(c(c1Sc2nccs2)C)C)O 62a_100000211983_100000730119 [0,2,0,0,0,0|2,0,0]=4 5691 B17R2.83652 Cc1cc(c(c(c1Sc2nccs2)C)C)O 62a_100000730119_100000211983 [0,2,0,0,0,0|2,0,0]=4 5692 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Br)Br)C 62a_100161115468_200010208242 [0,2,0,0,0,0|2,0,0]=4 5693 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Br)Br)C 62a_200010208242_100161115468 [0,2,0,0,0,0|2,0,0]=4 5694 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Br)F)C 62a_100010208209_100161115468 [0,2,0,0,0,0|2,0,0]=4 5695 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Br)F)C 62a_100161115468_100010208209 [0,2,0,0,0,0|2,0,0]=4 5696 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)Br)C 62a_100009814048_100161115468 [0,2,0,0,0,0|1,0,0]=3 5697 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)Br)C 62a_100161115468_100009814048 [0,2,0,0,0,0|1,0,0]=3 5698 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)Cl)C 62a_100010244930_100161115468 [0,2,0,0,0,0|1,0,0]=3 5699 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)Cl)C 62a_100161115468_100010244930 [0,2,0,0,0,0|1,0,0]=3 5700 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)F)C 62a_100012356666_100161115468 [0,2,0,0,0,0|1,0,0]=3 5701 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)F)C 62a_100161115468_100012356666 [0,2,0,0,0,0|1,0,0]=3 5702 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)N)C 62a_100000215964_100161115468 [0,2,0,0,0,0|1,0,0]=3 5703 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)N)C 62a_100161115468_100000215964 [0,2,0,0,0,0|1,0,0]=3 5704 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)O)C 62a_100000243743_100161115468 [0,2,0,0,0,0|1,0,0]=3 5705 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2C)O)C 62a_100161115468_100000243743 [0,2,0,0,0,0|1,0,0]=3 5706 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Cl)Cl)C 62a_100161115468_200000035511 [0,2,0,0,0,0|2,0,0]=4 5707 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Cl)Cl)C 62a_200000035511_100161115468 [0,2,0,0,0,0|2,0,0]=4 5708 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Cl)F)C 62a_100010079234_100161115468 [0,2,0,0,0,0|2,0,0]=4 5709 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2Cl)F)C 62a_100161115468_100010079234 [0,2,0,0,0,0|2,0,0]=4 5710 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2F)F)C 62a_100015332101_100161115468 [0,2,0,0,0,0|2,0,0]=4 5711 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2F)F)C 62a_100161115468_100015332101 [0,2,0,0,0,0|2,0,0]=4 5712 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2F)N)C 62a_100010115923_100161115468 [0,2,0,0,0,0|2,0,0]=4 5713 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2F)N)C 62a_100161115468_100010115923 [0,2,0,0,0,0|2,0,0]=4 5714 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2N)Cl)C 62a_100000698757_100161115468 [0,2,0,0,0,0|2,0,0]=4 5715 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2N)Cl)C 62a_100161115468_100000698757 [0,2,0,0,0,0|2,0,0]=4 5716 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2O)Cl)C 62a_100010254216_100161115468 [0,2,0,0,0,0|2,0,0]=4 5717 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(cc2O)Cl)C 62a_100161115468_100010254216 [0,2,0,0,0,0|2,0,0]=4 5718 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(nc2C)N)C 62a_100000699364_100161115468 [0,2,0,0,0,0|2,0,0]=4 5719 B17R2.146766 Cc1c[nH]c(n1)Sc2c(cc(nc2C)N)C 62a_100161115468_100000699364 [0,2,0,0,0,0|2,0,0]=4 5720 B17R2.146766 Cc1cc(c(c(c1)Br)Sc2nc(c[nH]2)C)C 62a_100161115468_200012353697 [0,2,0,0,0,0|2,0,0]=4 5721 B17R2.146766 Cc1cc(c(c(c1)Br)Sc2nc(c[nH]2)C)C 62a_200012353697_100161115468 [0,2,0,0,0,0|2,0,0]=4 5722 B17R2.146766 Cc1cc(c(c(c1)C)Cc2nc(no2)C)C 270196a_100000212224_100000696705 [0,2,0,0,0,0|2,0,0]=4 5723 B17R2.146766 Cc1cc(c(c(c1)C)Cc2noc(n2)C)C 270196a_100000691328_100000070787 [0,2,0,0,0,0|1,0,1]=4 5724 B17R2.146766 Cc1cc(c(c(c1)C)Cc2noc(n2)O)C 270196a_100000691328_100015183105 [0,2,0,0,0,0|1,0,1]=4 5725 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(c[nH]2)C)C 62a_100011204320_100161115468 [0,2,0,0,0,0|1,0,0]=3 5726 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(c[nH]2)C)C 62a_100161115468_100011204320 [0,2,0,0,0,0|1,0,0]=3 5727 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)Br)C 62a_100011204320_200016082925 [0,2,0,0,0,0|2,0,0]=4 5728 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)Br)C 62a_200016082925_100011204320 [0,2,0,0,0,0|2,0,0]=4 5729 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)C)C 62a_100011204320_100011291629 [0,2,0,0,0,0|2,0,0]=4 5730 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)C)C 62a_100011291629_100011204320 [0,2,0,0,0,0|2,0,0]=4 5731 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)N)C 62a_100011204320_200015188442 [0,2,0,0,0,0|2,0,0]=4 5732 B17R2.146766 Cc1cc(c(c(c1)C)Sc2nc(cs2)N)C 62a_200015188442_100011204320 [0,2,0,0,0,0|2,0,0]=4 5733 B17R2.146766 Cc1cc(c(c(c1)C)Sc2ncc(s2)C)C 62a_100000690809_100011204320 [0,2,0,0,0,0|2,0,0]=4 5734 B17R2.146766 Cc1cc(c(c(c1)C)Sc2ncc(s2)C)C 62a_100011204320_100000690809 [0,2,0,0,0,0|2,0,0]=4 5735 B17R2.146766 Cc1cc(c(c(c1)O)Sc2nc(c[nH]2)C)C 62a_100010342985_100161115468 [0,2,0,0,0,0|2,0,0]=4 5736 B17R2.146766 Cc1cc(c(c(c1)O)Sc2nc(c[nH]2)C)C 62a_100161115468_100010342985 [0,2,0,0,0,0|2,0,0]=4 5737 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)Br 62a_100009814048_200016082925 [0,2,0,0,0,0|2,0,0]=4 5738 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)Br 62a_200016082925_100009814048 [0,2,0,0,0,0|2,0,0]=4 5739 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)Cl 62a_100010244930_200016082925 [0,2,0,0,0,0|2,0,0]=4 5740 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)Cl 62a_200016082925_100010244930 [0,2,0,0,0,0|2,0,0]=4 5741 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)F 62a_100012356666_200016082925 [0,2,0,0,0,0|2,0,0]=4 5742 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)F 62a_200016082925_100012356666 [0,2,0,0,0,0|2,0,0]=4 5743 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)N 62a_100000215964_200016082925 [0,2,0,0,0,0|2,0,0]=4 5744 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)N 62a_200016082925_100000215964 [0,2,0,0,0,0|2,0,0]=4 5745 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)O 62a_100000243743_200016082925 [0,2,0,0,0,0|2,0,0]=4 5746 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)Br)C)O 62a_200016082925_100000243743 [0,2,0,0,0,0|2,0,0]=4 5747 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)Br 62a_100009814048_200015188442 [0,2,0,0,0,0|2,0,0]=4 5748 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)Br 62a_200015188442_100009814048 [0,2,0,0,0,0|2,0,0]=4 5749 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)Cl 62a_100010244930_200015188442 [0,2,0,0,0,0|2,0,0]=4 5750 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)Cl 62a_200015188442_100010244930 [0,2,0,0,0,0|2,0,0]=4 5751 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)F 62a_100012356666_200015188442 [0,2,0,0,0,0|2,0,0]=4 5752 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)F 62a_200015188442_100012356666 [0,2,0,0,0,0|2,0,0]=4 5753 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)N 62a_100000215964_200015188442 [0,2,0,0,0,0|2,0,0]=4 5754 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)N 62a_200015188442_100000215964 [0,2,0,0,0,0|2,0,0]=4 5755 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)O 62a_100000243743_200015188442 [0,2,0,0,0,0|2,0,0]=4 5756 B17R2.146766 Cc1cc(cc(c1Sc2nc(cs2)N)C)O 62a_200015188442_100000243743 [0,2,0,0,0,0|2,0,0]=4 5757 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)Br)C 62a_100000690809_100009814048 [0,2,0,0,0,0|2,0,0]=4 5758 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)Br)C 62a_100009814048_100000690809 [0,2,0,0,0,0|2,0,0]=4 5759 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)Cl)C 62a_100000690809_100010244930 [0,2,0,0,0,0|2,0,0]=4 5760 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)Cl)C 62a_100010244930_100000690809 [0,2,0,0,0,0|2,0,0]=4 5761 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)F)C 62a_100000690809_100012356666 [0,2,0,0,0,0|2,0,0]=4 5762 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)F)C 62a_100012356666_100000690809 [0,2,0,0,0,0|2,0,0]=4 5763 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)N)C 62a_100000215964_100000690809 [0,2,0,0,0,0|2,0,0]=4 5764 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)N)C 62a_100000690809_100000215964 [0,2,0,0,0,0|2,0,0]=4 5765 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)O)C 62a_100000243743_100000690809 [0,2,0,0,0,0|2,0,0]=4 5766 B17R2.146766 Cc1cnc(s1)Sc2c(cc(cc2C)O)C 62a_100000690809_100000243743 [0,2,0,0,0,0|2,0,0]=4 5767 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)Br)C 62a_100009814048_100011291629 [0,2,0,0,0,0|2,0,0]=4 5768 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)Br)C 62a_100011291629_100009814048 [0,2,0,0,0,0|2,0,0]=4 5769 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)Cl)C 62a_100010244930_100011291629 [0,2,0,0,0,0|2,0,0]=4 5770 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)Cl)C 62a_100011291629_100010244930 [0,2,0,0,0,0|2,0,0]=4 5771 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)F)C 62a_100011291629_100012356666 [0,2,0,0,0,0|2,0,0]=4 5772 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)F)C 62a_100012356666_100011291629 [0,2,0,0,0,0|2,0,0]=4 5773 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)N)C 62a_100000215964_100011291629 [0,2,0,0,0,0|2,0,0]=4 5774 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)N)C 62a_100011291629_100000215964 [0,2,0,0,0,0|2,0,0]=4 5775 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)O)C 62a_100000243743_100011291629 [0,2,0,0,0,0|2,0,0]=4 5776 B17R2.146766 Cc1csc(n1)Sc2c(cc(cc2C)O)C 62a_100011291629_100000243743 [0,2,0,0,0,0|2,0,0]=4 5777 B17R2.10755 CCc1nc(no1)Cc2c(cccc2C)C 270196a_200011933933_100000210414 [0,2,0,0,0,0|1,0,1]=4 5778 B17R2.10755 CCc1noc(n1)Cc2c(cccc2C)C 270196a_200000212204_100000689862 [0,2,0,0,0,0|2,0,0]=4 5779 B17R2.10755 Cc1cccc(c1Cc2nc(no2)CF)C 270196a_200000032654_100000689862 [0,2,0,0,0,0|2,0,0]=4 5780 B17R2.10755 Cc1cccc(c1Cc2noc(n2)CO)C 270196a_200011933933_100000210174 [0,2,0,0,0,0|1,0,1]=4 5781 B17R2.10755 Cc1cccc(c1Nc2nc(cs2)C#N)C 27a_100000185769_100009819631 [0,2,0,0,0,0|2,0,0]=4 5782 B17R2.10755 Cc1cccc(c1Nc2nc(n[nH]2)C#N)C 27a_100000185769_200010752602 [0,2,0,0,0,0|2,0,0]=4 5783 B17R2.10755 Cc1cccc(c1Nc2ncc(s2)C#N)C 27a_100000185769_100009819632 [0,2,0,0,0,0|2,0,0]=4 5784 B17R2.10755 Cc1cccc(c1Nc2ncc(s2)C=O)C 27a_100000185769_100009814069 [0,2,0,0,0,0|2,0,0]=4 5785 B17R2.10755 Cc1cccc(c1Sc2cc(c[nH]2)C=O)C 62a_100000033847_100009882863 [0,2,0,0,0,0|2,0,0]=4 5786 B17R2.10755 Cc1cccc(c1Sc2cc(c[nH]2)C=O)C 62a_100009882863_100000033847 [0,2,0,0,0,0|2,0,0]=4 5787 B17R2.10755 Cc1cccc(c1Sc2ccc([nH]2)C=O)C 62a_100000033847_100009875417 [0,2,0,0,0,0|2,0,0]=4 5788 B17R2.10755 Cc1cccc(c1Sc2nc(cs2)C#N)C 62a_100000033847_100009819631 [0,2,0,0,0,0|2,0,0]=4 5789 B17R2.10755 Cc1cccc(c1Sc2nc(cs2)C=O)C 62a_100000033847_100009816748 [0,2,0,0,0,0|2,0,0]=4 5790 B17R2.10755 Cc1cccc(c1Sc2nc(cs2)C=O)C 62a_100009816748_100000033847 [0,2,0,0,0,0|2,0,0]=4 5791 B17R2.10755 Cc1cccc(c1Sc2nc(cs2)CO)C 62a_100000033847_100009816749 [0,2,0,0,0,0|2,0,0]=4 5792 B17R2.10755 Cc1cccc(c1Sc2nc(cs2)CO)C 62a_100009816749_100000033847 [0,2,0,0,0,0|2,0,0]=4 5793 B17R2.10755 Cc1cccc(c1Sc2nc(n[nH]2)C#N)C 62a_100000033847_200010752602 [0,2,0,0,0,0|2,0,0]=4 5794 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)C#N)C 62a_100000033847_100009819632 [0,2,0,0,0,0|2,0,0]=4 5795 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)C=O)C 62a_100000033847_100009814069 [0,2,0,0,0,0|2,0,0]=4 5796 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)C=O)C 62a_100009814069_100000033847 [0,2,0,0,0,0|2,0,0]=4 5797 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)CN)C 62a_100000033847_100000726991 [0,2,0,0,0,0|2,0,0]=4 5798 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)CN)C 62a_100000726991_100000033847 [0,2,0,0,0,0|2,0,0]=4 5799 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)CO)C 62a_100000033847_100009816753 [0,2,0,0,0,0|2,0,0]=4 5800 B17R2.10755 Cc1cccc(c1Sc2ncc(s2)CO)C 62a_100009816753_100000033847 [0,2,0,0,0,0|2,0,0]=4 5801 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)F)C 62a_100011068659_100161115468 [0,2,0,0,0,0|1,0,0]=3 5802 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)F)C 62a_100161115468_100011068659 [0,2,0,0,0,0|1,0,0]=3 5803 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)F)F 62a_100010167959_100161115468 [0,2,0,0,0,0|2,0,0]=4 5804 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)F)F 62a_100161115468_100010167959 [0,2,0,0,0,0|2,0,0]=4 5805 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)N)C 62a_100161115468_106354213274 [0,2,0,0,0,0|1,0,0]=3 5806 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)N)C 62a_106354213274_100161115468 [0,2,0,0,0,0|1,0,0]=3 5807 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)O)C 62a_100010659238_100161115468 [0,2,0,0,0,0|1,0,0]=3 5808 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2C)O)C 62a_100161115468_100010659238 [0,2,0,0,0,0|1,0,0]=3 5809 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2O)F)C 62a_100161115468_200010223207 [0,2,0,0,0,0|2,0,0]=4 5810 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ccc(c2O)F)C 62a_200010223207_100161115468 [0,2,0,0,0,0|2,0,0]=4 5811 B17R2.18781 Cc1c[nH]c(n1)Sc2c(cnc(c2C)F)C 62a_100011016222_100161115468 [0,2,0,0,0,0|2,0,0]=4 5812 B17R2.18781 Cc1c[nH]c(n1)Sc2c(cnc(c2C)F)C 62a_100161115468_100011016222 [0,2,0,0,0,0|2,0,0]=4 5813 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ncc(c2C)N)C 62a_100012352430_100161115468 [0,2,0,0,0,0|2,0,0]=4 5814 B17R2.18781 Cc1c[nH]c(n1)Sc2c(ncc(c2C)N)C 62a_100161115468_100012352430 [0,2,0,0,0,0|2,0,0]=4 5815 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)F 62a_100011068659_200016082925 [0,2,0,0,0,0|2,0,0]=4 5816 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)F 62a_200016082925_100011068659 [0,2,0,0,0,0|2,0,0]=4 5817 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)N 62a_106354213274_200016082925 [0,2,0,0,0,0|2,0,0]=4 5818 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)N 62a_200016082925_106354213274 [0,2,0,0,0,0|2,0,0]=4 5819 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)O 62a_100010659238_200016082925 [0,2,0,0,0,0|2,0,0]=4 5820 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)Br)C)O 62a_200016082925_100010659238 [0,2,0,0,0,0|2,0,0]=4 5821 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)F 62a_100011068659_200015188442 [0,2,0,0,0,0|2,0,0]=4 5822 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)F 62a_200015188442_100011068659 [0,2,0,0,0,0|2,0,0]=4 5823 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)N 62a_106354213274_200015188442 [0,2,0,0,0,0|2,0,0]=4 5824 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)N 62a_200015188442_106354213274 [0,2,0,0,0,0|2,0,0]=4 5825 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)O 62a_100010659238_200015188442 [0,2,0,0,0,0|2,0,0]=4 5826 B17R2.18781 Cc1ccc(c(c1Sc2nc(cs2)N)C)O 62a_200015188442_100010659238 [0,2,0,0,0,0|2,0,0]=4 5827 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)F)C 62a_100000690809_100011068659 [0,2,0,0,0,0|2,0,0]=4 5828 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)F)C 62a_100011068659_100000690809 [0,2,0,0,0,0|2,0,0]=4 5829 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)N)C 62a_100000690809_106354213274 [0,2,0,0,0,0|2,0,0]=4 5830 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)N)C 62a_106354213274_100000690809 [0,2,0,0,0,0|2,0,0]=4 5831 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)O)C 62a_100000690809_100010659238 [0,2,0,0,0,0|2,0,0]=4 5832 B17R2.18781 Cc1cnc(s1)Sc2c(ccc(c2C)O)C 62a_100010659238_100000690809 [0,2,0,0,0,0|2,0,0]=4 5833 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)F)C 62a_100011068659_100011291629 [0,2,0,0,0,0|2,0,0]=4 5834 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)F)C 62a_100011291629_100011068659 [0,2,0,0,0,0|2,0,0]=4 5835 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)N)C 62a_100011291629_106354213274 [0,2,0,0,0,0|2,0,0]=4 5836 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)N)C 62a_106354213274_100011291629 [0,2,0,0,0,0|2,0,0]=4 5837 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)O)C 62a_100010659238_100011291629 [0,2,0,0,0,0|2,0,0]=4 5838 B17R2.18781 Cc1csc(n1)Sc2c(ccc(c2C)O)C 62a_100011291629_100010659238 [0,2,0,0,0,0|2,0,0]=4 5839 B17R2.24115 Cc1cccc(c1Nc2nc(c(s2)C)C)C 27a_100000185769_100000765934 [0,2,0,0,0,0|2,0,0]=4 5840 B17R2.24115 Cc1cccc(c1Sc2nc(c(s2)C)C)C 62a_100000033847_100000765934 [0,2,0,0,0,0|2,0,0]=4 5841 B17R2.24115 Cc1cccc(c1Sc2nc(c(s2)C)C)C 62a_100000765934_100000033847 [0,2,0,0,0,0|2,0,0]=4 5842 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2Br)C)C 62a_100009816808_100010141302 [0,2,0,0,0,0|2,0,0]=4 5843 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2Br)C)C 62a_100010141302_100009816808 [0,2,0,0,0,0|2,0,0]=4 5844 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2C)C)C 62a_100000033847_100009816808 [0,2,0,0,0,0|1,0,0]=3 5845 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2C)C)C 62a_100009816808_100000033847 [0,2,0,0,0,0|1,0,0]=3 5846 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2Cl)C)C 62a_100000043165_100009816808 [0,2,0,0,0,0|2,0,0]=4 5847 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2Cl)C)C 62a_100009816808_100000043165 [0,2,0,0,0,0|2,0,0]=4 5848 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2F)C)C 62a_100009816808_100011218421 [0,2,0,0,0,0|2,0,0]=4 5849 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2F)C)C 62a_100011218421_100009816808 [0,2,0,0,0,0|2,0,0]=4 5850 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2N)C)C 62a_100000684715_100009816808 [0,2,0,0,0,0|2,0,0]=4 5851 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2N)C)C 62a_100009816808_100000684715 [0,2,0,0,0,0|2,0,0]=4 5852 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2O)C)C 62a_100000686692_100009816808 [0,2,0,0,0,0|2,0,0]=4 5853 B17R2.24116 Cc1cn(c(n1)Sc2c(cccc2O)C)C 62a_100009816808_100000686692 [0,2,0,0,0,0|2,0,0]=4 5854 B17R2.24116 Cc1cn(c(n1)Sc2c(ccnc2C)C)C 62a_100009816808_100012000501 [0,2,0,0,0,0|2,0,0]=4 5855 B17R2.24116 Cc1cn(c(n1)Sc2c(ccnc2C)C)C 62a_100012000501_100009816808 [0,2,0,0,0,0|2,0,0]=4 5856 B17R2.24116 Cc1cn(c(n1)Sc2c(cncc2C)C)C 62a_100009816808_100009817138 [0,2,0,0,0,0|2,0,0]=4 5857 B17R2.24116 Cc1cn(c(n1)Sc2c(cncc2C)C)C 62a_100009817138_100009816808 [0,2,0,0,0,0|2,0,0]=4 5858 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)Br 62a_100009816807_100010141302 [0,2,0,0,0,0|2,0,0]=4 5859 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)Br 62a_100010141302_100009816807 [0,2,0,0,0,0|2,0,0]=4 5860 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)C 62a_100000033847_100009816807 [0,2,0,0,0,0|1,0,0]=3 5861 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)C 62a_100009816807_100000033847 [0,2,0,0,0,0|1,0,0]=3 5862 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)Cl 62a_100000043165_100009816807 [0,2,0,0,0,0|2,0,0]=4 5863 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)Cl 62a_100009816807_100000043165 [0,2,0,0,0,0|2,0,0]=4 5864 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)F 62a_100009816807_100011218421 [0,2,0,0,0,0|2,0,0]=4 5865 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)F 62a_100011218421_100009816807 [0,2,0,0,0,0|2,0,0]=4 5866 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)N 62a_100000684715_100009816807 [0,2,0,0,0,0|2,0,0]=4 5867 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)N 62a_100009816807_100000684715 [0,2,0,0,0,0|2,0,0]=4 5868 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)O 62a_100000686692_100009816807 [0,2,0,0,0,0|2,0,0]=4 5869 B17R2.41743 Cc1cccc(c1Sc2ncc(n2C)C)O 62a_100009816807_100000686692 [0,2,0,0,0,0|2,0,0]=4 5870 B17R2.41743 Cc1ccnc(c1Sc2ncc(n2C)C)C 62a_100009816807_100012000501 [0,2,0,0,0,0|2,0,0]=4 5871 B17R2.41743 Cc1ccnc(c1Sc2ncc(n2C)C)C 62a_100012000501_100009816807 [0,2,0,0,0,0|2,0,0]=4 5872 B17R2.41743 Cc1cncc(c1Sc2ncc(n2C)C)C 62a_100009816807_100009817138 [0,2,0,0,0,0|2,0,0]=4 5873 B17R2.41743 Cc1cncc(c1Sc2ncc(n2C)C)C 62a_100009817138_100009816807 [0,2,0,0,0,0|2,0,0]=4 5874 B17R2.71187 CCc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100000036235_100161115468 [0,2,0,0,0,0|1,0,0]=3 5875 B17R2.71187 CCc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100161115468_100000036235 [0,2,0,0,0,0|1,0,0]=3 5876 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)Br)C 62a_100000036235_200016082925 [0,2,0,0,0,0|2,0,0]=4 5877 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)Br)C 62a_200016082925_100000036235 [0,2,0,0,0,0|2,0,0]=4 5878 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)C)C 62a_100000036235_100011291629 [0,2,0,0,0,0|2,0,0]=4 5879 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)C)C 62a_100011291629_100000036235 [0,2,0,0,0,0|2,0,0]=4 5880 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)N)C 62a_100000036235_200015188442 [0,2,0,0,0,0|2,0,0]=4 5881 B17R2.71187 CCc1cccc(c1Sc2nc(cs2)N)C 62a_200015188442_100000036235 [0,2,0,0,0,0|2,0,0]=4 5882 B17R2.71187 CCc1cccc(c1Sc2ncc(s2)C)C 62a_100000036235_100000690809 [0,2,0,0,0,0|2,0,0]=4 5883 B17R2.71187 CCc1cccc(c1Sc2ncc(s2)C)C 62a_100000690809_100000036235 [0,2,0,0,0,0|2,0,0]=4 5884 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)Br 62a_100010131421_100161115468 [0,2,0,0,0,0|2,0,0]=4 5885 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)Br 62a_100161115468_100010131421 [0,2,0,0,0,0|2,0,0]=4 5886 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100010191535_100161115468 [0,2,0,0,0,0|1,0,0]=3 5887 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)C 62a_100161115468_100010191535 [0,2,0,0,0,0|1,0,0]=3 5888 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)F 62a_100000703912_100161115468 [0,2,0,0,0,0|2,0,0]=4 5889 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)F 62a_100161115468_100000703912 [0,2,0,0,0,0|2,0,0]=4 5890 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)N 62a_100000703447_100161115468 [0,2,0,0,0,0|2,0,0]=4 5891 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)N 62a_100161115468_100000703447 [0,2,0,0,0,0|2,0,0]=4 5892 B17R2.71187 COc1cccc(c1Sc2nc(c[nH]2)C)O 62a_100161115468_100010202623 [0,2,0,0,0,0|2,0,0]=4 5893 B17R2.71187 COc1cccc(c1Sc2nc(cs2)Br)C 62a_100010191535_200016082925 [0,2,0,0,0,0|2,0,0]=4 5894 B17R2.71187 COc1cccc(c1Sc2nc(cs2)Br)C 62a_200016082925_100010191535 [0,2,0,0,0,0|2,0,0]=4 5895 B17R2.71187 COc1cccc(c1Sc2nc(cs2)C)C 62a_100010191535_100011291629 [0,2,0,0,0,0|2,0,0]=4 5896 B17R2.71187 COc1cccc(c1Sc2nc(cs2)C)C 62a_100011291629_100010191535 [0,2,0,0,0,0|2,0,0]=4 5897 B17R2.71187 COc1cccc(c1Sc2nc(cs2)N)C 62a_100010191535_200015188442 [0,2,0,0,0,0|2,0,0]=4 5898 B17R2.71187 COc1cccc(c1Sc2nc(cs2)N)C 62a_200015188442_100010191535 [0,2,0,0,0,0|2,0,0]=4 5899 B17R2.71187 COc1cccc(c1Sc2ncc(s2)C)C 62a_100000690809_100010191535 [0,2,0,0,0,0|2,0,0]=4 5900 B17R2.71187 COc1cccc(c1Sc2ncc(s2)C)C 62a_100010191535_100000690809 [0,2,0,0,0,0|2,0,0]=4 5901 B17R2.71187 COc1nccc(c1Sc2nc(c[nH]2)C)C 62a_100012353928_100161115468 [0,2,0,0,0,0|2,0,0]=4 5902 B17R2.71187 COc1nccc(c1Sc2nc(c[nH]2)C)C 62a_100161115468_100012353928 [0,2,0,0,0,0|2,0,0]=4 5903 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2C#N)C 62a_100161115468_100011934862 [0,2,0,0,0,0|1,0,1]=4 5904 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2C=O)C 62a_100012186367_100161115468 [0,2,0,0,0,0|1,0,1]=4 5905 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2C=O)C 62a_100161115468_100012186367 [0,2,0,0,0,0|1,0,1]=4 5906 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CN)F 62a_100020638964_100161115468 [0,2,0,0,0,0|2,0,0]=4 5907 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CN)F 62a_100161115468_100020638964 [0,2,0,0,0,0|2,0,0]=4 5908 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)Br 62a_100010146604_100161115468 [0,2,0,0,0,0|2,0,0]=4 5909 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)Br 62a_100161115468_100010146604 [0,2,0,0,0,0|2,0,0]=4 5910 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)C 62a_100011659289_100161115468 [0,2,0,0,0,0|1,0,0]=3 5911 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)C 62a_100161115468_100011659289 [0,2,0,0,0,0|1,0,0]=3 5912 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)F 62a_100012351117_100161115468 [0,2,0,0,0,0|2,0,0]=4 5913 B17R2.71187 Cc1c[nH]c(n1)Sc2c(cccc2CO)F 62a_100161115468_100012351117 [0,2,0,0,0,0|2,0,0]=4 5914 B17R2.71187 Cc1cccc(c1Sc2nc(cs2)Br)CO 62a_100011659289_200016082925 [0,2,0,0,0,0|2,0,0]=4 5915 B17R2.71187 Cc1cccc(c1Sc2nc(cs2)Br)CO 62a_200016082925_100011659289 [0,2,0,0,0,0|2,0,0]=4 5916 B17R2.71187 Cc1cccc(c1Sc2nc(cs2)N)CO 62a_100011659289_200015188442 [0,2,0,0,0,0|2,0,0]=4 5917 B17R2.71187 Cc1cccc(c1Sc2nc(cs2)N)CO 62a_200015188442_100011659289 [0,2,0,0,0,0|2,0,0]=4 5918 B17R2.71187 Cc1cnc(s1)Sc2c(cccc2CO)C 62a_100000690809_100011659289 [0,2,0,0,0,0|2,0,0]=4 5919 B17R2.71187 Cc1cnc(s1)Sc2c(cccc2CO)C 62a_100011659289_100000690809 [0,2,0,0,0,0|2,0,0]=4 5920 B17R2.71187 Cc1csc(n1)Sc2c(cccc2CO)C 62a_100011291629_100011659289 [0,2,0,0,0,0|2,0,0]=4 5921 B17R2.71187 Cc1csc(n1)Sc2c(cccc2CO)C 62a_100011659289_100011291629 [0,2,0,0,0,0|2,0,0]=4 5922 B17R2.23515 Cc1c(ccc(c1Sc2nccn2C)F)F 62a_100000707724_100010167959 [0,2,0,0,0,0|2,0,0]=4 5923 B17R2.23515 Cc1c(ccc(c1Sc2nccn2C)F)F 62a_100010167959_100000707724 [0,2,0,0,0,0|2,0,0]=4 5924 B17R2.23515 Cc1ccc(c(c1C)Nc2ncnn2C)C 27a_100000117417_100000732653 [0,2,0,0,0,0|2,0,0]=4 5925 B17R2.23515 Cc1ccc(c(c1Nc2ncnn2C)C)Br 27a_200010074581_100000732653 [0,2,0,0,0,0|2,0,0]=4 5926 B17R2.23515 Cc1ccc(c(c1Nc2ncnn2C)C)Cl 27a_200020642106_100000732653 [0,2,0,0,0,0|2,0,0]=4 5927 B17R2.23515 Cc1ccc(c(c1Nc2ncnn2C)C)I 27a_200010115591_100000732653 [0,2,0,0,0,0|2,0,0]=4 5928 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)F 62a_100000707724_100011068659 [0,2,0,0,0,0|1,0,0]=3 5929 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)F 62a_100011068659_100000707724 [0,2,0,0,0,0|1,0,0]=3 5930 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)N 62a_100000707724_106354213274 [0,2,0,0,0,0|1,0,0]=3 5931 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)N 62a_106354213274_100000707724 [0,2,0,0,0,0|1,0,0]=3 5932 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)O 62a_100000707724_100010659238 [0,2,0,0,0,0|1,0,0]=3 5933 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)C)O 62a_100010659238_100000707724 [0,2,0,0,0,0|1,0,0]=3 5934 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)O)F 62a_100000707724_200010223207 [0,2,0,0,0,0|2,0,0]=4 5935 B17R2.23515 Cc1ccc(c(c1Sc2nccn2C)O)F 62a_200010223207_100000707724 [0,2,0,0,0,0|2,0,0]=4 5936 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)F 62a_100000732653_100011068659 [0,2,0,0,0,0|2,0,0]=4 5937 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)F 62a_100011068659_100000732653 [0,2,0,0,0,0|2,0,0]=4 5938 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)N 62a_100000732653_106354213274 [0,2,0,0,0,0|2,0,0]=4 5939 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)N 62a_106354213274_100000732653 [0,2,0,0,0,0|2,0,0]=4 5940 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)O 62a_100000732653_100010659238 [0,2,0,0,0,0|2,0,0]=4 5941 B17R2.23515 Cc1ccc(c(c1Sc2ncnn2C)C)O 62a_100010659238_100000732653 [0,2,0,0,0,0|2,0,0]=4 5942 B17R2.23515 Cc1cnc(c(c1Sc2nccn2C)C)F 62a_100000707724_100011016222 [0,2,0,0,0,0|2,0,0]=4 5943 B17R2.23515 Cc1cnc(c(c1Sc2nccn2C)C)F 62a_100011016222_100000707724 [0,2,0,0,0,0|2,0,0]=4 5944 B17R2.23515 Cc1ncc(c(c1Sc2nccn2C)C)N 62a_100000707724_100012352430 [0,2,0,0,0,0|2,0,0]=4 5945 B17R2.23515 Cc1ncc(c(c1Sc2nccn2C)C)N 62a_100012352430_100000707724 [0,2,0,0,0,0|2,0,0]=4 5946 B17R2.64751 CCn1ccnc1Sc2c(cccc2Br)C 62a_100010141302_100011617267 [0,2,0,0,0,0|2,0,0]=4 5947 B17R2.64751 CCn1ccnc1Sc2c(cccc2Br)C 62a_100011617267_100010141302 [0,2,0,0,0,0|2,0,0]=4 5948 B17R2.64751 CCn1ccnc1Sc2c(cccc2C)C 62a_100000033847_100011617267 [0,2,0,0,0,0|1,0,0]=3 5949 B17R2.64751 CCn1ccnc1Sc2c(cccc2C)C 62a_100011617267_100000033847 [0,2,0,0,0,0|1,0,0]=3 5950 B17R2.64751 CCn1ccnc1Sc2c(cccc2Cl)C 62a_100000043165_100011617267 [0,2,0,0,0,0|2,0,0]=4 5951 B17R2.64751 CCn1ccnc1Sc2c(cccc2Cl)C 62a_100011617267_100000043165 [0,2,0,0,0,0|2,0,0]=4 5952 B17R2.64751 CCn1ccnc1Sc2c(cccc2F)C 62a_100011218421_100011617267 [0,2,0,0,0,0|2,0,0]=4 5953 B17R2.64751 CCn1ccnc1Sc2c(cccc2F)C 62a_100011617267_100011218421 [0,2,0,0,0,0|2,0,0]=4 5954 B17R2.64751 CCn1ccnc1Sc2c(cccc2N)C 62a_100000684715_100011617267 [0,2,0,0,0,0|2,0,0]=4 5955 B17R2.64751 CCn1ccnc1Sc2c(cccc2N)C 62a_100011617267_100000684715 [0,2,0,0,0,0|2,0,0]=4 5956 B17R2.64751 CCn1ccnc1Sc2c(cccc2O)C 62a_100000686692_100011617267 [0,2,0,0,0,0|2,0,0]=4 5957 B17R2.64751 CCn1ccnc1Sc2c(cccc2O)C 62a_100011617267_100000686692 [0,2,0,0,0,0|2,0,0]=4 5958 B17R2.64751 CCn1ccnc1Sc2c(ccnc2C)C 62a_100011617267_100012000501 [0,2,0,0,0,0|2,0,0]=4 5959 B17R2.64751 CCn1ccnc1Sc2c(ccnc2C)C 62a_100012000501_100011617267 [0,2,0,0,0,0|2,0,0]=4 5960 B17R2.64751 CCn1ccnc1Sc2c(cncc2C)C 62a_100009817138_100011617267 [0,2,0,0,0,0|2,0,0]=4 5961 B17R2.64751 CCn1ccnc1Sc2c(cncc2C)C 62a_100011617267_100009817138 [0,2,0,0,0,0|2,0,0]=4 5962 B17R2.64751 CCn1ncnc1Nc2c(cccc2C)C 27a_100000185769_100009879425 [0,2,0,0,0,0|2,0,0]=4 5963 B17R2.64751 CCn1ncnc1Sc2c(cccc2C)C 62a_100000033847_100009879425 [0,2,0,0,0,0|2,0,0]=4 5964 B17R2.64751 CCn1ncnc1Sc2c(cccc2C)C 62a_100009879425_100000033847 [0,2,0,0,0,0|2,0,0]=4 5965 B17R2.71188 CCc1cccc(c1Nc2ncnn2C)C 27a_100000210048_100000732653 [0,2,0,0,0,0|2,0,0]=4 5966 B17R2.71188 CCc1cccc(c1Sc2nccn2C)C 62a_100000036235_100000707724 [0,2,0,0,0,0|1,0,0]=3 5967 B17R2.71188 CCc1cccc(c1Sc2nccn2C)C 62a_100000707724_100000036235 [0,2,0,0,0,0|1,0,0]=3 5968 B17R2.71188 CCc1cccc(c1Sc2ncnn2C)C 62a_100000036235_100000732653 [0,2,0,0,0,0|2,0,0]=4 5969 B17R2.71188 CCc1cccc(c1Sc2ncnn2C)C 62a_100000732653_100000036235 [0,2,0,0,0,0|2,0,0]=4 5970 B17R2.71188 COc1cccc(c1Nc2ncnn2C)C 27a_100000758225_100000732653 [0,2,0,0,0,0|2,0,0]=4 5971 B17R2.71188 COc1cccc(c1Sc2nccn2C)Br 62a_100000707724_100010131421 [0,2,0,0,0,0|2,0,0]=4 5972 B17R2.71188 COc1cccc(c1Sc2nccn2C)Br 62a_100010131421_100000707724 [0,2,0,0,0,0|2,0,0]=4 5973 B17R2.71188 COc1cccc(c1Sc2nccn2C)C 62a_100000707724_100010191535 [0,2,0,0,0,0|1,0,0]=3 5974 B17R2.71188 COc1cccc(c1Sc2nccn2C)C 62a_100010191535_100000707724 [0,2,0,0,0,0|1,0,0]=3 5975 B17R2.71188 COc1cccc(c1Sc2nccn2C)F 62a_100000703912_100000707724 [0,2,0,0,0,0|2,0,0]=4 5976 B17R2.71188 COc1cccc(c1Sc2nccn2C)F 62a_100000707724_100000703912 [0,2,0,0,0,0|2,0,0]=4 5977 B17R2.71188 COc1cccc(c1Sc2nccn2C)N 62a_100000703447_100000707724 [0,2,0,0,0,0|2,0,0]=4 5978 B17R2.71188 COc1cccc(c1Sc2nccn2C)N 62a_100000707724_100000703447 [0,2,0,0,0,0|2,0,0]=4 5979 B17R2.71188 COc1cccc(c1Sc2nccn2C)O 62a_100000707724_100010202623 [0,2,0,0,0,0|2,0,0]=4 5980 B17R2.71188 COc1cccc(c1Sc2ncnn2C)C 62a_100000732653_100010191535 [0,2,0,0,0,0|2,0,0]=4 5981 B17R2.71188 COc1cccc(c1Sc2ncnn2C)C 62a_100010191535_100000732653 [0,2,0,0,0,0|2,0,0]=4 5982 B17R2.71188 COc1nccc(c1Sc2nccn2C)C 62a_100000707724_100012353928 [0,2,0,0,0,0|2,0,0]=4 5983 B17R2.71188 COc1nccc(c1Sc2nccn2C)C 62a_100012353928_100000707724 [0,2,0,0,0,0|2,0,0]=4 5984 B17R2.71188 Cc1cccc(c1Nc2ncnn2C)CO 27a_100011215590_100000732653 [0,2,0,0,0,0|2,0,0]=4 5985 B17R2.71188 Cc1cccc(c1Sc2nccn2C)C#N 62a_100000707724_100011934862 [0,2,0,0,0,0|1,0,1]=4 5986 B17R2.71188 Cc1cccc(c1Sc2nccn2C)C=O 62a_100000707724_100012186367 [0,2,0,0,0,0|1,0,1]=4 5987 B17R2.71188 Cc1cccc(c1Sc2nccn2C)C=O 62a_100012186367_100000707724 [0,2,0,0,0,0|1,0,1]=4 5988 B17R2.71188 Cc1cccc(c1Sc2nccn2C)CO 62a_100000707724_100011659289 [0,2,0,0,0,0|1,0,0]=3 5989 B17R2.71188 Cc1cccc(c1Sc2nccn2C)CO 62a_100011659289_100000707724 [0,2,0,0,0,0|1,0,0]=3 5990 B17R2.71188 Cc1cccc(c1Sc2ncnn2C)CO 62a_100000732653_100011659289 [0,2,0,0,0,0|2,0,0]=4 5991 B17R2.71188 Cc1cccc(c1Sc2ncnn2C)CO 62a_100011659289_100000732653 [0,2,0,0,0,0|2,0,0]=4 5992 B17R2.71188 Cn1ccnc1Sc2c(cccc2CN)F 62a_100000707724_100020638964 [0,2,0,0,0,0|2,0,0]=4 5993 B17R2.71188 Cn1ccnc1Sc2c(cccc2CN)F 62a_100020638964_100000707724 [0,2,0,0,0,0|2,0,0]=4 5994 B17R2.71188 Cn1ccnc1Sc2c(cccc2CO)Br 62a_100000707724_100010146604 [0,2,0,0,0,0|2,0,0]=4 5995 B17R2.71188 Cn1ccnc1Sc2c(cccc2CO)Br 62a_100010146604_100000707724 [0,2,0,0,0,0|2,0,0]=4 5996 B17R2.71188 Cn1ccnc1Sc2c(cccc2CO)F 62a_100000707724_100012351117 [0,2,0,0,0,0|2,0,0]=4 5997 B17R2.71188 Cn1ccnc1Sc2c(cccc2CO)F 62a_100012351117_100000707724 [0,2,0,0,0,0|2,0,0]=4 5998 B17R2.158234 Cc1cccc(c1N(C)c2ncnn2C)C 27a_100011645471_100000732653 [0,2,0,0,0,0|2,0,0]=4 5999 B17R2.455679 COC(c1c[nH]cn1)c2c(cccc2C)C 34a_200029629205_200000210301 [0,2,0,0,0,0|2,0,0]=4 6000 B17R2.455679 Cc1cccc(c1C(O[13CH3])c2c[nH]cn2)C 34a_200029629205_200025704644 [0,2,0,0,0,0|2,0,0]=4 6001 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncc[nH]2)C)C 62a_100011215432_100025796157 [0,2,0,0,0,0|1,0,0]=3 6002 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncc[nH]2)C)C 62a_100025796157_100011215432 [0,2,0,0,0,0|1,0,0]=3 6003 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncc[nH]2)N)N 62a_100010077870_100025796157 [0,2,0,0,0,0|2,0,0]=4 6004 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncc[nH]2)N)N 62a_100025796157_100010077870 [0,2,0,0,0,0|2,0,0]=4 6005 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncco2)C)C 62a_100011215432_100011787736 [0,2,0,0,0,0|2,0,0]=4 6006 B17R2.8976 Cc1cc(c(c(c1C)Sc2ncco2)C)C 62a_100011787736_100011215432 [0,2,0,0,0,0|2,0,0]=4 6007 B17R2.8976 Cc1cc(c(c(c1C)Sc2nccs2)C)C 62a_100000211983_100011215432 [0,2,0,0,0,0|2,0,0]=4 6008 B17R2.8976 Cc1cc(c(c(c1C)Sc2nccs2)C)C 62a_100011215432_100000211983 [0,2,0,0,0,0|2,0,0]=4 6009 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)Br 62a_100025796157_200034458476 [0,2,0,0,0,0|2,0,0]=4 6010 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)Br 62a_200034458476_100025796157 [0,2,0,0,0,0|2,0,0]=4 6011 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100010254772_100025796157 [0,2,0,0,0,0|2,0,0]=4 6012 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100010254772 [0,2,0,0,0,0|2,0,0]=4 6013 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)N 62a_100025796157_102516457224 [0,2,0,0,0,0|2,0,0]=4 6014 B17R2.17043 COc1c(ccc(c1Sc2ncc[nH]2)F)N 62a_102516457224_100025796157 [0,2,0,0,0,0|2,0,0]=4 6015 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)C#N)F 62a_100025796157_100000062000 [0,2,0,0,0,0|1,0,1]=4 6016 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)C=O)F 62a_100000033498_100025796157 [0,2,0,0,0,0|1,0,1]=4 6017 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)C=O)F 62a_100025796157_100000033498 [0,2,0,0,0,0|1,0,1]=4 6018 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_100010365568_100025796157 [0,2,0,0,0,0|1,0,0]=3 6019 B17R2.17043 Cc1ccc(c(c1Sc2ncc[nH]2)CO)F 62a_100025796157_100010365568 [0,2,0,0,0,0|1,0,0]=3 6020 B17R2.17043 Cc1ccc(c(c1Sc2ncco2)CO)F 62a_100010365568_100011787736 [0,2,0,0,0,0|2,0,0]=4 6021 B17R2.17043 Cc1ccc(c(c1Sc2ncco2)CO)F 62a_100011787736_100010365568 [0,2,0,0,0,0|2,0,0]=4 6022 B17R2.17043 Cc1ccc(c(c1Sc2nccs2)CO)F 62a_100000211983_100010365568 [0,2,0,0,0,0|2,0,0]=4 6023 B17R2.17043 Cc1ccc(c(c1Sc2nccs2)CO)F 62a_100010365568_100000211983 [0,2,0,0,0,0|2,0,0]=4 6024 B17R2.17043 OCc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100011071053_100025796157 [0,2,0,0,0,0|2,0,0]=4 6025 B17R2.17043 OCc1c(ccc(c1Sc2ncc[nH]2)F)F 62a_100025796157_100011071053 [0,2,0,0,0,0|2,0,0]=4 6026 B17R2.69149 COc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100010204329_100025796157 [0,2,0,0,0,0|2,0,0]=4 6027 B17R2.69149 COc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100025796157_100010204329 [0,2,0,0,0,0|2,0,0]=4 6028 B17R2.69149 Cc1c(ccc(c1Sc2ncc[nH]2)C#N)F 62a_100025796157_100009859896 [0,2,0,0,0,0|1,0,1]=4 6029 B17R2.69149 Cc1c(ccc(c1Sc2ncc[nH]2)C=O)F 62a_100009872231_100025796157 [0,2,0,0,0,0|1,0,1]=4 6030 B17R2.69149 Cc1c(ccc(c1Sc2ncc[nH]2)C=O)F 62a_100025796157_100009872231 [0,2,0,0,0,0|1,0,1]=4 6031 B17R2.69149 OCc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100015087060_100025796157 [0,2,0,0,0,0|2,0,0]=4 6032 B17R2.69149 OCc1ccc(c(c1Sc2ncc[nH]2)F)F 62a_100025796157_100015087060 [0,2,0,0,0,0|2,0,0]=4 6033 B17R2.73275 COc1ccc(c(c1C)Sc2ncc[nH]2)C 62a_100016151084_100025796157 [0,2,0,0,0,0|1,0,0]=3 6034 B17R2.73275 COc1ccc(c(c1C)Sc2ncc[nH]2)C 62a_100025796157_100016151084 [0,2,0,0,0,0|1,0,0]=3 6035 B17R2.73275 COc1ccc(c(c1C)Sc2ncco2)C 62a_100011787736_100016151084 [0,2,0,0,0,0|2,0,0]=4 6036 B17R2.73275 COc1ccc(c(c1C)Sc2ncco2)C 62a_100016151084_100011787736 [0,2,0,0,0,0|2,0,0]=4 6037 B17R2.73275 COc1ccc(c(c1C)Sc2nccs2)C 62a_100000211983_100016151084 [0,2,0,0,0,0|2,0,0]=4 6038 B17R2.73275 COc1ccc(c(c1C)Sc2nccs2)C 62a_100016151084_100000211983 [0,2,0,0,0,0|2,0,0]=4 6039 B17R2.73275 Cc1ccc(c(c1Sc2ncc[nH]2)F)C=O 62a_100010381662_100025796157 [0,2,0,0,0,0|2,0,0]=4 6040 B17R2.73275 Cc1ccc(c(c1Sc2ncc[nH]2)F)C=O 62a_100025796157_100010381662 [0,2,0,0,0,0|2,0,0]=4 6041 B17R2.73275 Cc1cnc(c(c1Sc2ncc[nH]2)C)CO 62a_100000094799_100025796157 [0,2,0,0,0,0|2,0,0]=4 6042 B17R2.73275 Cc1cnc(c(c1Sc2ncc[nH]2)C)CO 62a_100025796157_100000094799 [0,2,0,0,0,0|2,0,0]=4 6043 B17R2.24113 CC(=O)c1cccc(c1Sc2ncc[nH]2)F 62a_100012362612_100025796157 [0,2,0,0,0,0|2,0,0]=4 6044 B17R2.24113 CC(=O)c1cccc(c1Sc2ncc[nH]2)F 62a_100025796157_100012362612 [0,2,0,0,0,0|2,0,0]=4 6045 B17R2.24113 Cc1cccc(c1Sc2ncc[nH]2)B(O)O 62a_100025796157_100046285795 [0,2,0,0,0,0|2,0,0]=4 6046 B17R2.24113 Cc1cccc(c1Sc2ncc[nH]2)B(O)O 62a_100046285795_100025796157 [0,2,0,0,0,0|2,0,0]=4 6047 B17R2.24113 Cc1cccc(c1Sc2ncc[nH]2)C(=O)N 62a_100025796157_200011409216 [0,2,0,0,0,0|1,0,1]=4 6048 B17R2.24113 Cc1cccc(c1Sc2ncc[nH]2)C(=O)N 62a_200011409216_100025796157 [0,2,0,0,0,0|1,0,1]=4 6049 B17R2.24113 Fc1cccc(c1Sc2ncc[nH]2)C(F)F 62a_100010189888_100025796157 [0,2,0,0,0,0|2,0,0]=4 6050 B17R2.24113 Fc1cccc(c1Sc2ncc[nH]2)C(F)F 62a_100025796157_100010189888 [0,2,0,0,0,0|2,0,0]=4 6051 B17R2.34169 Cc1cccc(c1Sc2ncc[nH]2)CC#N 62a_100010147024_100025796157 [0,2,0,0,0,0|1,0,0]=3 6052 B17R2.34169 Cc1cccc(c1Sc2ncc[nH]2)CC#N 62a_100025796157_100010147024 [0,2,0,0,0,0|1,0,0]=3 6053 B17R2.34169 Cc1cccc(c1Sc2ncco2)CC#N 62a_100010147024_100011787736 [0,2,0,0,0,0|2,0,0]=4 6054 B17R2.34169 Cc1cccc(c1Sc2ncco2)CC#N 62a_100011787736_100010147024 [0,2,0,0,0,0|2,0,0]=4 6055 B17R2.34169 Cc1cccc(c1Sc2nccs2)CC#N 62a_100000211983_100010147024 [0,2,0,0,0,0|2,0,0]=4 6056 B17R2.34169 Cc1cccc(c1Sc2nccs2)CC#N 62a_100010147024_100000211983 [0,2,0,0,0,0|2,0,0]=4 6057 B17R2.71190 CCc1cccc(c1Sc2ncc[nH]2)CC 62a_100010212195_100025796157 [0,2,0,0,0,0|1,0,0]=3 6058 B17R2.71190 CCc1cccc(c1Sc2ncc[nH]2)CC 62a_100025796157_100010212195 [0,2,0,0,0,0|1,0,0]=3 6059 B17R2.71190 CCc1cccc(c1Sc2ncco2)CC 62a_100010212195_100011787736 [0,2,0,0,0,0|2,0,0]=4 6060 B17R2.71190 CCc1cccc(c1Sc2ncco2)CC 62a_100011787736_100010212195 [0,2,0,0,0,0|2,0,0]=4 6061 B17R2.71190 CCc1cccc(c1Sc2nccs2)CC 62a_100000211983_100010212195 [0,2,0,0,0,0|2,0,0]=4 6062 B17R2.71190 CCc1cccc(c1Sc2nccs2)CC 62a_100010212195_100000211983 [0,2,0,0,0,0|2,0,0]=4 6063 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)C=O 62a_100010209554_100025796157 [0,2,0,0,0,0|1,0,1]=4 6064 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)C=O 62a_100025796157_100010209554 [0,2,0,0,0,0|1,0,1]=4 6065 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)CO 62a_100010236476_100025796157 [0,2,0,0,0,0|1,0,0]=3 6066 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)CO 62a_100025796157_100010236476 [0,2,0,0,0,0|1,0,0]=3 6067 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)OC 62a_100000690108_100025796157 [0,2,0,0,0,0|1,0,0]=3 6068 B17R2.71190 COc1cccc(c1Sc2ncc[nH]2)OC 62a_100025796157_100000690108 [0,2,0,0,0,0|1,0,0]=3 6069 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100010236476_100011787736 [0,2,0,0,0,0|2,0,0]=4 6070 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100011787736_100010236476 [0,2,0,0,0,0|2,0,0]=4 6071 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100000690108_100011787736 [0,2,0,0,0,0|2,0,0]=4 6072 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100011787736_100000690108 [0,2,0,0,0,0|2,0,0]=4 6073 B17R2.71190 COc1cccc(c1Sc2nccs2)CO 62a_100000211983_100010236476 [0,2,0,0,0,0|2,0,0]=4 6074 B17R2.71190 COc1cccc(c1Sc2nccs2)CO 62a_100010236476_100000211983 [0,2,0,0,0,0|2,0,0]=4 6075 B17R2.71190 COc1cccc(c1Sc2nccs2)OC 62a_100000211983_100000690108 [0,2,0,0,0,0|2,0,0]=4 6076 B17R2.71190 COc1cccc(c1Sc2nccs2)OC 62a_100000690108_100000211983 [0,2,0,0,0,0|2,0,0]=4 6077 B17R2.71190 COc1ccnc(c1Sc2ncc[nH]2)OC 62a_100010114374_100025796157 [0,2,0,0,0,0|2,0,0]=4 6078 B17R2.71190 COc1ccnc(c1Sc2ncc[nH]2)OC 62a_100025796157_100010114374 [0,2,0,0,0,0|2,0,0]=4 6079 B17R2.71190 COc1cncc(c1Sc2ncc[nH]2)OC 62a_100025796157_200010191558 [0,2,0,0,0,0|2,0,0]=4 6080 B17R2.71190 COc1cncc(c1Sc2ncc[nH]2)OC 62a_200010191558_100025796157 [0,2,0,0,0,0|2,0,0]=4 6081 B15R2.1117 Cc1cccc(c1)C=Cc2ncc[nH]2 271570a_200135466880_100025796157 [0,0,1,1,0,0|0,0,2]=4 6082 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 207a_100000188690_100000743867 [0,0,1,1,0,0|1,0,1]=4 6083 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 2230a_100000188690_100016991755 [0,0,1,1,0,0|1,0,1]=4 6084 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 34a_100000188690_100016991755 [0,0,1,1,0,0|1,0,1]=4 6085 B15R2.1117 Cc1cccc(c1)OCc2ncc[nH]2 34a_100000210337_100016991755 [0,0,1,1,0,0|1,0,1]=4 6086 B15R2.1117 Cc1cccc(c1)OCc2ncc[nH]2 7a_100000210337_100000753453 [0,0,1,1,0,0|1,0,1]=4 6087 B15R2.1117 Cc1cccc(c1)SCc2ncc[nH]2 62a_100011215228_100016991755 [0,0,1,1,0,0|1,0,1]=4 6088 B15R2.1117 Cc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100011215228 [0,0,1,1,0,0|1,0,1]=4 6089 B15R2.1117 Cc1cccc(n1)SCc2ncc[nH]2 62a_100000742759_100016991755 [0,0,1,1,0,0|2,0,0]=4 6090 B15R2.1117 Cc1cccc(n1)SCc2ncc[nH]2 62a_100016991755_100000742759 [0,0,1,1,0,0|2,0,0]=4 6091 B15R2.4334 CNc1ccc(cc1c2ncc[nH]2)C 271570a_100016988920_100000221369 [0,0,1,1,0,0|1,0,1]=4 6092 B15R2.4334 COc1ccc(cc1c2ncc[nH]2)C 271570a_100000186402_100025796157 [0,0,1,1,0,0|1,0,1]=4 6093 B15R2.4334 COc1ccc(cc1c2ncc[nH]2)C 271570a_100016988920_100000186399 [0,0,1,1,0,0|1,0,1]=4 6094 B15R2.4334 CSc1ccc(cc1c2ncc[nH]2)C 271570a_100016988920_200010201864 [0,0,1,1,0,0|1,0,1]=4 6095 B15R2.4334 Cc1ccc(c(c1)c2ncc[nH]2)C=O 271570a_100000117001_100025796157 [0,0,1,1,0,0|1,0,1]=4 6096 B15R2.4334 Cc1ccc(c(c1)c2ncc[nH]2)C=O 271570a_100016988920_100000692596 [0,0,1,1,0,0|1,0,1]=4 6097 B15R2.5805 COc1c(cccc1c2ncc[nH]2)C 271570a_100016988920_100010141385 [0,0,1,1,0,0|1,0,1]=4 6098 B15R2.5805 COc1c(cccc1c2ncc[nH]2)C 271570a_200000084649_100025796157 [0,0,1,1,0,0|1,0,1]=4 6099 B15R2.5805 Cc1cccc(c1C=O)c2ncc[nH]2 271570a_100016988920_100000041122 [0,0,1,1,0,0|1,0,1]=4 6100 B15R2.541 Cc1cccc(c1c2ccccn2)C 271570a_100011264011_100000033847 [0,0,1,1,0,0|1,0,1]=4 6101 B15R2.541 Cc1cccc(c1c2cccnc2)C 271570a_100000757648_100000033847 [0,0,1,1,0,0|1,0,1]=4 6102 B15R2.541 Cc1cccc(c1c2cnccn2)C 271570a_100011962566_100000033847 [0,0,1,1,0,0|0,0,2]=4 6103 B17R3.4464 Cc1cccc2c1CN(C2)c3ncns3 27a_100020635169_100000693119 [0,0,0,1,0,1|2,0,0]=4 6104 B17R3.4464 Cc1cccc2c1CN(C2)c3nncs3 27a_100020635169_100000739804 [0,0,0,1,0,1|2,0,0]=4 6105 B17R3.4464 Cc1cccc2c1[nH]c(c2)c3ncc[nH]3 271570a_100010246273_100025796157 [0,0,0,1,0,1|0,0,2]=4 6106 B17R3.4464 Cc1cccc2c1nc(s2)c3ncc[nH]3 271570a_100016988920_100010008827 [0,0,0,1,0,1|1,0,1]=4 6107 B17R3.4467 Cc1cccc2c1c(n[nH]2)c3ncc[nH]3 271570a_100016988920_100000049903 [0,1,0,1,0,0|1,0,1]=4 6108 B13R1.156 C/C=C/C=CC(=O)Cc1ncco1 1458a_100000185730_103436540062 [0,0,1,0,1,0|2,0,0]=4 6109 B13R1.156 C/C=C/C=CC(=O)Cc1nccs1 1458a_100000185730_100015184050 [0,0,1,0,1,0|2,0,0]=4 6110 B13R1.4453 C=CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210623 [0,0,1,0,1,0|2,0,0]=4 6111 B13R2.18 Brc1ccccc1c2ncc[nH]2 271570a_100016988920_100000695589 [1,0,0,0,1,0|1,0,0]=3 6112 B13R2.18 Brc1cccnc1c2ncc[nH]2 271570a_100016988920_100000696092 [1,0,0,0,1,0|2,0,0]=4 6113 B13R2.18 Brc1ccncc1c2ncc[nH]2 271570a_100016988920_100010138639 [1,0,0,0,1,0|2,0,0]=4 6114 B13R2.18 Brc1cnccc1c2ncc[nH]2 271570a_100016988920_100000726257 [1,0,0,0,1,0|2,0,0]=4 6115 B13R2.18 Brc1ncccc1c2ncc[nH]2 271570a_100016988920_100010202626 [1,0,0,0,1,0|2,0,0]=4 6116 B13R2.18 C[n+]1ccccc1c2ncc[nH]2 271570a_100016988920_100000212160 [1,0,0,0,1,0|1,0,0]=3 6117 B13R2.18 Cc1ccccc1c2c[nH]cn2 271570a_100000747142_100000756875 [1,0,0,0,1,0|2,0,0]=4 6118 B13R2.18 Cc1ccccc1c2cc[nH]n2 271570a_100000062414_100000210755 [1,0,0,0,1,0|2,0,0]=4 6119 B13R2.18 Cc1ccccc1c2cc[nH]n2 271570a_100000747142_100000062575 [1,0,0,0,1,0|2,0,0]=4 6120 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000747142_100009814098 [1,0,0,0,1,0|2,0,0]=4 6121 B13R2.18 Cc1ccccc1c2ccco2 271570a_100000750936_100000210755 [1,0,0,0,1,0|2,0,0]=4 6122 B13R2.18 Cc1ccccc1c2cccs2 271570a_100000742291_100000210755 [1,0,0,0,1,0|2,0,0]=4 6123 B13R2.18 Cc1ccccc1c2cccs2 271570a_100000747142_100011215356 [1,0,0,0,1,0|2,0,0]=4 6124 B13R2.18 Cc1ccccc1c2ccsn2 271570a_100000747142_100009818082 [1,0,0,0,1,0|2,0,0]=4 6125 B13R2.18 Cc1ccccc1c2cscn2 271570a_100000747142_100000751502 [1,0,0,0,1,0|2,0,0]=4 6126 B13R2.18 Cc1ccccc1c2nc[nH]n2 271570a_100000747142_100000761765 [1,0,0,0,1,0|1,0,1]=4 6127 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100000747142_100025796157 [1,0,0,0,1,0|0,0,0]=2 6128 B13R2.18 Cc1ccccc1c2ncc[nH]2 271570a_100016988920_100000210755 [1,0,0,0,1,0|0,0,0]=2 6129 B13R2.18 Cc1ccccc1c2ncco2 271570a_100000747142_100011787736 [1,0,0,0,1,0|1,0,0]=3 6130 B13R2.18 Cc1ccccc1c2nccs2 271570a_100000747142_100000211983 [1,0,0,0,1,0|1,0,0]=3 6131 B13R2.18 Cc1ccccc1c2ncns2 271570a_100000747142_100000693119 [1,0,0,0,1,0|2,0,0]=4 6132 B13R2.18 Cc1ccccc1c2nncs2 271570a_100000747142_100000739804 [1,0,0,0,1,0|2,0,0]=4 6133 B13R2.18 Cc1cccnc1c2ncc[nH]2 271570a_100016988920_100000751373 [1,0,0,0,1,0|1,0,0]=3 6134 B13R2.18 Cc1ccncc1c2ncc[nH]2 271570a_100011935247_100025796157 [1,0,0,0,1,0|1,0,0]=3 6135 B13R2.18 Cc1ccncc1c2ncc[nH]2 271570a_100016988920_100000761580 [1,0,0,0,1,0|1,0,0]=3 6136 B13R2.18 Cc1ccncc1c2ncco2 271570a_100011935247_100011787736 [1,0,0,0,1,0|2,0,0]=4 6137 B13R2.18 Cc1ccncc1c2nccs2 271570a_100011935247_100000211983 [1,0,0,0,1,0|2,0,0]=4 6138 B13R2.18 Cc1ccnnc1c2ncc[nH]2 271570a_100016988920_100000089043 [1,0,0,0,1,0|2,0,0]=4 6139 B13R2.18 Cc1cnccc1c2ncc[nH]2 271570a_100000701363_100025796157 [1,0,0,0,1,0|1,0,0]=3 6140 B13R2.18 Cc1cnccc1c2ncc[nH]2 271570a_100016988920_100015191297 [1,0,0,0,1,0|1,0,0]=3 6141 B13R2.18 Cc1cnccc1c2ncco2 271570a_100000701363_100011787736 [1,0,0,0,1,0|2,0,0]=4 6142 B13R2.18 Cc1cnccc1c2nccs2 271570a_100000701363_100000211983 [1,0,0,0,1,0|2,0,0]=4 6143 B13R2.18 Cc1cncnc1c2ncc[nH]2 271570a_100016988920_100011998708 [1,0,0,0,1,0|2,0,0]=4 6144 B13R2.18 Cc1ncccc1c2ncc[nH]2 271570a_100011934933_100025796157 [1,0,0,0,1,0|1,0,0]=3 6145 B13R2.18 Cc1ncccc1c2ncc[nH]2 271570a_100016988920_100000751574 [1,0,0,0,1,0|1,0,0]=3 6146 B13R2.18 Cc1ncccc1c2ncco2 271570a_100011934933_100011787736 [1,0,0,0,1,0|2,0,0]=4 6147 B13R2.18 Cc1ncccc1c2nccs2 271570a_100011934933_100000211983 [1,0,0,0,1,0|2,0,0]=4 6148 B13R2.18 Cc1nccnc1c2ncc[nH]2 271570a_100016988920_100011999405 [1,0,0,0,1,0|2,0,0]=4 6149 B13R2.18 Cc1ncncc1c2ncc[nH]2 271570a_100016988920_100009819671 [1,0,0,0,1,0|2,0,0]=4 6150 B13R2.18 Cc1ncncc1c2ncc[nH]2 271570a_200010046012_100025796157 [1,0,0,0,1,0|2,0,0]=4 6151 B13R2.18 Clc1ccccc1c2ncc[nH]2 271570a_100011934419_100025796157 [1,0,0,0,1,0|1,0,0]=3 6152 B13R2.18 Clc1ccccc1c2ncc[nH]2 271570a_100016988920_100000764095 [1,0,0,0,1,0|1,0,0]=3 6153 B13R2.18 Clc1ccccc1c2ncco2 271570a_100011934419_100011787736 [1,0,0,0,1,0|2,0,0]=4 6154 B13R2.18 Clc1ccccc1c2nccs2 271570a_100011934419_100000211983 [1,0,0,0,1,0|2,0,0]=4 6155 B13R2.18 Clc1cccnc1c2ncc[nH]2 271570a_100009857861_100025796157 [1,0,0,0,1,0|2,0,0]=4 6156 B13R2.18 Clc1cccnc1c2ncc[nH]2 271570a_100016988920_100011356963 [1,0,0,0,1,0|2,0,0]=4 6157 B13R2.18 Clc1ccncc1c2ncc[nH]2 271570a_100000062317_100025796157 [1,0,0,0,1,0|2,0,0]=4 6158 B13R2.18 Clc1ccncc1c2ncc[nH]2 271570a_100016988920_100009995489 [1,0,0,0,1,0|2,0,0]=4 6159 B13R2.18 Clc1cnccc1c2ncc[nH]2 271570a_100000062318_100025796157 [1,0,0,0,1,0|2,0,0]=4 6160 B13R2.18 Clc1cnccc1c2ncc[nH]2 271570a_100016988920_100000708259 [1,0,0,0,1,0|2,0,0]=4 6161 B13R2.18 Clc1ncccc1c2ncc[nH]2 271570a_100000047009_100025796157 [1,0,0,0,1,0|2,0,0]=4 6162 B13R2.18 Clc1ncccc1c2ncc[nH]2 271570a_100016988920_100000036424 [1,0,0,0,1,0|2,0,0]=4 6163 B13R2.18 Fc1ccccc1c2ncc[nH]2 271570a_100000761933_100025796157 [1,0,0,0,1,0|1,0,0]=3 6164 B13R2.18 Fc1ccccc1c2ncc[nH]2 271570a_100016988920_100011215700 [1,0,0,0,1,0|1,0,0]=3 6165 B13R2.18 Fc1ccccc1c2ncco2 271570a_100000761933_100011787736 [1,0,0,0,1,0|2,0,0]=4 6166 B13R2.18 Fc1ccccc1c2nccs2 271570a_100000761933_100000211983 [1,0,0,0,1,0|2,0,0]=4 6167 B13R2.18 Fc1cccnc1c2ncc[nH]2 271570a_100016988920_100000685392 [1,0,0,0,1,0|2,0,0]=4 6168 B13R2.18 Fc1ccncc1c2ncc[nH]2 271570a_100016988920_100009820683 [1,0,0,0,1,0|2,0,0]=4 6169 B13R2.18 Fc1cnccc1c2ncc[nH]2 271570a_100011290801_100025796157 [1,0,0,0,1,0|2,0,0]=4 6170 B13R2.18 Fc1cnccc1c2ncc[nH]2 271570a_100016988920_100000047030 [1,0,0,0,1,0|2,0,0]=4 6171 B13R2.18 Fc1ncccc1c2ncc[nH]2 271570a_100000042387_100025796157 [1,0,0,0,1,0|2,0,0]=4 6172 B13R2.18 Fc1ncccc1c2ncc[nH]2 271570a_100016988920_100009816115 [1,0,0,0,1,0|2,0,0]=4 6173 B13R2.18 Ic1ccccc1c2ncc[nH]2 271570a_100000069755_100025796157 [1,0,0,0,1,0|1,0,0]=3 6174 B13R2.18 Ic1ccccc1c2ncco2 271570a_100000069755_100011787736 [1,0,0,0,1,0|2,0,0]=4 6175 B13R2.18 Ic1ccccc1c2nccs2 271570a_100000069755_100000211983 [1,0,0,0,1,0|2,0,0]=4 6176 B13R2.18 Nc1ccccc1c2ncc[nH]2 271570a_100000034411_100025796157 [1,0,0,0,1,0|1,0,0]=3 6177 B13R2.18 Nc1ccccc1c2ncc[nH]2 271570a_100016988920_100000210017 [1,0,0,0,1,0|1,0,0]=3 6178 B13R2.18 Nc1ccccc1c2ncco2 271570a_100000034411_100011787736 [1,0,0,0,1,0|2,0,0]=4 6179 B13R2.18 Nc1ccccc1c2nccs2 271570a_100000034411_100000211983 [1,0,0,0,1,0|2,0,0]=4 6180 B13R2.18 Nc1cccnc1c2ncc[nH]2 271570a_100016988920_100000688686 [1,0,0,0,1,0|2,0,0]=4 6181 B13R2.18 Nc1ccncc1c2ncc[nH]2 271570a_100016988920_100000047001 [1,0,0,0,1,0|2,0,0]=4 6182 B13R2.18 Nc1ccncc1c2ncc[nH]2 271570a_200010248739_100025796157 [1,0,0,0,1,0|2,0,0]=4 6183 B13R2.18 Nc1cnccc1c2ncc[nH]2 271570a_100016988920_100009815883 [1,0,0,0,1,0|2,0,0]=4 6184 B13R2.18 Nc1ncccc1c2ncc[nH]2 271570a_100000071976_100025796157 [1,0,0,0,1,0|2,0,0]=4 6185 B13R2.18 Nc1ncccc1c2ncc[nH]2 271570a_100016988920_100000045569 [1,0,0,0,1,0|2,0,0]=4 6186 B13R2.18 O=c1[nH]cccc1c2ncc[nH]2 271570a_100000099769_100025796157 [1,0,0,0,1,0|2,0,0]=4 6187 B13R2.18 O=c1[nH]cccc1c2ncc[nH]2 271570a_100016988920_100000050042 [1,0,0,0,1,0|2,0,0]=4 6188 B13R2.18 O=c1cc[nH]cc1c2ncc[nH]2 271570a_100016988920_100009998708 [1,0,0,0,1,0|2,0,0]=4 6189 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_100000035170_100025796157 [1,0,0,0,1,0|1,0,0]=3 6190 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_100016988920_100000739446 [1,0,0,0,1,0|1,0,0]=3 6191 B13R2.18 Oc1ccccc1c2ncc[nH]2 271570a_203496583355_100011532729 [1,0,0,0,1,0|1,0,0]=3 6192 B13R2.18 Oc1ccccc1c2ncco2 271570a_100000035170_100011787736 [1,0,0,0,1,0|2,0,0]=4 6193 B13R2.18 Oc1ccccc1c2ncco2 271570a_203496583355_100010188011 [1,0,0,0,1,0|2,0,0]=4 6194 B13R2.18 Oc1ccccc1c2nccs2 271570a_100000035170_100000211983 [1,0,0,0,1,0|2,0,0]=4 6195 B13R2.18 Oc1ccccc1c2nccs2 271570a_203496583355_103496549459 [1,0,0,0,1,0|2,0,0]=4 6196 B13R2.18 Oc1cccnc1c2ncc[nH]2 271570a_100016988920_100000034122 [1,0,0,0,1,0|2,0,0]=4 6197 B13R2.18 Oc1cnccc1c2ncc[nH]2 271570a_100016988920_100009817591 [1,0,0,0,1,0|2,0,0]=4 6198 B13R2.18 S=c1cc[nH]cc1c2ncc[nH]2 271570a_100016988920_200012280681 [1,0,0,0,1,0|2,0,0]=4 6199 B13R2.18 [O-][n+]1ccccc1c2ncc[nH]2 271570a_100016988920_200000042595 [1,0,0,0,1,0|2,0,0]=4 6200 B13R2.29 Cc1ccsc1Sc2ncc[nH]2 62a_100010247149_100025796157 [1,0,0,0,1,0|2,0,0]=4 6201 B13R2.29 Cc1ccsc1Sc2ncc[nH]2 62a_100025796157_100010247149 [1,0,0,0,1,0|2,0,0]=4 6202 B13R2.29 Cc1cscc1Sc2ncc[nH]2 62a_100000759966_100025796157 [1,0,0,0,1,0|2,0,0]=4 6203 B13R2.29 Cc1cscc1Sc2ncc[nH]2 62a_100025796157_100000759966 [1,0,0,0,1,0|2,0,0]=4 6204 B13R2.29 Cc1sccc1Sc2ncc[nH]2 62a_100000684487_100025796157 [1,0,0,0,1,0|2,0,0]=4 6205 B13R2.29 Cc1sccc1Sc2ncc[nH]2 62a_100025796157_100000684487 [1,0,0,0,1,0|2,0,0]=4 6206 B13R2.3042 Cc1cnn(c1c2ncc[nH]2)C 271570a_100010063681_100025796157 [0,0,0,0,2,0|2,0,0]=4 6207 B13R2.3042 Cc1n[nH]c(c1c2ncc[nH]2)C 271570a_100000067762_100025796157 [0,0,0,0,2,0|2,0,0]=4 6208 B13R2.3042 Cc1n[nH]c(c1c2ncc[nH]2)C 271570a_100016988920_100000238710 [0,0,0,0,2,0|2,0,0]=4 6209 B13R2.3042 Cc1noc(c1c2ncc[nH]2)C 271570a_100000067829_100025796157 [0,0,0,0,2,0|2,0,0]=4 6210 B13R2.3042 Cc1noc(c1c2ncc[nH]2)C 271570a_100016988920_100000694658 [0,0,0,0,2,0|2,0,0]=4 6211 B15R1.1376 C/C=C/C=CC(=O)NCCc1ncc[nH]1 11a_100000754300_100000185730 [0,0,1,0,0,1|1,0,1]=4 6212 B15R1.1376 C/C=C/C=CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000185730 [0,0,1,0,0,1|1,0,1]=4 6213 B15R2.38 Cc1ccccc1Nc2cccnn2 27a_100015192222_100016991348 [1,0,0,0,0,1|2,0,0]=4 6214 B15R2.38 Cc1ccccc1Nc2ccncn2 27a_100015192222_100000703185 [1,0,0,0,0,1|2,0,0]=4 6215 B15R2.38 Cc1ccccc1Nc2cnccn2 27a_100015192222_100000211759 [1,0,0,0,0,1|1,0,1]=4 6216 B15R2.38 Cc1ccccc1Nc2ncccn2 27a_100015192222_100000211032 [1,0,0,0,0,1|1,0,1]=4 6217 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100000210755_100011216584 [1,0,0,0,0,1|2,0,0]=4 6218 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100011216584_100000210755 [1,0,0,0,0,1|2,0,0]=4 6219 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210063_100000210755 [1,0,0,0,0,1|2,0,0]=4 6220 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210755_100000210063 [1,0,0,0,0,1|2,0,0]=4 6221 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100000210755_100016991348 [1,0,0,0,0,1|2,0,0]=4 6222 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100016991348_100000210755 [1,0,0,0,0,1|2,0,0]=4 6223 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000210755_100000703185 [1,0,0,0,0,1|2,0,0]=4 6224 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000703185_100000210755 [1,0,0,0,0,1|2,0,0]=4 6225 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000210755_100000211759 [1,0,0,0,0,1|1,0,1]=4 6226 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000211759_100000210755 [1,0,0,0,0,1|1,0,1]=4 6227 B15R2.38 Cc1ccccc1Sc2ncccn2 62a_100000210755_100000211032 [1,0,0,0,0,1|1,0,1]=4 6228 B15R2.38 Cc1ccccc1Sc2ncccn2 62a_100000211032_100000210755 [1,0,0,0,0,1|1,0,1]=4 6229 B15R2.562 Brc1ccccc1CSc2ncc[nH]2 62a_100000184730_100025796157 [1,0,0,0,0,1|1,0,0]=3 6230 B15R2.562 Brc1ccccc1CSc2ncc[nH]2 62a_100025796157_100000184730 [1,0,0,0,0,1|1,0,0]=3 6231 B15R2.562 Brc1ccccc1CSc2ncco2 62a_100000184730_100011787736 [1,0,0,0,0,1|2,0,0]=4 6232 B15R2.562 Brc1ccccc1CSc2ncco2 62a_100011787736_100000184730 [1,0,0,0,0,1|2,0,0]=4 6233 B15R2.562 Brc1ccccc1CSc2nccs2 62a_100000184730_100000211983 [1,0,0,0,0,1|2,0,0]=4 6234 B15R2.562 Brc1ccccc1CSc2nccs2 62a_100000211983_100000184730 [1,0,0,0,0,1|2,0,0]=4 6235 B15R2.562 Brc1ccccc1NCc2ncc[nH]2 207a_100000210017_100000743867 [1,0,0,0,0,1|1,0,0]=3 6236 B15R2.562 Brc1ccccc1NCc2ncc[nH]2 34a_100000210017_100016991755 [1,0,0,0,0,1|1,0,0]=3 6237 B15R2.562 Brc1ccccc1NCc2ncco2 34a_100000210017_103436540062 [1,0,0,0,0,1|2,0,0]=4 6238 B15R2.562 Brc1ccccc1NCc2nccs2 207a_100000210017_100000750902 [1,0,0,0,0,1|2,0,0]=4 6239 B15R2.562 Brc1ccccc1NCc2nccs2 34a_100000210017_100015184050 [1,0,0,0,0,1|2,0,0]=4 6240 B15R2.562 Brc1ccccc1OCc2ncc[nH]2 34a_100000181306_100016991755 [1,0,0,0,0,1|1,0,0]=3 6241 B15R2.562 Brc1ccccc1OCc2ncc[nH]2 7a_100000181306_100000753453 [1,0,0,0,0,1|1,0,0]=3 6242 B15R2.562 Brc1ccccc1OCc2ncco2 34a_100000181306_103436540062 [1,0,0,0,0,1|2,0,0]=4 6243 B15R2.562 Brc1ccccc1OCc2ncco2 7a_100000181306_103436540062 [1,0,0,0,0,1|2,0,0]=4 6244 B15R2.562 Brc1ccccc1OCc2nccs2 34a_100000181306_100015184050 [1,0,0,0,0,1|2,0,0]=4 6245 B15R2.562 Brc1ccccc1OCc2nccs2 7a_100000181306_100015184050 [1,0,0,0,0,1|2,0,0]=4 6246 B15R2.562 Brc1ccccc1SCc2ncc[nH]2 62a_100000695589_100016991755 [1,0,0,0,0,1|1,0,0]=3 6247 B15R2.562 Brc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000695589 [1,0,0,0,0,1|1,0,0]=3 6248 B15R2.562 Brc1ccccc1SCc2ncco2 62a_100000695589_103436540062 [1,0,0,0,0,1|2,0,0]=4 6249 B15R2.562 Brc1ccccc1SCc2ncco2 62a_103436540062_100000695589 [1,0,0,0,0,1|2,0,0]=4 6250 B15R2.562 Brc1ccccc1SCc2nccs2 62a_100000695589_100015184050 [1,0,0,0,0,1|2,0,0]=4 6251 B15R2.562 Brc1ccccc1SCc2nccs2 62a_100015184050_100000695589 [1,0,0,0,0,1|2,0,0]=4 6252 B15R2.562 Brc1cccnc1CSc2ncc[nH]2 62a_100025702911_100025796157 [1,0,0,0,0,1|2,0,0]=4 6253 B15R2.562 Brc1cccnc1CSc2ncc[nH]2 62a_100025796157_100025702911 [1,0,0,0,0,1|2,0,0]=4 6254 B15R2.562 Brc1cccnc1NCc2ncc[nH]2 27a_100000754540_100000696092 [1,0,0,0,0,1|2,0,0]=4 6255 B15R2.562 Brc1cccnc1SCc2ncc[nH]2 62a_100000696092_100016991755 [1,0,0,0,0,1|2,0,0]=4 6256 B15R2.562 Brc1cccnc1SCc2ncc[nH]2 62a_100016991755_100000696092 [1,0,0,0,0,1|2,0,0]=4 6257 B15R2.562 Brc1ccncc1SCc2ncc[nH]2 62a_100010138639_100016991755 [1,0,0,0,0,1|2,0,0]=4 6258 B15R2.562 Brc1ccncc1SCc2ncc[nH]2 62a_100016991755_100010138639 [1,0,0,0,0,1|2,0,0]=4 6259 B15R2.562 Brc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000726257 [1,0,0,0,0,1|2,0,0]=4 6260 B15R2.562 Brc1cnccc1OCc2ncc[nH]2 34a_100011996408_100016991755 [1,0,0,0,0,1|2,0,0]=4 6261 B15R2.562 Brc1cnccc1SCc2ncc[nH]2 62a_100000726257_100016991755 [1,0,0,0,0,1|2,0,0]=4 6262 B15R2.562 Brc1cnccc1SCc2ncc[nH]2 62a_100016991755_100000726257 [1,0,0,0,0,1|2,0,0]=4 6263 B15R2.562 Brc1ncccc1CSc2ncc[nH]2 62a_100010140945_100025796157 [1,0,0,0,0,1|2,0,0]=4 6264 B15R2.562 Brc1ncccc1CSc2ncc[nH]2 62a_100025796157_100010140945 [1,0,0,0,0,1|2,0,0]=4 6265 B15R2.562 Brc1ncccc1OCc2ncc[nH]2 34a_100000744436_100016991755 [1,0,0,0,0,1|2,0,0]=4 6266 B15R2.562 Brc1ncccc1OCc2ncc[nH]2 7a_100000744436_100000753453 [1,0,0,0,0,1|2,0,0]=4 6267 B15R2.562 Brc1ncccc1SCc2ncc[nH]2 62a_100010202626_100016991755 [1,0,0,0,0,1|2,0,0]=4 6268 B15R2.562 Brc1ncccc1SCc2ncc[nH]2 62a_100016991755_100010202626 [1,0,0,0,0,1|2,0,0]=4 6269 B15R2.562 C[n+]1ccccc1SCc2ncc[nH]2 62a_100016991755_100000212160 [1,0,0,0,0,1|1,0,0]=3 6270 B15R2.562 C[n+]1ccccc1SCc2ncco2 62a_103436540062_100000212160 [1,0,0,0,0,1|2,0,0]=4 6271 B15R2.562 C[n+]1ccccc1SCc2nccs2 62a_100015184050_100000212160 [1,0,0,0,0,1|2,0,0]=4 6272 B15R2.562 Cc1ccccc1CNc2ncns2 27a_100000174972_100000693119 [1,0,0,0,0,1|2,0,0]=4 6273 B15R2.562 Cc1ccccc1CNc2nncs2 27a_100000174972_100000739804 [1,0,0,0,0,1|2,0,0]=4 6274 B15R2.562 Cc1ccccc1CSc2c[nH]cn2 62a_100000211839_100000756875 [1,0,0,0,0,1|2,0,0]=4 6275 B15R2.562 Cc1ccccc1CSc2c[nH]cn2 62a_100000756875_100000211839 [1,0,0,0,0,1|2,0,0]=4 6276 B15R2.562 Cc1ccccc1CSc2cc[nH]n2 62a_100000062575_100000211839 [1,0,0,0,0,1|2,0,0]=4 6277 B15R2.562 Cc1ccccc1CSc2cc[nH]n2 62a_100000211839_100000062575 [1,0,0,0,0,1|2,0,0]=4 6278 B15R2.562 Cc1ccccc1CSc2ccco2 62a_100000211839_100009814098 [1,0,0,0,0,1|2,0,0]=4 6279 B15R2.562 Cc1ccccc1CSc2ccco2 62a_100009814098_100000211839 [1,0,0,0,0,1|2,0,0]=4 6280 B15R2.562 Cc1ccccc1CSc2cccs2 62a_100000211839_100011215356 [1,0,0,0,0,1|2,0,0]=4 6281 B15R2.562 Cc1ccccc1CSc2cccs2 62a_100011215356_100000211839 [1,0,0,0,0,1|2,0,0]=4 6282 B15R2.562 Cc1ccccc1CSc2ccon2 62a_100000211839_100009818083 [1,0,0,0,0,1|2,0,0]=4 6283 B15R2.562 Cc1ccccc1CSc2ccon2 62a_100009818083_100000211839 [1,0,0,0,0,1|2,0,0]=4 6284 B15R2.562 Cc1ccccc1CSc2ccsn2 62a_100000211839_100009818082 [1,0,0,0,0,1|2,0,0]=4 6285 B15R2.562 Cc1ccccc1CSc2ccsn2 62a_100009818082_100000211839 [1,0,0,0,0,1|2,0,0]=4 6286 B15R2.562 Cc1ccccc1CSc2cscn2 62a_100000211839_100000751502 [1,0,0,0,0,1|2,0,0]=4 6287 B15R2.562 Cc1ccccc1CSc2cscn2 62a_100000751502_100000211839 [1,0,0,0,0,1|2,0,0]=4 6288 B15R2.562 Cc1ccccc1CSc2nc[nH]n2 62a_100000211839_100000761765 [1,0,0,0,0,1|1,0,1]=4 6289 B15R2.562 Cc1ccccc1CSc2nc[nH]n2 62a_100000761765_100000211839 [1,0,0,0,0,1|1,0,1]=4 6290 B15R2.562 Cc1ccccc1CSc2ncc[nH]2 62a_100000211839_100025796157 [1,0,0,0,0,1|0,0,0]=2 6291 B15R2.562 Cc1ccccc1CSc2ncc[nH]2 62a_100025796157_100000211839 [1,0,0,0,0,1|0,0,0]=2 6292 B15R2.562 Cc1ccccc1CSc2ncco2 62a_100000211839_100011787736 [1,0,0,0,0,1|1,0,0]=3 6293 B15R2.562 Cc1ccccc1CSc2ncco2 62a_100011787736_100000211839 [1,0,0,0,0,1|1,0,0]=3 6294 B15R2.562 Cc1ccccc1CSc2nccs2 62a_100000211839_100000211983 [1,0,0,0,0,1|1,0,0]=3 6295 B15R2.562 Cc1ccccc1CSc2nccs2 62a_100000211983_100000211839 [1,0,0,0,0,1|1,0,0]=3 6296 B15R2.562 Cc1ccccc1CSc2ncns2 62a_100000211839_100000693119 [1,0,0,0,0,1|2,0,0]=4 6297 B15R2.562 Cc1ccccc1CSc2ncns2 62a_100000693119_100000211839 [1,0,0,0,0,1|2,0,0]=4 6298 B15R2.562 Cc1ccccc1CSc2nncs2 62a_100000211839_100000739804 [1,0,0,0,0,1|2,0,0]=4 6299 B15R2.562 Cc1ccccc1CSc2nncs2 62a_100000739804_100000211839 [1,0,0,0,0,1|2,0,0]=4 6300 B15R2.562 Cc1ccccc1NCC2=NCCN2 34a_100015192222_100000737910 [1,0,0,0,0,1|0,0,2]=4 6301 B15R2.562 Cc1ccccc1NCc2c[nH]cn2 34a_100015192222_100000707719 [1,0,0,0,0,1|2,0,0]=4 6302 B15R2.562 Cc1ccccc1NCc2cc[nH]n2 207a_100015192222_100000738523 [1,0,0,0,0,1|2,0,0]=4 6303 B15R2.562 Cc1ccccc1NCc2ccco2 207a_100015192222_100000186105 [1,0,0,0,0,1|2,0,0]=4 6304 B15R2.562 Cc1ccccc1NCc2ccco2 270302a_100015192222_100000186105 [1,0,0,0,0,1|2,0,0]=4 6305 B15R2.562 Cc1ccccc1NCc2cccs2 207a_100015192222_100000209959 [1,0,0,0,0,1|2,0,0]=4 6306 B15R2.562 Cc1ccccc1NCc2cccs2 270302a_100015192222_100000209959 [1,0,0,0,0,1|2,0,0]=4 6307 B15R2.562 Cc1ccccc1NCc2ccn[nH]2 34a_100015192222_100000728653 [1,0,0,0,0,1|2,0,0]=4 6308 B15R2.562 Cc1ccccc1NCc2ccon2 34a_100015192222_100000234950 [1,0,0,0,0,1|2,0,0]=4 6309 B15R2.562 Cc1ccccc1NCc2cnc[nH]2 207a_100015192222_100000742939 [1,0,0,0,0,1|2,0,0]=4 6310 B15R2.562 Cc1ccccc1NCc2cscn2 207a_100015192222_100000743575 [1,0,0,0,0,1|2,0,0]=4 6311 B15R2.562 Cc1ccccc1NCc2cscn2 270302a_100015192222_100000743575 [1,0,0,0,0,1|2,0,0]=4 6312 B15R2.562 Cc1ccccc1NCc2cscn2 34a_100015192222_100000205941 [1,0,0,0,0,1|2,0,0]=4 6313 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 207a_100015192222_100000743867 [1,0,0,0,0,1|0,0,0]=2 6314 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 34a_100015192222_100016991755 [1,0,0,0,0,1|0,0,0]=2 6315 B15R2.562 Cc1ccccc1NCc2ncco2 34a_100015192222_103436540062 [1,0,0,0,0,1|1,0,0]=3 6316 B15R2.562 Cc1ccccc1NCc2nccs2 207a_100015192222_100000750902 [1,0,0,0,0,1|1,0,0]=3 6317 B15R2.562 Cc1ccccc1NCc2nccs2 270302a_100015192222_100000750902 [1,0,0,0,0,1|1,0,0]=3 6318 B15R2.562 Cc1ccccc1NCc2nccs2 34a_100015192222_100015184050 [1,0,0,0,0,1|1,0,0]=3 6319 B15R2.562 Cc1ccccc1NCc2ncon2 34a_100015192222_100000233494 [1,0,0,0,0,1|1,0,1]=4 6320 B15R2.562 Cc1ccccc1NCc2nnn[nH]2 34a_100015192222_100000765167 [1,0,0,0,0,1|2,0,0]=4 6321 B15R2.562 Cc1ccccc1OCC2=NCCN2 34a_100000210338_100000737910 [1,0,0,0,0,1|0,0,2]=4 6322 B15R2.562 Cc1ccccc1OCC2=NCCN2 7a_100000210338_100000737910 [1,0,0,0,0,1|0,0,2]=4 6323 B15R2.562 Cc1ccccc1OCc2c[nH]cn2 34a_100000210338_100000707719 [1,0,0,0,0,1|2,0,0]=4 6324 B15R2.562 Cc1ccccc1OCc2ccn[nH]2 34a_100000210338_100000728653 [1,0,0,0,0,1|2,0,0]=4 6325 B15R2.562 Cc1ccccc1OCc2ccn[nH]2 7a_100000210338_100000728653 [1,0,0,0,0,1|2,0,0]=4 6326 B15R2.562 Cc1ccccc1OCc2ccon2 34a_100000210338_100000234950 [1,0,0,0,0,1|2,0,0]=4 6327 B15R2.562 Cc1ccccc1OCc2ccon2 7a_100000210338_100000234950 [1,0,0,0,0,1|2,0,0]=4 6328 B15R2.562 Cc1ccccc1OCc2cscn2 34a_100000210338_100000205941 [1,0,0,0,0,1|2,0,0]=4 6329 B15R2.562 Cc1ccccc1OCc2cscn2 7a_100000210338_100000205941 [1,0,0,0,0,1|2,0,0]=4 6330 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 34a_100000210338_100016991755 [1,0,0,0,0,1|0,0,0]=2 6331 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 7a_100000210338_100000753453 [1,0,0,0,0,1|0,0,0]=2 6332 B15R2.562 Cc1ccccc1OCc2ncco2 34a_100000210338_103436540062 [1,0,0,0,0,1|1,0,0]=3 6333 B15R2.562 Cc1ccccc1OCc2ncco2 7a_100000210338_103436540062 [1,0,0,0,0,1|1,0,0]=3 6334 B15R2.562 Cc1ccccc1OCc2nccs2 34a_100000210338_100015184050 [1,0,0,0,0,1|1,0,0]=3 6335 B15R2.562 Cc1ccccc1OCc2nccs2 7a_100000210338_100015184050 [1,0,0,0,0,1|1,0,0]=3 6336 B15R2.562 Cc1ccccc1OCc2ncon2 34a_100000210338_100000233494 [1,0,0,0,0,1|1,0,1]=4 6337 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 34a_100000210338_100000765167 [1,0,0,0,0,1|2,0,0]=4 6338 B15R2.562 Cc1ccccc1OCc2nnn[nH]2 7a_100000210338_100000765167 [1,0,0,0,0,1|2,0,0]=4 6339 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000210755_100000737910 [1,0,0,0,0,1|0,0,2]=4 6340 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210755 [1,0,0,0,0,1|0,0,2]=4 6341 B15R2.562 Cc1ccccc1SCc2c[nH]cn2 62a_100000210755_100000707719 [1,0,0,0,0,1|2,0,0]=4 6342 B15R2.562 Cc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000210755 [1,0,0,0,0,1|2,0,0]=4 6343 B15R2.562 Cc1ccccc1SCc2ccn[nH]2 62a_100000210755_100000728653 [1,0,0,0,0,1|2,0,0]=4 6344 B15R2.562 Cc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000210755 [1,0,0,0,0,1|2,0,0]=4 6345 B15R2.562 Cc1ccccc1SCc2ccon2 62a_100000210755_100000234950 [1,0,0,0,0,1|2,0,0]=4 6346 B15R2.562 Cc1ccccc1SCc2ccon2 62a_100000234950_100000210755 [1,0,0,0,0,1|2,0,0]=4 6347 B15R2.562 Cc1ccccc1SCc2cscn2 62a_100000205941_100000210755 [1,0,0,0,0,1|2,0,0]=4 6348 B15R2.562 Cc1ccccc1SCc2cscn2 62a_100000210755_100000205941 [1,0,0,0,0,1|2,0,0]=4 6349 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100000210755_100016991755 [1,0,0,0,0,1|0,0,0]=2 6350 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000210755 [1,0,0,0,0,1|0,0,0]=2 6351 B15R2.562 Cc1ccccc1SCc2ncco2 62a_100000210755_103436540062 [1,0,0,0,0,1|1,0,0]=3 6352 B15R2.562 Cc1ccccc1SCc2ncco2 62a_103436540062_100000210755 [1,0,0,0,0,1|1,0,0]=3 6353 B15R2.562 Cc1ccccc1SCc2nccs2 62a_100000210755_100015184050 [1,0,0,0,0,1|1,0,0]=3 6354 B15R2.562 Cc1ccccc1SCc2nccs2 62a_100015184050_100000210755 [1,0,0,0,0,1|1,0,0]=3 6355 B15R2.562 Cc1ccccc1SCc2ncon2 62a_100000210755_100000233494 [1,0,0,0,0,1|1,0,1]=4 6356 B15R2.562 Cc1ccccc1SCc2ncon2 62a_100000233494_100000210755 [1,0,0,0,0,1|1,0,1]=4 6357 B15R2.562 Cc1ccccc1SCc2nnn[nH]2 62a_100000210755_100000765167 [1,0,0,0,0,1|2,0,0]=4 6358 B15R2.562 Cc1ccccc1SCc2nnn[nH]2 62a_100000765167_100000210755 [1,0,0,0,0,1|2,0,0]=4 6359 B15R2.562 Cc1cccnc1CSc2ncc[nH]2 62a_100000696600_100025796157 [1,0,0,0,0,1|1,0,0]=3 6360 B15R2.562 Cc1cccnc1CSc2ncc[nH]2 62a_100025796157_100000696600 [1,0,0,0,0,1|1,0,0]=3 6361 B15R2.562 Cc1cccnc1CSc2ncco2 62a_100000696600_100011787736 [1,0,0,0,0,1|2,0,0]=4 6362 B15R2.562 Cc1cccnc1CSc2ncco2 62a_100011787736_100000696600 [1,0,0,0,0,1|2,0,0]=4 6363 B15R2.562 Cc1cccnc1CSc2nccs2 62a_100000211983_100000696600 [1,0,0,0,0,1|2,0,0]=4 6364 B15R2.562 Cc1cccnc1CSc2nccs2 62a_100000696600_100000211983 [1,0,0,0,0,1|2,0,0]=4 6365 B15R2.562 Cc1cccnc1SCc2ncc[nH]2 62a_100000751373_100016991755 [1,0,0,0,0,1|1,0,0]=3 6366 B15R2.562 Cc1cccnc1SCc2ncc[nH]2 62a_100016991755_100000751373 [1,0,0,0,0,1|1,0,0]=3 6367 B15R2.562 Cc1cccnc1SCc2ncco2 62a_100000751373_103436540062 [1,0,0,0,0,1|2,0,0]=4 6368 B15R2.562 Cc1cccnc1SCc2ncco2 62a_103436540062_100000751373 [1,0,0,0,0,1|2,0,0]=4 6369 B15R2.562 Cc1cccnc1SCc2nccs2 62a_100000751373_100015184050 [1,0,0,0,0,1|2,0,0]=4 6370 B15R2.562 Cc1cccnc1SCc2nccs2 62a_100015184050_100000751373 [1,0,0,0,0,1|2,0,0]=4 6371 B15R2.562 Cc1ccncc1CSc2ncc[nH]2 62a_100000690890_100025796157 [1,0,0,0,0,1|1,0,0]=3 6372 B15R2.562 Cc1ccncc1CSc2ncc[nH]2 62a_100025796157_100000690890 [1,0,0,0,0,1|1,0,0]=3 6373 B15R2.562 Cc1ccncc1CSc2ncco2 62a_100000690890_100011787736 [1,0,0,0,0,1|2,0,0]=4 6374 B15R2.562 Cc1ccncc1CSc2ncco2 62a_100011787736_100000690890 [1,0,0,0,0,1|2,0,0]=4 6375 B15R2.562 Cc1ccncc1CSc2nccs2 62a_100000211983_100000690890 [1,0,0,0,0,1|2,0,0]=4 6376 B15R2.562 Cc1ccncc1CSc2nccs2 62a_100000690890_100000211983 [1,0,0,0,0,1|2,0,0]=4 6377 B15R2.562 Cc1ccncc1OCc2ncc[nH]2 34a_100011997053_100016991755 [1,0,0,0,0,1|1,0,0]=3 6378 B15R2.562 Cc1ccncc1OCc2ncc[nH]2 7a_100011997053_100000753453 [1,0,0,0,0,1|1,0,0]=3 6379 B15R2.562 Cc1ccncc1OCc2ncco2 34a_100011997053_103436540062 [1,0,0,0,0,1|2,0,0]=4 6380 B15R2.562 Cc1ccncc1OCc2ncco2 7a_100011997053_103436540062 [1,0,0,0,0,1|2,0,0]=4 6381 B15R2.562 Cc1ccncc1OCc2nccs2 34a_100011997053_100015184050 [1,0,0,0,0,1|2,0,0]=4 6382 B15R2.562 Cc1ccncc1OCc2nccs2 7a_100011997053_100015184050 [1,0,0,0,0,1|2,0,0]=4 6383 B15R2.562 Cc1ccncc1SCc2ncc[nH]2 62a_100000761580_100016991755 [1,0,0,0,0,1|1,0,0]=3 6384 B15R2.562 Cc1ccncc1SCc2ncc[nH]2 62a_100016991755_100000761580 [1,0,0,0,0,1|1,0,0]=3 6385 B15R2.562 Cc1ccncc1SCc2ncco2 62a_100000761580_103436540062 [1,0,0,0,0,1|2,0,0]=4 6386 B15R2.562 Cc1ccncc1SCc2ncco2 62a_103436540062_100000761580 [1,0,0,0,0,1|2,0,0]=4 6387 B15R2.562 Cc1ccncc1SCc2nccs2 62a_100000761580_100015184050 [1,0,0,0,0,1|2,0,0]=4 6388 B15R2.562 Cc1ccncc1SCc2nccs2 62a_100015184050_100000761580 [1,0,0,0,0,1|2,0,0]=4 6389 B15R2.562 Cc1ccnnc1NCc2ncc[nH]2 27a_100000754540_100000089043 [1,0,0,0,0,1|2,0,0]=4 6390 B15R2.562 Cc1ccnnc1SCc2ncc[nH]2 62a_100016991755_100000089043 [1,0,0,0,0,1|2,0,0]=4 6391 B15R2.562 Cc1cnccc1CSc2ncc[nH]2 62a_100020672808_100025796157 [1,0,0,0,0,1|1,0,0]=3 6392 B15R2.562 Cc1cnccc1CSc2ncc[nH]2 62a_100025796157_100020672808 [1,0,0,0,0,1|1,0,0]=3 6393 B15R2.562 Cc1cnccc1CSc2ncco2 62a_100011787736_100020672808 [1,0,0,0,0,1|2,0,0]=4 6394 B15R2.562 Cc1cnccc1CSc2ncco2 62a_100020672808_100011787736 [1,0,0,0,0,1|2,0,0]=4 6395 B15R2.562 Cc1cnccc1CSc2nccs2 62a_100000211983_100020672808 [1,0,0,0,0,1|2,0,0]=4 6396 B15R2.562 Cc1cnccc1CSc2nccs2 62a_100020672808_100000211983 [1,0,0,0,0,1|2,0,0]=4 6397 B15R2.562 Cc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000765111 [1,0,0,0,0,1|1,0,0]=3 6398 B15R2.562 Cc1cnccc1NCc2ncco2 27a_100016994969_100000765111 [1,0,0,0,0,1|2,0,0]=4 6399 B15R2.562 Cc1cnccc1NCc2nccs2 27a_100000740555_100000765111 [1,0,0,0,0,1|2,0,0]=4 6400 B15R2.562 Cc1cnccc1NCc2nnc[nH]2 27a_200015183720_100000765111 [1,0,0,0,0,1|2,0,0]=4 6401 B15R2.562 Cc1cnccc1OCc2ncc[nH]2 34a_100000694293_100016991755 [1,0,0,0,0,1|1,0,0]=3 6402 B15R2.562 Cc1cnccc1OCc2ncco2 34a_100000694293_103436540062 [1,0,0,0,0,1|2,0,0]=4 6403 B15R2.562 Cc1cnccc1OCc2nccs2 34a_100000694293_100015184050 [1,0,0,0,0,1|2,0,0]=4 6404 B15R2.562 Cc1cnccc1SCc2ncc[nH]2 62a_100000765111_100016991755 [1,0,0,0,0,1|1,0,0]=3 6405 B15R2.562 Cc1cnccc1SCc2ncc[nH]2 62a_100016991755_100000765111 [1,0,0,0,0,1|1,0,0]=3 6406 B15R2.562 Cc1cnccc1SCc2ncco2 62a_100000765111_103436540062 [1,0,0,0,0,1|2,0,0]=4 6407 B15R2.562 Cc1cnccc1SCc2ncco2 62a_103436540062_100000765111 [1,0,0,0,0,1|2,0,0]=4 6408 B15R2.562 Cc1cnccc1SCc2nccs2 62a_100000765111_100015184050 [1,0,0,0,0,1|2,0,0]=4 6409 B15R2.562 Cc1cnccc1SCc2nccs2 62a_100015184050_100000765111 [1,0,0,0,0,1|2,0,0]=4 6410 B15R2.562 Cc1cncnc1NCc2ncc[nH]2 27a_100000754540_100011998708 [1,0,0,0,0,1|2,0,0]=4 6411 B15R2.562 Cc1cncnc1SCc2ncc[nH]2 62a_100011998708_100016991755 [1,0,0,0,0,1|2,0,0]=4 6412 B15R2.562 Cc1cncnc1SCc2ncc[nH]2 62a_100016991755_100011998708 [1,0,0,0,0,1|2,0,0]=4 6413 B15R2.562 Cc1ncccc1CSc2ncc[nH]2 62a_100000732876_100025796157 [1,0,0,0,0,1|1,0,0]=3 6414 B15R2.562 Cc1ncccc1CSc2ncc[nH]2 62a_100025796157_100000732876 [1,0,0,0,0,1|1,0,0]=3 6415 B15R2.562 Cc1ncccc1CSc2ncco2 62a_100000732876_100011787736 [1,0,0,0,0,1|2,0,0]=4 6416 B15R2.562 Cc1ncccc1CSc2ncco2 62a_100011787736_100000732876 [1,0,0,0,0,1|2,0,0]=4 6417 B15R2.562 Cc1ncccc1CSc2nccs2 62a_100000211983_100000732876 [1,0,0,0,0,1|2,0,0]=4 6418 B15R2.562 Cc1ncccc1CSc2nccs2 62a_100000732876_100000211983 [1,0,0,0,0,1|2,0,0]=4 6419 B15R2.562 Cc1ncccc1OCc2ncc[nH]2 34a_100000745507_100016991755 [1,0,0,0,0,1|1,0,0]=3 6420 B15R2.562 Cc1ncccc1OCc2ncc[nH]2 7a_100000745507_100000753453 [1,0,0,0,0,1|1,0,0]=3 6421 B15R2.562 Cc1ncccc1OCc2ncco2 34a_100000745507_103436540062 [1,0,0,0,0,1|2,0,0]=4 6422 B15R2.562 Cc1ncccc1OCc2ncco2 7a_100000745507_103436540062 [1,0,0,0,0,1|2,0,0]=4 6423 B15R2.562 Cc1ncccc1OCc2nccs2 34a_100000745507_100015184050 [1,0,0,0,0,1|2,0,0]=4 6424 B15R2.562 Cc1ncccc1OCc2nccs2 7a_100000745507_100015184050 [1,0,0,0,0,1|2,0,0]=4 6425 B15R2.562 Cc1ncccc1SCc2ncc[nH]2 62a_100000751574_100016991755 [1,0,0,0,0,1|1,0,0]=3 6426 B15R2.562 Cc1ncccc1SCc2ncc[nH]2 62a_100016991755_100000751574 [1,0,0,0,0,1|1,0,0]=3 6427 B15R2.562 Cc1ncccc1SCc2ncco2 62a_100000751574_103436540062 [1,0,0,0,0,1|2,0,0]=4 6428 B15R2.562 Cc1ncccc1SCc2ncco2 62a_103436540062_100000751574 [1,0,0,0,0,1|2,0,0]=4 6429 B15R2.562 Cc1ncccc1SCc2nccs2 62a_100000751574_100015184050 [1,0,0,0,0,1|2,0,0]=4 6430 B15R2.562 Cc1ncccc1SCc2nccs2 62a_100015184050_100000751574 [1,0,0,0,0,1|2,0,0]=4 6431 B15R2.562 Cc1nccnc1NCc2ncc[nH]2 27a_100000754540_100011999405 [1,0,0,0,0,1|2,0,0]=4 6432 B15R2.562 Cc1nccnc1OCc2ncc[nH]2 34a_100000766352_100016991755 [1,0,0,0,0,1|2,0,0]=4 6433 B15R2.562 Cc1nccnc1SCc2ncc[nH]2 62a_100011999405_100016991755 [1,0,0,0,0,1|2,0,0]=4 6434 B15R2.562 Cc1nccnc1SCc2ncc[nH]2 62a_100016991755_100011999405 [1,0,0,0,0,1|2,0,0]=4 6435 B15R2.562 Cc1ncncc1SCc2ncc[nH]2 62a_100009819671_100016991755 [1,0,0,0,0,1|2,0,0]=4 6436 B15R2.562 Cc1ncncc1SCc2ncc[nH]2 62a_100016991755_100009819671 [1,0,0,0,0,1|2,0,0]=4 6437 B15R2.562 Clc1ccccc1CSc2ncc[nH]2 62a_100000187162_100025796157 [1,0,0,0,0,1|1,0,0]=3 6438 B15R2.562 Clc1ccccc1CSc2ncc[nH]2 62a_100025796157_100000187162 [1,0,0,0,0,1|1,0,0]=3 6439 B15R2.562 Clc1ccccc1CSc2ncco2 62a_100000187162_100011787736 [1,0,0,0,0,1|2,0,0]=4 6440 B15R2.562 Clc1ccccc1CSc2ncco2 62a_100011787736_100000187162 [1,0,0,0,0,1|2,0,0]=4 6441 B15R2.562 Clc1ccccc1CSc2nccs2 62a_100000187162_100000211983 [1,0,0,0,0,1|2,0,0]=4 6442 B15R2.562 Clc1ccccc1CSc2nccs2 62a_100000211983_100000187162 [1,0,0,0,0,1|2,0,0]=4 6443 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 207a_100000185783_100000743867 [1,0,0,0,0,1|1,0,0]=3 6444 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 34a_100000185783_100016991755 [1,0,0,0,0,1|1,0,0]=3 6445 B15R2.562 Clc1ccccc1NCc2ncco2 34a_100000185783_103436540062 [1,0,0,0,0,1|2,0,0]=4 6446 B15R2.562 Clc1ccccc1NCc2nccs2 207a_100000185783_100000750902 [1,0,0,0,0,1|2,0,0]=4 6447 B15R2.562 Clc1ccccc1NCc2nccs2 34a_100000185783_100015184050 [1,0,0,0,0,1|2,0,0]=4 6448 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 34a_100000210172_100016991755 [1,0,0,0,0,1|1,0,0]=3 6449 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 7a_100000210172_100000753453 [1,0,0,0,0,1|1,0,0]=3 6450 B15R2.562 Clc1ccccc1OCc2ncco2 34a_100000210172_103436540062 [1,0,0,0,0,1|2,0,0]=4 6451 B15R2.562 Clc1ccccc1OCc2ncco2 7a_100000210172_103436540062 [1,0,0,0,0,1|2,0,0]=4 6452 B15R2.562 Clc1ccccc1OCc2nccs2 34a_100000210172_100015184050 [1,0,0,0,0,1|2,0,0]=4 6453 B15R2.562 Clc1ccccc1OCc2nccs2 7a_100000210172_100015184050 [1,0,0,0,0,1|2,0,0]=4 6454 B15R2.562 Clc1ccccc1SCc2ncc[nH]2 62a_100000764095_100016991755 [1,0,0,0,0,1|1,0,0]=3 6455 B15R2.562 Clc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000764095 [1,0,0,0,0,1|1,0,0]=3 6456 B15R2.562 Clc1ccccc1SCc2ncco2 62a_100000764095_103436540062 [1,0,0,0,0,1|2,0,0]=4 6457 B15R2.562 Clc1ccccc1SCc2ncco2 62a_103436540062_100000764095 [1,0,0,0,0,1|2,0,0]=4 6458 B15R2.562 Clc1ccccc1SCc2nccs2 62a_100000764095_100015184050 [1,0,0,0,0,1|2,0,0]=4 6459 B15R2.562 Clc1ccccc1SCc2nccs2 62a_100015184050_100000764095 [1,0,0,0,0,1|2,0,0]=4 6460 B15R2.562 Clc1cccnc1CSc2ncc[nH]2 62a_100000099807_100025796157 [1,0,0,0,0,1|2,0,0]=4 6461 B15R2.562 Clc1cccnc1CSc2ncc[nH]2 62a_100025796157_100000099807 [1,0,0,0,0,1|2,0,0]=4 6462 B15R2.562 Clc1cccnc1OCc2ncc[nH]2 34a_100011290957_100016991755 [1,0,0,0,0,1|2,0,0]=4 6463 B15R2.562 Clc1cccnc1SCc2ncc[nH]2 62a_100011356963_100016991755 [1,0,0,0,0,1|2,0,0]=4 6464 B15R2.562 Clc1cccnc1SCc2ncc[nH]2 62a_100016991755_100011356963 [1,0,0,0,0,1|2,0,0]=4 6465 B15R2.562 Clc1ccncc1OCc2ncc[nH]2 34a_100011996695_100016991755 [1,0,0,0,0,1|2,0,0]=4 6466 B15R2.562 Clc1ccncc1SCc2ncc[nH]2 62a_100009995489_100016991755 [1,0,0,0,0,1|2,0,0]=4 6467 B15R2.562 Clc1ccncc1SCc2ncc[nH]2 62a_100016991755_100009995489 [1,0,0,0,0,1|2,0,0]=4 6468 B15R2.562 Clc1cnccc1CSc2ncc[nH]2 62a_100000763264_100025796157 [1,0,0,0,0,1|2,0,0]=4 6469 B15R2.562 Clc1cnccc1CSc2ncc[nH]2 62a_100025796157_100000763264 [1,0,0,0,0,1|2,0,0]=4 6470 B15R2.562 Clc1cnccc1OCc2ncc[nH]2 34a_100011997054_100016991755 [1,0,0,0,0,1|2,0,0]=4 6471 B15R2.562 Clc1cnccc1SCc2ncc[nH]2 62a_100000708259_100016991755 [1,0,0,0,0,1|2,0,0]=4 6472 B15R2.562 Clc1cnccc1SCc2ncc[nH]2 62a_100016991755_100000708259 [1,0,0,0,0,1|2,0,0]=4 6473 B15R2.562 Clc1ncccc1CSc2ncc[nH]2 62a_100000045678_100025796157 [1,0,0,0,0,1|2,0,0]=4 6474 B15R2.562 Clc1ncccc1CSc2ncc[nH]2 62a_100025796157_100000045678 [1,0,0,0,0,1|2,0,0]=4 6475 B15R2.562 Clc1ncccc1OCc2ncc[nH]2 34a_100000757616_100016991755 [1,0,0,0,0,1|2,0,0]=4 6476 B15R2.562 Clc1ncccc1OCc2ncc[nH]2 7a_100000757616_100000753453 [1,0,0,0,0,1|2,0,0]=4 6477 B15R2.562 Clc1ncccc1SCc2ncc[nH]2 62a_100000036424_100016991755 [1,0,0,0,0,1|2,0,0]=4 6478 B15R2.562 Clc1ncccc1SCc2ncc[nH]2 62a_100016991755_100000036424 [1,0,0,0,0,1|2,0,0]=4 6479 B15R2.562 Fc1ccccc1C=Cc2ncc[nH]2 271570a_200102527919_100025796157 [1,0,0,0,0,1|1,0,1]=4 6480 B15R2.562 Fc1ccccc1CSc2ncc[nH]2 62a_100000211605_100025796157 [1,0,0,0,0,1|1,0,0]=3 6481 B15R2.562 Fc1ccccc1CSc2ncc[nH]2 62a_100025796157_100000211605 [1,0,0,0,0,1|1,0,0]=3 6482 B15R2.562 Fc1ccccc1CSc2ncco2 62a_100000211605_100011787736 [1,0,0,0,0,1|2,0,0]=4 6483 B15R2.562 Fc1ccccc1CSc2ncco2 62a_100011787736_100000211605 [1,0,0,0,0,1|2,0,0]=4 6484 B15R2.562 Fc1ccccc1CSc2nccs2 62a_100000211605_100000211983 [1,0,0,0,0,1|2,0,0]=4 6485 B15R2.562 Fc1ccccc1CSc2nccs2 62a_100000211983_100000211605 [1,0,0,0,0,1|2,0,0]=4 6486 B15R2.562 Fc1ccccc1NCc2ncc[nH]2 207a_100000210422_100000743867 [1,0,0,0,0,1|1,0,0]=3 6487 B15R2.562 Fc1ccccc1NCc2ncc[nH]2 34a_100000210422_100016991755 [1,0,0,0,0,1|1,0,0]=3 6488 B15R2.562 Fc1ccccc1NCc2ncco2 34a_100000210422_103436540062 [1,0,0,0,0,1|2,0,0]=4 6489 B15R2.562 Fc1ccccc1NCc2nccs2 207a_100000210422_100000750902 [1,0,0,0,0,1|2,0,0]=4 6490 B15R2.562 Fc1ccccc1NCc2nccs2 34a_100000210422_100015184050 [1,0,0,0,0,1|2,0,0]=4 6491 B15R2.562 Fc1ccccc1OCc2ncc[nH]2 34a_100000210171_100016991755 [1,0,0,0,0,1|1,0,0]=3 6492 B15R2.562 Fc1ccccc1OCc2ncc[nH]2 7a_100000210171_100000753453 [1,0,0,0,0,1|1,0,0]=3 6493 B15R2.562 Fc1ccccc1OCc2ncco2 34a_100000210171_103436540062 [1,0,0,0,0,1|2,0,0]=4 6494 B15R2.562 Fc1ccccc1OCc2ncco2 7a_100000210171_103436540062 [1,0,0,0,0,1|2,0,0]=4 6495 B15R2.562 Fc1ccccc1OCc2nccs2 34a_100000210171_100015184050 [1,0,0,0,0,1|2,0,0]=4 6496 B15R2.562 Fc1ccccc1OCc2nccs2 7a_100000210171_100015184050 [1,0,0,0,0,1|2,0,0]=4 6497 B15R2.562 Fc1ccccc1SCc2ncc[nH]2 62a_100011215700_100016991755 [1,0,0,0,0,1|1,0,0]=3 6498 B15R2.562 Fc1ccccc1SCc2ncc[nH]2 62a_100016991755_100011215700 [1,0,0,0,0,1|1,0,0]=3 6499 B15R2.562 Fc1ccccc1SCc2ncco2 62a_100011215700_103436540062 [1,0,0,0,0,1|2,0,0]=4 6500 B15R2.562 Fc1ccccc1SCc2ncco2 62a_103436540062_100011215700 [1,0,0,0,0,1|2,0,0]=4 6501 B15R2.562 Fc1ccccc1SCc2nccs2 62a_100011215700_100015184050 [1,0,0,0,0,1|2,0,0]=4 6502 B15R2.562 Fc1ccccc1SCc2nccs2 62a_100015184050_100011215700 [1,0,0,0,0,1|2,0,0]=4 6503 B15R2.562 Fc1cccnc1CSc2ncc[nH]2 62a_100000104219_100025796157 [1,0,0,0,0,1|2,0,0]=4 6504 B15R2.562 Fc1cccnc1CSc2ncc[nH]2 62a_100025796157_100000104219 [1,0,0,0,0,1|2,0,0]=4 6505 B15R2.562 Fc1cccnc1OCc2ncc[nH]2 34a_100011219419_100016991755 [1,0,0,0,0,1|2,0,0]=4 6506 B15R2.562 Fc1cccnc1SCc2ncc[nH]2 62a_100000685392_100016991755 [1,0,0,0,0,1|2,0,0]=4 6507 B15R2.562 Fc1cccnc1SCc2ncc[nH]2 62a_100016991755_100000685392 [1,0,0,0,0,1|2,0,0]=4 6508 B15R2.562 Fc1ccncc1SCc2ncc[nH]2 62a_100009820683_100016991755 [1,0,0,0,0,1|2,0,0]=4 6509 B15R2.562 Fc1ccncc1SCc2ncc[nH]2 62a_100016991755_100009820683 [1,0,0,0,0,1|2,0,0]=4 6510 B15R2.562 Fc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000035921 [1,0,0,0,0,1|2,0,0]=4 6511 B15R2.562 Fc1cnccc1OCc2ncc[nH]2 34a_200000081243_100016991755 [1,0,0,0,0,1|2,0,0]=4 6512 B15R2.562 Fc1cnccc1SCc2ncc[nH]2 62a_100000047030_100016991755 [1,0,0,0,0,1|2,0,0]=4 6513 B15R2.562 Fc1cnccc1SCc2ncc[nH]2 62a_100016991755_100000047030 [1,0,0,0,0,1|2,0,0]=4 6514 B15R2.562 Fc1ncccc1CSc2ncc[nH]2 62a_100000099810_100025796157 [1,0,0,0,0,1|2,0,0]=4 6515 B15R2.562 Fc1ncccc1CSc2ncc[nH]2 62a_100025796157_100000099810 [1,0,0,0,0,1|2,0,0]=4 6516 B15R2.562 Fc1ncccc1OCc2ncc[nH]2 34a_100000061740_100016991755 [1,0,0,0,0,1|2,0,0]=4 6517 B15R2.562 Fc1ncccc1OCc2ncc[nH]2 7a_100000061740_100000753453 [1,0,0,0,0,1|2,0,0]=4 6518 B15R2.562 Fc1ncccc1SCc2ncc[nH]2 62a_100009816115_100016991755 [1,0,0,0,0,1|2,0,0]=4 6519 B15R2.562 Fc1ncccc1SCc2ncc[nH]2 62a_100016991755_100009816115 [1,0,0,0,0,1|2,0,0]=4 6520 B15R2.562 Ic1ccccc1CSc2ncc[nH]2 62a_100011216222_100025796157 [1,0,0,0,0,1|1,0,0]=3 6521 B15R2.562 Ic1ccccc1CSc2ncc[nH]2 62a_100025796157_100011216222 [1,0,0,0,0,1|1,0,0]=3 6522 B15R2.562 Ic1ccccc1CSc2ncco2 62a_100011216222_100011787736 [1,0,0,0,0,1|2,0,0]=4 6523 B15R2.562 Ic1ccccc1CSc2ncco2 62a_100011787736_100011216222 [1,0,0,0,0,1|2,0,0]=4 6524 B15R2.562 Ic1ccccc1CSc2nccs2 62a_100000211983_100011216222 [1,0,0,0,0,1|2,0,0]=4 6525 B15R2.562 Ic1ccccc1CSc2nccs2 62a_100011216222_100000211983 [1,0,0,0,0,1|2,0,0]=4 6526 B15R2.562 Ic1ccccc1NCc2ncc[nH]2 207a_100000210053_100000743867 [1,0,0,0,0,1|1,0,0]=3 6527 B15R2.562 Ic1ccccc1NCc2ncc[nH]2 34a_100000210053_100016991755 [1,0,0,0,0,1|1,0,0]=3 6528 B15R2.562 Ic1ccccc1NCc2ncco2 34a_100000210053_103436540062 [1,0,0,0,0,1|2,0,0]=4 6529 B15R2.562 Ic1ccccc1NCc2nccs2 207a_100000210053_100000750902 [1,0,0,0,0,1|2,0,0]=4 6530 B15R2.562 Ic1ccccc1NCc2nccs2 34a_100000210053_100015184050 [1,0,0,0,0,1|2,0,0]=4 6531 B15R2.562 Ic1ccccc1OCc2ncc[nH]2 34a_100000739446_100016991755 [1,0,0,0,0,1|1,0,0]=3 6532 B15R2.562 Ic1ccccc1OCc2ncc[nH]2 7a_100000739446_100000753453 [1,0,0,0,0,1|1,0,0]=3 6533 B15R2.562 Ic1ccccc1OCc2ncco2 34a_100000739446_103436540062 [1,0,0,0,0,1|2,0,0]=4 6534 B15R2.562 Ic1ccccc1OCc2ncco2 7a_100000739446_103436540062 [1,0,0,0,0,1|2,0,0]=4 6535 B15R2.562 Ic1ccccc1OCc2nccs2 34a_100000739446_100015184050 [1,0,0,0,0,1|2,0,0]=4 6536 B15R2.562 Ic1ccccc1OCc2nccs2 7a_100000739446_100015184050 [1,0,0,0,0,1|2,0,0]=4 6537 B15R2.562 Ic1ccncc1OCc2ncc[nH]2 34a_100000050107_100016991755 [1,0,0,0,0,1|2,0,0]=4 6538 B15R2.562 Ic1ncccc1OCc2ncc[nH]2 34a_100000034122_100016991755 [1,0,0,0,0,1|2,0,0]=4 6539 B15R2.562 Ic1ncccc1OCc2ncc[nH]2 7a_100000034122_100000753453 [1,0,0,0,0,1|2,0,0]=4 6540 B15R2.562 Nc1ccccc1OCc2ncc[nH]2 34a_100000185747_100016991755 [1,0,0,0,0,1|1,0,0]=3 6541 B15R2.562 Nc1ccccc1OCc2ncc[nH]2 7a_100000185747_100000753453 [1,0,0,0,0,1|1,0,0]=3 6542 B15R2.562 Nc1ccccc1OCc2ncco2 34a_100000185747_103436540062 [1,0,0,0,0,1|2,0,0]=4 6543 B15R2.562 Nc1ccccc1OCc2ncco2 7a_100000185747_103436540062 [1,0,0,0,0,1|2,0,0]=4 6544 B15R2.562 Nc1ccccc1OCc2nccs2 34a_100000185747_100015184050 [1,0,0,0,0,1|2,0,0]=4 6545 B15R2.562 Nc1ccccc1OCc2nccs2 7a_100000185747_100015184050 [1,0,0,0,0,1|2,0,0]=4 6546 B15R2.562 Nc1ccccc1SCc2ncc[nH]2 62a_100000210017_100016991755 [1,0,0,0,0,1|1,0,0]=3 6547 B15R2.562 Nc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000210017 [1,0,0,0,0,1|1,0,0]=3 6548 B15R2.562 Nc1ccccc1SCc2ncco2 62a_100000210017_103436540062 [1,0,0,0,0,1|2,0,0]=4 6549 B15R2.562 Nc1ccccc1SCc2ncco2 62a_103436540062_100000210017 [1,0,0,0,0,1|2,0,0]=4 6550 B15R2.562 Nc1ccccc1SCc2nccs2 62a_100000210017_100015184050 [1,0,0,0,0,1|2,0,0]=4 6551 B15R2.562 Nc1ccccc1SCc2nccs2 62a_100015184050_100000210017 [1,0,0,0,0,1|2,0,0]=4 6552 B15R2.562 Nc1cccnc1OCc2ncc[nH]2 34a_100000746358_100016991755 [1,0,0,0,0,1|2,0,0]=4 6553 B15R2.562 Nc1cccnc1SCc2ncc[nH]2 62a_100000688686_100016991755 [1,0,0,0,0,1|2,0,0]=4 6554 B15R2.562 Nc1cccnc1SCc2ncc[nH]2 62a_100016991755_100000688686 [1,0,0,0,0,1|2,0,0]=4 6555 B15R2.562 Nc1ccncc1OCc2ncc[nH]2 34a_100000753702_100016991755 [1,0,0,0,0,1|2,0,0]=4 6556 B15R2.562 Nc1ccncc1SCc2ncc[nH]2 62a_100000047001_100016991755 [1,0,0,0,0,1|2,0,0]=4 6557 B15R2.562 Nc1ccncc1SCc2ncc[nH]2 62a_100016991755_100000047001 [1,0,0,0,0,1|2,0,0]=4 6558 B15R2.562 Nc1cnccc1SCc2ncc[nH]2 62a_100000756074_100016991755 [1,0,0,0,0,1|2,0,0]=4 6559 B15R2.562 Nc1cnccc1SCc2ncc[nH]2 62a_100016991755_100000756074 [1,0,0,0,0,1|2,0,0]=4 6560 B15R2.562 Nc1ncccc1OCc2ncc[nH]2 34a_100000211975_100016991755 [1,0,0,0,0,1|2,0,0]=4 6561 B15R2.562 Nc1ncccc1OCc2ncc[nH]2 7a_100000211975_100000753453 [1,0,0,0,0,1|2,0,0]=4 6562 B15R2.562 Nc1ncccc1SCc2ncc[nH]2 62a_100000045569_100016991755 [1,0,0,0,0,1|2,0,0]=4 6563 B15R2.562 Nc1ncccc1SCc2ncc[nH]2 62a_100016991755_100000045569 [1,0,0,0,0,1|2,0,0]=4 6564 B15R2.562 O=c1cc[nH]cc1SCc2ncc[nH]2 62a_100009998708_100016991755 [1,0,0,0,0,1|2,0,0]=4 6565 B15R2.562 O=c1cc[nH]cc1SCc2ncc[nH]2 62a_100016991755_100009998708 [1,0,0,0,0,1|2,0,0]=4 6566 B15R2.562 O=c1ccocc1OCc2ncc[nH]2 34a_100000060831_100016991755 [1,0,0,0,0,1|2,0,0]=4 6567 B15R2.562 O=c1occcc1OCc2ncc[nH]2 34a_100000077404_100016991755 [1,0,0,0,0,1|2,0,0]=4 6568 B15R2.562 O=c1occcc1OCc2ncc[nH]2 7a_100000077404_100000753453 [1,0,0,0,0,1|2,0,0]=4 6569 B15R2.562 Oc1ccccc1NCc2ncc[nH]2 34a_100000185747_100016991755 [1,0,0,0,0,1|1,0,0]=3 6570 B15R2.562 Oc1ccccc1NCc2ncco2 34a_100000185747_103436540062 [1,0,0,0,0,1|2,0,0]=4 6571 B15R2.562 Oc1ccccc1NCc2nccs2 34a_100000185747_100015184050 [1,0,0,0,0,1|2,0,0]=4 6572 B15R2.562 Oc1ccccc1SCc2ncc[nH]2 62a_100000739446_100016991755 [1,0,0,0,0,1|1,0,0]=3 6573 B15R2.562 Oc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000739446 [1,0,0,0,0,1|1,0,0]=3 6574 B15R2.562 Oc1ccccc1SCc2ncco2 62a_100000739446_103436540062 [1,0,0,0,0,1|2,0,0]=4 6575 B15R2.562 Oc1ccccc1SCc2ncco2 62a_103436540062_100000739446 [1,0,0,0,0,1|2,0,0]=4 6576 B15R2.562 Oc1ccccc1SCc2nccs2 62a_100000739446_100015184050 [1,0,0,0,0,1|2,0,0]=4 6577 B15R2.562 Oc1ccccc1SCc2nccs2 62a_100015184050_100000739446 [1,0,0,0,0,1|2,0,0]=4 6578 B15R2.562 Oc1cccnc1CSc2ncc[nH]2 62a_100025796157_200020655725 [1,0,0,0,0,1|2,0,0]=4 6579 B15R2.562 Oc1cccnc1CSc2ncc[nH]2 62a_200020655725_100025796157 [1,0,0,0,0,1|2,0,0]=4 6580 B15R2.562 Oc1cccnc1SCc2ncc[nH]2 62a_100000034122_100016991755 [1,0,0,0,0,1|2,0,0]=4 6581 B15R2.562 Oc1cccnc1SCc2ncc[nH]2 62a_100016991755_100000034122 [1,0,0,0,0,1|2,0,0]=4 6582 B15R2.562 Oc1cnccc1SCc2ncc[nH]2 62a_100009817591_100016991755 [1,0,0,0,0,1|2,0,0]=4 6583 B15R2.562 Oc1cnccc1SCc2ncc[nH]2 62a_100016991755_100009817591 [1,0,0,0,0,1|2,0,0]=4 6584 B15R2.562 Oc1ncccc1SCc2ncc[nH]2 62a_100000760158_100016991755 [1,0,0,0,0,1|2,0,0]=4 6585 B15R2.562 Oc1ncccc1SCc2ncc[nH]2 62a_100016991755_100000760158 [1,0,0,0,0,1|2,0,0]=4 6586 B15R2.562 S=c1cc[nH]cc1SCc2ncc[nH]2 62a_100016991755_200012280681 [1,0,0,0,0,1|2,0,0]=4 6587 B15R2.562 S=c1cc[nH]cc1SCc2ncc[nH]2 62a_200012280681_100016991755 [1,0,0,0,0,1|2,0,0]=4 6588 B15R2.562 [O-][n+]1ccccc1OCc2ncc[nH]2 7a_100000211761_100000753453 [1,0,0,0,0,1|2,0,0]=4 6589 B15R2.562 [O-][n+]1ccccc1SCc2ncc[nH]2 62a_100016991755_200000042595 [1,0,0,0,0,1|2,0,0]=4 6590 B15R2.7344 Cc1n[nH]c(c1OCc2ncc[nH]2)C 34a_100012186652_100016991755 [0,0,0,0,1,1|2,0,0]=4 6591 B15R2.7344 Cc1n[nH]c(c1SCc2ncc[nH]2)C 62a_100000238710_100016991755 [0,0,0,0,1,1|2,0,0]=4 6592 B15R2.7344 Cc1n[nH]c(c1SCc2ncc[nH]2)C 62a_100016991755_100000238710 [0,0,0,0,1,1|2,0,0]=4 6593 B15R2.7344 Cc1noc(c1CSc2ncc[nH]2)C 62a_100000184612_100025796157 [0,0,0,0,1,1|2,0,0]=4 6594 B15R2.7344 Cc1noc(c1CSc2ncc[nH]2)C 62a_100025796157_100000184612 [0,0,0,0,1,1|2,0,0]=4 6595 B15R2.7344 Cc1noc(c1SCc2ncc[nH]2)C 62a_100000694658_100016991755 [0,0,0,0,1,1|2,0,0]=4 6596 B15R2.7344 Cc1noc(c1SCc2ncc[nH]2)C 62a_100016991755_100000694658 [0,0,0,0,1,1|2,0,0]=4 6597 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)C 271570a_100102525586_100000033847 [0,0,0,0,0,2|1,0,1]=4 6598 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 207a_100000106764_100000758299 [0,0,0,0,0,2|2,0,0]=4 6599 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 270302a_100000106764_100000758299 [0,0,0,0,0,2|2,0,0]=4 6600 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 34a_100000106764_100000758300 [0,0,0,0,0,2|2,0,0]=4 6601 B17R2.3933 Cc1cccc(c1CNc2cccnn2)C 27a_100000689800_100016991348 [0,0,0,0,0,2|1,0,0]=3 6602 B17R2.3933 Cc1cccc(c1CNc2cccnn2)F 27a_100000762012_100016991348 [0,0,0,0,0,2|2,0,0]=4 6603 B17R2.3933 Cc1cccc(c1CNc2ccncn2)C 27a_100000689800_100000703185 [0,0,0,0,0,2|1,0,0]=3 6604 B17R2.3933 Cc1cccc(c1CNc2ccncn2)F 27a_100000762012_100000703185 [0,0,0,0,0,2|2,0,0]=4 6605 B17R2.3933 Cc1cccc(c1CNc2cnccn2)C 27a_100000689800_100000211759 [0,0,0,0,0,2|0,0,1]=3 6606 B17R2.3933 Cc1cccc(c1CNc2cnccn2)F 27a_100000762012_100000211759 [0,0,0,0,0,2|1,0,1]=4 6607 B17R2.3933 Cc1cccc(c1CNc2ncccn2)C 27a_100000689800_100000211032 [0,0,0,0,0,2|0,0,1]=3 6608 B17R2.3933 Cc1cccc(c1CNc2ncccn2)F 27a_100000762012_100000211032 [0,0,0,0,0,2|1,0,1]=4 6609 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 34a_100000210340_100000758300 [0,0,0,0,0,2|2,0,0]=4 6610 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 7a_100000210340_100000758300 [0,0,0,0,0,2|2,0,0]=4 6611 B17R2.3933 Cc1cccc(c1COc2cccnc2)Br 34a_100000210849_100010146847 [0,0,0,0,0,2|2,0,0]=4 6612 B17R2.3933 Cc1cccc(c1COc2cccnc2)Br 7a_100000210849_100010146847 [0,0,0,0,0,2|2,0,0]=4 6613 B17R2.3933 Cc1cccc(c1COc2cccnc2)C 34a_100000210849_100000758300 [0,0,0,0,0,2|1,0,0]=3 6614 B17R2.3933 Cc1cccc(c1COc2cccnc2)C 7a_100000210849_100000758300 [0,0,0,0,0,2|1,0,0]=3 6615 B17R2.3933 Cc1cccc(c1COc2cccnc2)F 34a_100000210849_100009814554 [0,0,0,0,0,2|2,0,0]=4 6616 B17R2.3933 Cc1cccc(c1COc2cccnc2)F 7a_100000210849_100009814554 [0,0,0,0,0,2|2,0,0]=4 6617 B17R2.3933 Cc1cccc(c1COc2cccnc2)I 34a_100000210849_100010150146 [0,0,0,0,0,2|2,0,0]=4 6618 B17R2.3933 Cc1cccc(c1COc2cccnc2)I 7a_100000210849_100010150146 [0,0,0,0,0,2|2,0,0]=4 6619 B17R2.3933 Cc1cccc(c1COc2ccncc2)C 34a_100000212176_100000758300 [0,0,0,0,0,2|2,0,0]=4 6620 B17R2.3933 Cc1cccc(c1COc2ccnnc2)C 34a_100015204005_100000758300 [0,0,0,0,0,2|2,0,0]=4 6621 B17R2.3933 Cc1cccc(c1COc2cncnc2)C 7a_100000754086_100000758300 [0,0,0,0,0,2|2,0,0]=4 6622 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000719477_100000758300 [0,0,0,0,0,2|2,0,0]=4 6623 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000758300_100000041952 [0,0,0,0,0,2|2,0,0]=4 6624 B17R2.3933 Cc1cccc(c1CSc2ccccn2)Br 62a_100010146847_100011216584 [0,0,0,0,0,2|2,0,0]=4 6625 B17R2.3933 Cc1cccc(c1CSc2ccccn2)Br 62a_100011216584_100010146847 [0,0,0,0,0,2|2,0,0]=4 6626 B17R2.3933 Cc1cccc(c1CSc2ccccn2)C 62a_100000758300_100011216584 [0,0,0,0,0,2|1,0,0]=3 6627 B17R2.3933 Cc1cccc(c1CSc2ccccn2)C 62a_100011216584_100000758300 [0,0,0,0,0,2|1,0,0]=3 6628 B17R2.3933 Cc1cccc(c1CSc2ccccn2)F 62a_100009814554_100011216584 [0,0,0,0,0,2|2,0,0]=4 6629 B17R2.3933 Cc1cccc(c1CSc2ccccn2)F 62a_100011216584_100009814554 [0,0,0,0,0,2|2,0,0]=4 6630 B17R2.3933 Cc1cccc(c1CSc2ccccn2)I 62a_100010150146_100011216584 [0,0,0,0,0,2|2,0,0]=4 6631 B17R2.3933 Cc1cccc(c1CSc2ccccn2)I 62a_100011216584_100010150146 [0,0,0,0,0,2|2,0,0]=4 6632 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100010146847 [0,0,0,0,0,2|2,0,0]=4 6633 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100010146847_100000210063 [0,0,0,0,0,2|2,0,0]=4 6634 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000210063_100000758300 [0,0,0,0,0,2|1,0,0]=3 6635 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000758300_100000210063 [0,0,0,0,0,2|1,0,0]=3 6636 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100000210063_100009814554 [0,0,0,0,0,2|2,0,0]=4 6637 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100009814554_100000210063 [0,0,0,0,0,2|2,0,0]=4 6638 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010150146 [0,0,0,0,0,2|2,0,0]=4 6639 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100010150146_100000210063 [0,0,0,0,0,2|2,0,0]=4 6640 B17R2.3933 Cc1cccc(c1CSc2cccnn2)Br 62a_100010146847_100016991348 [0,0,0,0,0,2|2,0,0]=4 6641 B17R2.3933 Cc1cccc(c1CSc2cccnn2)Br 62a_100016991348_100010146847 [0,0,0,0,0,2|2,0,0]=4 6642 B17R2.3933 Cc1cccc(c1CSc2cccnn2)C 62a_100000758300_100016991348 [0,0,0,0,0,2|1,0,0]=3 6643 B17R2.3933 Cc1cccc(c1CSc2cccnn2)C 62a_100016991348_100000758300 [0,0,0,0,0,2|1,0,0]=3 6644 B17R2.3933 Cc1cccc(c1CSc2cccnn2)F 62a_100009814554_100016991348 [0,0,0,0,0,2|2,0,0]=4 6645 B17R2.3933 Cc1cccc(c1CSc2cccnn2)F 62a_100016991348_100009814554 [0,0,0,0,0,2|2,0,0]=4 6646 B17R2.3933 Cc1cccc(c1CSc2cccnn2)I 62a_100010150146_100016991348 [0,0,0,0,0,2|2,0,0]=4 6647 B17R2.3933 Cc1cccc(c1CSc2cccnn2)I 62a_100016991348_100010150146 [0,0,0,0,0,2|2,0,0]=4 6648 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000728582_100000758300 [0,0,0,0,0,2|2,0,0]=4 6649 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000758300_100000728582 [0,0,0,0,0,2|2,0,0]=4 6650 B17R2.3933 Cc1cccc(c1CSc2ccncn2)Br 62a_100000703185_100010146847 [0,0,0,0,0,2|2,0,0]=4 6651 B17R2.3933 Cc1cccc(c1CSc2ccncn2)Br 62a_100010146847_100000703185 [0,0,0,0,0,2|2,0,0]=4 6652 B17R2.3933 Cc1cccc(c1CSc2ccncn2)C 62a_100000703185_100000758300 [0,0,0,0,0,2|1,0,0]=3 6653 B17R2.3933 Cc1cccc(c1CSc2ccncn2)C 62a_100000758300_100000703185 [0,0,0,0,0,2|1,0,0]=3 6654 B17R2.3933 Cc1cccc(c1CSc2ccncn2)F 62a_100000703185_100009814554 [0,0,0,0,0,2|2,0,0]=4 6655 B17R2.3933 Cc1cccc(c1CSc2ccncn2)F 62a_100009814554_100000703185 [0,0,0,0,0,2|2,0,0]=4 6656 B17R2.3933 Cc1cccc(c1CSc2ccncn2)I 62a_100000703185_100010150146 [0,0,0,0,0,2|2,0,0]=4 6657 B17R2.3933 Cc1cccc(c1CSc2ccncn2)I 62a_100010150146_100000703185 [0,0,0,0,0,2|2,0,0]=4 6658 B17R2.3933 Cc1cccc(c1CSc2ccnnc2)C 62a_100000732662_100000758300 [0,0,0,0,0,2|2,0,0]=4 6659 B17R2.3933 Cc1cccc(c1CSc2ccnnc2)C 62a_100000758300_100000732662 [0,0,0,0,0,2|2,0,0]=4 6660 B17R2.3933 Cc1cccc(c1CSc2cnccn2)Br 62a_100000211759_100010146847 [0,0,0,0,0,2|1,0,1]=4 6661 B17R2.3933 Cc1cccc(c1CSc2cnccn2)Br 62a_100010146847_100000211759 [0,0,0,0,0,2|1,0,1]=4 6662 B17R2.3933 Cc1cccc(c1CSc2cnccn2)C 62a_100000211759_100000758300 [0,0,0,0,0,2|0,0,1]=3 6663 B17R2.3933 Cc1cccc(c1CSc2cnccn2)C 62a_100000758300_100000211759 [0,0,0,0,0,2|0,0,1]=3 6664 B17R2.3933 Cc1cccc(c1CSc2cnccn2)F 62a_100000211759_100009814554 [0,0,0,0,0,2|1,0,1]=4 6665 B17R2.3933 Cc1cccc(c1CSc2cnccn2)F 62a_100009814554_100000211759 [0,0,0,0,0,2|1,0,1]=4 6666 B17R2.3933 Cc1cccc(c1CSc2cnccn2)I 62a_100000211759_100010150146 [0,0,0,0,0,2|1,0,1]=4 6667 B17R2.3933 Cc1cccc(c1CSc2cnccn2)I 62a_100010150146_100000211759 [0,0,0,0,0,2|1,0,1]=4 6668 B17R2.3933 Cc1cccc(c1CSc2cncnc2)C 62a_100000758300_100011206942 [0,0,0,0,0,2|2,0,0]=4 6669 B17R2.3933 Cc1cccc(c1CSc2cncnc2)C 62a_100011206942_100000758300 [0,0,0,0,0,2|2,0,0]=4 6670 B17R2.3933 Cc1cccc(c1CSc2ncccn2)Br 62a_100000211032_100010146847 [0,0,0,0,0,2|1,0,1]=4 6671 B17R2.3933 Cc1cccc(c1CSc2ncccn2)Br 62a_100010146847_100000211032 [0,0,0,0,0,2|1,0,1]=4 6672 B17R2.3933 Cc1cccc(c1CSc2ncccn2)C 62a_100000211032_100000758300 [0,0,0,0,0,2|0,0,1]=3 6673 B17R2.3933 Cc1cccc(c1CSc2ncccn2)C 62a_100000758300_100000211032 [0,0,0,0,0,2|0,0,1]=3 6674 B17R2.3933 Cc1cccc(c1CSc2ncccn2)F 62a_100000211032_100009814554 [0,0,0,0,0,2|1,0,1]=4 6675 B17R2.3933 Cc1cccc(c1CSc2ncccn2)F 62a_100009814554_100000211032 [0,0,0,0,0,2|1,0,1]=4 6676 B17R2.3933 Cc1cccc(c1CSc2ncccn2)I 62a_100000211032_100010150146 [0,0,0,0,0,2|1,0,1]=4 6677 B17R2.3933 Cc1cccc(c1CSc2ncccn2)I 62a_100010150146_100000211032 [0,0,0,0,0,2|1,0,1]=4 6678 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 207a_100000185769_100015611070 [0,0,0,0,0,2|2,0,0]=4 6679 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 34a_100000185769_100015291786 [0,0,0,0,0,2|2,0,0]=4 6680 B17R2.3933 Cc1cccc(c1NCc2ccccn2)Br 34a_100011834072_100000721315 [0,0,0,0,0,2|2,0,0]=4 6681 B17R2.3933 Cc1cccc(c1NCc2ccccn2)C 207a_100000185769_100000209966 [0,0,0,0,0,2|1,0,0]=3 6682 B17R2.3933 Cc1cccc(c1NCc2ccccn2)C 34a_100000185769_100000721315 [0,0,0,0,0,2|1,0,0]=3 6683 B17R2.3933 Cc1cccc(c1NCc2ccccn2)Cl 34a_100000756524_100000721315 [0,0,0,0,0,2|2,0,0]=4 6684 B17R2.3933 Cc1cccc(c1NCc2ccccn2)F 207a_100000766463_100000209966 [0,0,0,0,0,2|2,0,0]=4 6685 B17R2.3933 Cc1cccc(c1NCc2ccccn2)F 34a_100000766463_100000721315 [0,0,0,0,0,2|2,0,0]=4 6686 B17R2.3933 Cc1cccc(c1NCc2ccccn2)O 34a_100000743429_100000721315 [0,0,0,0,0,2|2,0,0]=4 6687 B17R2.3933 Cc1cccc(c1NCc2cccnc2)Br 34a_100011834072_100000733263 [0,0,0,0,0,2|2,0,0]=4 6688 B17R2.3933 Cc1cccc(c1NCc2cccnc2)C 207a_100000185769_100000209961 [0,0,0,0,0,2|1,0,0]=3 6689 B17R2.3933 Cc1cccc(c1NCc2cccnc2)C 34a_100000185769_100000733263 [0,0,0,0,0,2|1,0,0]=3 6690 B17R2.3933 Cc1cccc(c1NCc2cccnc2)Cl 34a_100000756524_100000733263 [0,0,0,0,0,2|2,0,0]=4 6691 B17R2.3933 Cc1cccc(c1NCc2cccnc2)F 207a_100000766463_100000209961 [0,0,0,0,0,2|2,0,0]=4 6692 B17R2.3933 Cc1cccc(c1NCc2cccnc2)F 34a_100000766463_100000733263 [0,0,0,0,0,2|2,0,0]=4 6693 B17R2.3933 Cc1cccc(c1NCc2cccnc2)O 34a_100000743429_100000733263 [0,0,0,0,0,2|2,0,0]=4 6694 B17R2.3933 Cc1cccc(c1NCc2cccnn2)Br 34a_100011834072_100016990269 [0,0,0,0,0,2|2,0,0]=4 6695 B17R2.3933 Cc1cccc(c1NCc2cccnn2)C 34a_100000185769_100016990269 [0,0,0,0,0,2|1,0,0]=3 6696 B17R2.3933 Cc1cccc(c1NCc2cccnn2)Cl 34a_100000756524_100016990269 [0,0,0,0,0,2|2,0,0]=4 6697 B17R2.3933 Cc1cccc(c1NCc2cccnn2)F 34a_100000766463_100016990269 [0,0,0,0,0,2|2,0,0]=4 6698 B17R2.3933 Cc1cccc(c1NCc2cccnn2)O 34a_100000743429_100016990269 [0,0,0,0,0,2|2,0,0]=4 6699 B17R2.3933 Cc1cccc(c1NCc2ccncc2)C 207a_100000185769_100000186114 [0,0,0,0,0,2|2,0,0]=4 6700 B17R2.3933 Cc1cccc(c1NCc2cnccn2)Br 34a_100011834072_100016995436 [0,0,0,0,0,2|1,0,1]=4 6701 B17R2.3933 Cc1cccc(c1NCc2cnccn2)C 34a_100000185769_100016995436 [0,0,0,0,0,2|0,0,1]=3 6702 B17R2.3933 Cc1cccc(c1NCc2cnccn2)Cl 34a_100000756524_100016995436 [0,0,0,0,0,2|1,0,1]=4 6703 B17R2.3933 Cc1cccc(c1NCc2cnccn2)F 34a_100000766463_100016995436 [0,0,0,0,0,2|1,0,1]=4 6704 B17R2.3933 Cc1cccc(c1NCc2cnccn2)O 34a_100000743429_100016995436 [0,0,0,0,0,2|1,0,1]=4 6705 B17R2.3933 Cc1cccc(c1NCc2cncnc2)C 34a_100000185769_100015196519 [0,0,0,0,0,2|2,0,0]=4 6706 B17R2.3933 Cc1cccc(c1NCc2ncccn2)Br 34a_100011834072_100000703007 [0,0,0,0,0,2|1,0,1]=4 6707 B17R2.3933 Cc1cccc(c1NCc2ncccn2)C 34a_100000185769_100000703007 [0,0,0,0,0,2|0,0,1]=3 6708 B17R2.3933 Cc1cccc(c1NCc2ncccn2)Cl 34a_100000756524_100000703007 [0,0,0,0,0,2|1,0,1]=4 6709 B17R2.3933 Cc1cccc(c1NCc2ncccn2)F 34a_100000766463_100000703007 [0,0,0,0,0,2|1,0,1]=4 6710 B17R2.3933 Cc1cccc(c1NCc2ncccn2)O 34a_100000743429_100000703007 [0,0,0,0,0,2|1,0,1]=4 6711 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 34a_100000210341_100015291786 [0,0,0,0,0,2|2,0,0]=4 6712 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 7a_100000210341_100000211182 [0,0,0,0,0,2|2,0,0]=4 6713 B17R2.3933 Cc1cccc(c1OCc2ccccn2)Br 34a_100009817157_100000721315 [0,0,0,0,0,2|2,0,0]=4 6714 B17R2.3933 Cc1cccc(c1OCc2ccccn2)Br 7a_100009817157_100000721315 [0,0,0,0,0,2|2,0,0]=4 6715 B17R2.3933 Cc1cccc(c1OCc2ccccn2)C 34a_100000210341_100000721315 [0,0,0,0,0,2|1,0,0]=3 6716 B17R2.3933 Cc1cccc(c1OCc2ccccn2)C 7a_100000210341_100000721315 [0,0,0,0,0,2|1,0,0]=3 6717 B17R2.3933 Cc1cccc(c1OCc2ccccn2)Cl 34a_100000033731_100000721315 [0,0,0,0,0,2|2,0,0]=4 6718 B17R2.3933 Cc1cccc(c1OCc2ccccn2)Cl 7a_100000033731_100000721315 [0,0,0,0,0,2|2,0,0]=4 6719 B17R2.3933 Cc1cccc(c1OCc2ccccn2)F 34a_100011659162_100000721315 [0,0,0,0,0,2|2,0,0]=4 6720 B17R2.3933 Cc1cccc(c1OCc2ccccn2)F 7a_100011659162_100000721315 [0,0,0,0,0,2|2,0,0]=4 6721 B17R2.3933 Cc1cccc(c1OCc2ccccn2)N 34a_100000756359_100000721315 [0,0,0,0,0,2|2,0,0]=4 6722 B17R2.3933 Cc1cccc(c1OCc2ccccn2)N 7a_100000756359_100000721315 [0,0,0,0,0,2|2,0,0]=4 6723 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Br 34a_100009817157_100000733263 [0,0,0,0,0,2|2,0,0]=4 6724 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Br 7a_100009817157_100000741622 [0,0,0,0,0,2|2,0,0]=4 6725 B17R2.3933 Cc1cccc(c1OCc2cccnc2)C 34a_100000210341_100000733263 [0,0,0,0,0,2|1,0,0]=3 6726 B17R2.3933 Cc1cccc(c1OCc2cccnc2)C 7a_100000210341_100000741622 [0,0,0,0,0,2|1,0,0]=3 6727 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Cl 34a_100000033731_100000733263 [0,0,0,0,0,2|2,0,0]=4 6728 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Cl 7a_100000033731_100000741622 [0,0,0,0,0,2|2,0,0]=4 6729 B17R2.3933 Cc1cccc(c1OCc2cccnc2)F 34a_100011659162_100000733263 [0,0,0,0,0,2|2,0,0]=4 6730 B17R2.3933 Cc1cccc(c1OCc2cccnc2)F 7a_100011659162_100000741622 [0,0,0,0,0,2|2,0,0]=4 6731 B17R2.3933 Cc1cccc(c1OCc2cccnc2)N 34a_100000756359_100000733263 [0,0,0,0,0,2|2,0,0]=4 6732 B17R2.3933 Cc1cccc(c1OCc2cccnc2)N 7a_100000756359_100000741622 [0,0,0,0,0,2|2,0,0]=4 6733 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Br 34a_100009817157_100016990269 [0,0,0,0,0,2|2,0,0]=4 6734 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Br 7a_100009817157_100016990269 [0,0,0,0,0,2|2,0,0]=4 6735 B17R2.3933 Cc1cccc(c1OCc2cccnn2)C 34a_100000210341_100016990269 [0,0,0,0,0,2|1,0,0]=3 6736 B17R2.3933 Cc1cccc(c1OCc2cccnn2)C 7a_100000210341_100016990269 [0,0,0,0,0,2|1,0,0]=3 6737 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Cl 34a_100000033731_100016990269 [0,0,0,0,0,2|2,0,0]=4 6738 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Cl 7a_100000033731_100016990269 [0,0,0,0,0,2|2,0,0]=4 6739 B17R2.3933 Cc1cccc(c1OCc2cccnn2)F 34a_100011659162_100016990269 [0,0,0,0,0,2|2,0,0]=4 6740 B17R2.3933 Cc1cccc(c1OCc2cccnn2)F 7a_100011659162_100016990269 [0,0,0,0,0,2|2,0,0]=4 6741 B17R2.3933 Cc1cccc(c1OCc2cccnn2)N 34a_100000756359_100016990269 [0,0,0,0,0,2|2,0,0]=4 6742 B17R2.3933 Cc1cccc(c1OCc2cccnn2)N 7a_100000756359_100016990269 [0,0,0,0,0,2|2,0,0]=4 6743 B17R2.3933 Cc1cccc(c1OCc2ccncc2)C 7a_100000210341_100015193705 [0,0,0,0,0,2|2,0,0]=4 6744 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Br 34a_100009817157_100016995436 [0,0,0,0,0,2|1,0,1]=4 6745 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Br 7a_100009817157_100016995436 [0,0,0,0,0,2|1,0,1]=4 6746 B17R2.3933 Cc1cccc(c1OCc2cnccn2)C 34a_100000210341_100016995436 [0,0,0,0,0,2|0,0,1]=3 6747 B17R2.3933 Cc1cccc(c1OCc2cnccn2)C 7a_100000210341_100016995436 [0,0,0,0,0,2|0,0,1]=3 6748 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Cl 34a_100000033731_100016995436 [0,0,0,0,0,2|1,0,1]=4 6749 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Cl 7a_100000033731_100016995436 [0,0,0,0,0,2|1,0,1]=4 6750 B17R2.3933 Cc1cccc(c1OCc2cnccn2)F 34a_100011659162_100016995436 [0,0,0,0,0,2|1,0,1]=4 6751 B17R2.3933 Cc1cccc(c1OCc2cnccn2)F 7a_100011659162_100016995436 [0,0,0,0,0,2|1,0,1]=4 6752 B17R2.3933 Cc1cccc(c1OCc2cnccn2)N 34a_100000756359_100016995436 [0,0,0,0,0,2|1,0,1]=4 6753 B17R2.3933 Cc1cccc(c1OCc2cnccn2)N 7a_100000756359_100016995436 [0,0,0,0,0,2|1,0,1]=4 6754 B17R2.3933 Cc1cccc(c1OCc2cncnc2)C 34a_100000210341_100015196519 [0,0,0,0,0,2|2,0,0]=4 6755 B17R2.3933 Cc1cccc(c1OCc2cncnc2)C 7a_100000210341_100015196519 [0,0,0,0,0,2|2,0,0]=4 6756 B17R2.3933 Cc1cccc(c1OCc2ncccn2)Br 34a_100009817157_100000703007 [0,0,0,0,0,2|1,0,1]=4 6757 B17R2.3933 Cc1cccc(c1OCc2ncccn2)Br 7a_100009817157_100000703007 [0,0,0,0,0,2|1,0,1]=4 6758 B17R2.3933 Cc1cccc(c1OCc2ncccn2)C 34a_100000210341_100000703007 [0,0,0,0,0,2|0,0,1]=3 6759 B17R2.3933 Cc1cccc(c1OCc2ncccn2)C 7a_100000210341_100000703007 [0,0,0,0,0,2|0,0,1]=3 6760 B17R2.3933 Cc1cccc(c1OCc2ncccn2)Cl 34a_100000033731_100000703007 [0,0,0,0,0,2|1,0,1]=4 6761 B17R2.3933 Cc1cccc(c1OCc2ncccn2)Cl 7a_100000033731_100000703007 [0,0,0,0,0,2|1,0,1]=4 6762 B17R2.3933 Cc1cccc(c1OCc2ncccn2)F 34a_100011659162_100000703007 [0,0,0,0,0,2|1,0,1]=4 6763 B17R2.3933 Cc1cccc(c1OCc2ncccn2)F 7a_100011659162_100000703007 [0,0,0,0,0,2|1,0,1]=4 6764 B17R2.3933 Cc1cccc(c1OCc2ncccn2)N 34a_100000756359_100000703007 [0,0,0,0,0,2|1,0,1]=4 6765 B17R2.3933 Cc1cccc(c1OCc2ncccn2)N 7a_100000756359_100000703007 [0,0,0,0,0,2|1,0,1]=4 6766 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000033847_100015291786 [0,0,0,0,0,2|2,0,0]=4 6767 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000211182_100000033847 [0,0,0,0,0,2|2,0,0]=4 6768 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100010141302 [0,0,0,0,0,2|2,0,0]=4 6769 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Br 62a_100010141302_100000721315 [0,0,0,0,0,2|2,0,0]=4 6770 B17R2.3933 Cc1cccc(c1SCc2ccccn2)C 62a_100000033847_100000721315 [0,0,0,0,0,2|1,0,0]=3 6771 B17R2.3933 Cc1cccc(c1SCc2ccccn2)C 62a_100000721315_100000033847 [0,0,0,0,0,2|1,0,0]=3 6772 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Cl 62a_100000043165_100000721315 [0,0,0,0,0,2|2,0,0]=4 6773 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000043165 [0,0,0,0,0,2|2,0,0]=4 6774 B17R2.3933 Cc1cccc(c1SCc2ccccn2)F 62a_100000721315_100011218421 [0,0,0,0,0,2|2,0,0]=4 6775 B17R2.3933 Cc1cccc(c1SCc2ccccn2)F 62a_100011218421_100000721315 [0,0,0,0,0,2|2,0,0]=4 6776 B17R2.3933 Cc1cccc(c1SCc2ccccn2)N 62a_100000684715_100000721315 [0,0,0,0,0,2|2,0,0]=4 6777 B17R2.3933 Cc1cccc(c1SCc2ccccn2)N 62a_100000721315_100000684715 [0,0,0,0,0,2|2,0,0]=4 6778 B17R2.3933 Cc1cccc(c1SCc2ccccn2)O 62a_100000686692_100000721315 [0,0,0,0,0,2|2,0,0]=4 6779 B17R2.3933 Cc1cccc(c1SCc2ccccn2)O 62a_100000721315_100000686692 [0,0,0,0,0,2|2,0,0]=4 6780 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010141302 [0,0,0,0,0,2|2,0,0]=4 6781 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100010141302_100000741622 [0,0,0,0,0,2|2,0,0]=4 6782 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000033847_100000741622 [0,0,0,0,0,2|1,0,0]=3 6783 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000741622_100000033847 [0,0,0,0,0,2|1,0,0]=3 6784 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000043165_100000741622 [0,0,0,0,0,2|2,0,0]=4 6785 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000043165 [0,0,0,0,0,2|2,0,0]=4 6786 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100000741622_100011218421 [0,0,0,0,0,2|2,0,0]=4 6787 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100011218421_100000741622 [0,0,0,0,0,2|2,0,0]=4 6788 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000684715_100000741622 [0,0,0,0,0,2|2,0,0]=4 6789 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000741622_100000684715 [0,0,0,0,0,2|2,0,0]=4 6790 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000686692_100000741622 [0,0,0,0,0,2|2,0,0]=4 6791 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000741622_100000686692 [0,0,0,0,0,2|2,0,0]=4 6792 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Br 62a_100010141302_100016990269 [0,0,0,0,0,2|2,0,0]=4 6793 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100010141302 [0,0,0,0,0,2|2,0,0]=4 6794 B17R2.3933 Cc1cccc(c1SCc2cccnn2)C 62a_100000033847_100016990269 [0,0,0,0,0,2|1,0,0]=3 6795 B17R2.3933 Cc1cccc(c1SCc2cccnn2)C 62a_100016990269_100000033847 [0,0,0,0,0,2|1,0,0]=3 6796 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Cl 62a_100000043165_100016990269 [0,0,0,0,0,2|2,0,0]=4 6797 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000043165 [0,0,0,0,0,2|2,0,0]=4 6798 B17R2.3933 Cc1cccc(c1SCc2cccnn2)F 62a_100011218421_100016990269 [0,0,0,0,0,2|2,0,0]=4 6799 B17R2.3933 Cc1cccc(c1SCc2cccnn2)F 62a_100016990269_100011218421 [0,0,0,0,0,2|2,0,0]=4 6800 B17R2.3933 Cc1cccc(c1SCc2cccnn2)N 62a_100000684715_100016990269 [0,0,0,0,0,2|2,0,0]=4 6801 B17R2.3933 Cc1cccc(c1SCc2cccnn2)N 62a_100016990269_100000684715 [0,0,0,0,0,2|2,0,0]=4 6802 B17R2.3933 Cc1cccc(c1SCc2cccnn2)O 62a_100000686692_100016990269 [0,0,0,0,0,2|2,0,0]=4 6803 B17R2.3933 Cc1cccc(c1SCc2cccnn2)O 62a_100016990269_100000686692 [0,0,0,0,0,2|2,0,0]=4 6804 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100000033847_100015193705 [0,0,0,0,0,2|2,0,0]=4 6805 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100015193705_100000033847 [0,0,0,0,0,2|2,0,0]=4 6806 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Br 62a_100010141302_100016995436 [0,0,0,0,0,2|1,0,1]=4 6807 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100010141302 [0,0,0,0,0,2|1,0,1]=4 6808 B17R2.3933 Cc1cccc(c1SCc2cnccn2)C 62a_100000033847_100016995436 [0,0,0,0,0,2|0,0,1]=3 6809 B17R2.3933 Cc1cccc(c1SCc2cnccn2)C 62a_100016995436_100000033847 [0,0,0,0,0,2|0,0,1]=3 6810 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Cl 62a_100000043165_100016995436 [0,0,0,0,0,2|1,0,1]=4 6811 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000043165 [0,0,0,0,0,2|1,0,1]=4 6812 B17R2.3933 Cc1cccc(c1SCc2cnccn2)F 62a_100011218421_100016995436 [0,0,0,0,0,2|1,0,1]=4 6813 B17R2.3933 Cc1cccc(c1SCc2cnccn2)F 62a_100016995436_100011218421 [0,0,0,0,0,2|1,0,1]=4 6814 B17R2.3933 Cc1cccc(c1SCc2cnccn2)N 62a_100000684715_100016995436 [0,0,0,0,0,2|1,0,1]=4 6815 B17R2.3933 Cc1cccc(c1SCc2cnccn2)N 62a_100016995436_100000684715 [0,0,0,0,0,2|1,0,1]=4 6816 B17R2.3933 Cc1cccc(c1SCc2cnccn2)O 62a_100000686692_100016995436 [0,0,0,0,0,2|1,0,1]=4 6817 B17R2.3933 Cc1cccc(c1SCc2cnccn2)O 62a_100016995436_100000686692 [0,0,0,0,0,2|1,0,1]=4 6818 B17R2.3933 Cc1cccc(c1SCc2cncnc2)C 62a_100000033847_100015196519 [0,0,0,0,0,2|2,0,0]=4 6819 B17R2.3933 Cc1cccc(c1SCc2cncnc2)C 62a_100015196519_100000033847 [0,0,0,0,0,2|2,0,0]=4 6820 B17R2.3933 Cc1cccc(c1SCc2ncccn2)Br 62a_100000703007_100010141302 [0,0,0,0,0,2|1,0,1]=4 6821 B17R2.3933 Cc1cccc(c1SCc2ncccn2)Br 62a_100010141302_100000703007 [0,0,0,0,0,2|1,0,1]=4 6822 B17R2.3933 Cc1cccc(c1SCc2ncccn2)C 62a_100000033847_100000703007 [0,0,0,0,0,2|0,0,1]=3 6823 B17R2.3933 Cc1cccc(c1SCc2ncccn2)C 62a_100000703007_100000033847 [0,0,0,0,0,2|0,0,1]=3 6824 B17R2.3933 Cc1cccc(c1SCc2ncccn2)Cl 62a_100000043165_100000703007 [0,0,0,0,0,2|1,0,1]=4 6825 B17R2.3933 Cc1cccc(c1SCc2ncccn2)Cl 62a_100000703007_100000043165 [0,0,0,0,0,2|1,0,1]=4 6826 B17R2.3933 Cc1cccc(c1SCc2ncccn2)F 62a_100000703007_100011218421 [0,0,0,0,0,2|1,0,1]=4 6827 B17R2.3933 Cc1cccc(c1SCc2ncccn2)F 62a_100011218421_100000703007 [0,0,0,0,0,2|1,0,1]=4 6828 B17R2.3933 Cc1cccc(c1SCc2ncccn2)N 62a_100000684715_100000703007 [0,0,0,0,0,2|1,0,1]=4 6829 B17R2.3933 Cc1cccc(c1SCc2ncccn2)N 62a_100000703007_100000684715 [0,0,0,0,0,2|1,0,1]=4 6830 B17R2.3933 Cc1cccc(c1SCc2ncccn2)O 62a_100000686692_100000703007 [0,0,0,0,0,2|1,0,1]=4 6831 B17R2.3933 Cc1cccc(c1SCc2ncccn2)O 62a_100000703007_100000686692 [0,0,0,0,0,2|1,0,1]=4 6832 B17R2.3933 Cc1ccnc(c1OCc2ccccn2)C 34a_100011934651_100000721315 [0,0,0,0,0,2|2,0,0]=4 6833 B17R2.3933 Cc1ccnc(c1OCc2ccccn2)C 7a_100011934651_100000721315 [0,0,0,0,0,2|2,0,0]=4 6834 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)C 34a_100011934651_100000733263 [0,0,0,0,0,2|2,0,0]=4 6835 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)C 7a_100011934651_100000741622 [0,0,0,0,0,2|2,0,0]=4 6836 B17R2.3933 Cc1ccnc(c1OCc2cccnn2)C 34a_100011934651_100016990269 [0,0,0,0,0,2|2,0,0]=4 6837 B17R2.3933 Cc1ccnc(c1OCc2cccnn2)C 7a_100011934651_100016990269 [0,0,0,0,0,2|2,0,0]=4 6838 B17R2.3933 Cc1ccnc(c1OCc2cnccn2)C 34a_100011934651_100016995436 [0,0,0,0,0,2|1,0,1]=4 6839 B17R2.3933 Cc1ccnc(c1OCc2cnccn2)C 7a_100011934651_100016995436 [0,0,0,0,0,2|1,0,1]=4 6840 B17R2.3933 Cc1ccnc(c1OCc2ncccn2)C 34a_100011934651_100000703007 [0,0,0,0,0,2|1,0,1]=4 6841 B17R2.3933 Cc1ccnc(c1OCc2ncccn2)C 7a_100011934651_100000703007 [0,0,0,0,0,2|1,0,1]=4 6842 B17R2.3933 Cc1ccnc(c1SCc2ccccn2)C 62a_100000721315_100012000501 [0,0,0,0,0,2|2,0,0]=4 6843 B17R2.3933 Cc1ccnc(c1SCc2ccccn2)C 62a_100012000501_100000721315 [0,0,0,0,0,2|2,0,0]=4 6844 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)C 62a_100000741622_100012000501 [0,0,0,0,0,2|2,0,0]=4 6845 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)C 62a_100012000501_100000741622 [0,0,0,0,0,2|2,0,0]=4 6846 B17R2.3933 Cc1ccnc(c1SCc2cccnn2)C 62a_100012000501_100016990269 [0,0,0,0,0,2|2,0,0]=4 6847 B17R2.3933 Cc1ccnc(c1SCc2cccnn2)C 62a_100016990269_100012000501 [0,0,0,0,0,2|2,0,0]=4 6848 B17R2.3933 Cc1ccnc(c1SCc2cnccn2)C 62a_100012000501_100016995436 [0,0,0,0,0,2|1,0,1]=4 6849 B17R2.3933 Cc1ccnc(c1SCc2cnccn2)C 62a_100016995436_100012000501 [0,0,0,0,0,2|1,0,1]=4 6850 B17R2.3933 Cc1ccnc(c1SCc2ncccn2)C 62a_100000703007_100012000501 [0,0,0,0,0,2|1,0,1]=4 6851 B17R2.3933 Cc1ccnc(c1SCc2ncccn2)C 62a_100012000501_100000703007 [0,0,0,0,0,2|1,0,1]=4 6852 B17R2.3933 Cc1cncc(c1SCc2ccccn2)C 62a_100000721315_100009817138 [0,0,0,0,0,2|2,0,0]=4 6853 B17R2.3933 Cc1cncc(c1SCc2ccccn2)C 62a_100009817138_100000721315 [0,0,0,0,0,2|2,0,0]=4 6854 B17R2.3933 Cc1cncc(c1SCc2cccnc2)C 62a_100000741622_100009817138 [0,0,0,0,0,2|2,0,0]=4 6855 B17R2.3933 Cc1cncc(c1SCc2cccnc2)C 62a_100009817138_100000741622 [0,0,0,0,0,2|2,0,0]=4 6856 B17R2.3933 Cc1cncc(c1SCc2cccnn2)C 62a_100009817138_100016990269 [0,0,0,0,0,2|2,0,0]=4 6857 B17R2.3933 Cc1cncc(c1SCc2cccnn2)C 62a_100016990269_100009817138 [0,0,0,0,0,2|2,0,0]=4 6858 B17R2.3933 Cc1cncc(c1SCc2cnccn2)C 62a_100009817138_100016995436 [0,0,0,0,0,2|1,0,1]=4 6859 B17R2.3933 Cc1cncc(c1SCc2cnccn2)C 62a_100016995436_100009817138 [0,0,0,0,0,2|1,0,1]=4 6860 B17R2.3933 Cc1cncc(c1SCc2ncccn2)C 62a_100000703007_100009817138 [0,0,0,0,0,2|1,0,1]=4 6861 B17R2.3933 Cc1cncc(c1SCc2ncccn2)C 62a_100009817138_100000703007 [0,0,0,0,0,2|1,0,1]=4 6862 B17R2.41802 Brc1cccc(c1CNCc2ncc[nH]2)Br 207a_100000754540_100010233043 [0,0,0,0,0,2|2,0,0]=4 6863 B17R2.41802 Brc1cccc(c1CNCc2ncc[nH]2)Br 270004a_100000754540_100010233043 [0,0,0,0,0,2|2,0,0]=4 6864 B17R2.41802 Brc1cccc(c1COCc2ncc[nH]2)Br 34a_100010172814_100016991755 [0,0,0,0,0,2|2,0,0]=4 6865 B17R2.41802 Brc1cccc(c1COCc2ncc[nH]2)Br 7a_100010172814_100000753453 [0,0,0,0,0,2|2,0,0]=4 6866 B17R2.41802 Brc1cccc(c1CSCc2ncc[nH]2)I 62a_100010146611_100016991755 [0,0,0,0,0,2|2,0,0]=4 6867 B17R2.41802 Brc1cccc(c1CSCc2ncc[nH]2)I 62a_100016991755_100010146611 [0,0,0,0,0,2|2,0,0]=4 6868 B17R2.41802 Cc1cccc(c1C=NNc2nccs2)C 4a_100011198208_100000758299 [0,0,0,0,0,2|1,0,1]=4 6869 B17R2.41802 Cc1cccc(c1CNCC2=NCCN2)C 34a_100000689800_100000737910 [0,0,0,0,0,2|0,0,2]=4 6870 B17R2.41802 Cc1cccc(c1CNCc2c[nH]cn2)C 207a_100000758547_100000758299 [0,0,0,0,0,2|2,0,0]=4 6871 B17R2.41802 Cc1cccc(c1CNCc2c[nH]cn2)C 34a_100000689800_100000707719 [0,0,0,0,0,2|2,0,0]=4 6872 B17R2.41802 Cc1cccc(c1CNCc2cc[nH]n2)C 207a_100000689800_100000738523 [0,0,0,0,0,2|2,0,0]=4 6873 B17R2.41802 Cc1cccc(c1CNCc2cc[nH]n2)C 207a_100000739516_100000758299 [0,0,0,0,0,2|2,0,0]=4 6874 B17R2.41802 Cc1cccc(c1CNCc2cc[nH]n2)C 270004a_100000689800_100000738523 [0,0,0,0,0,2|2,0,0]=4 6875 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 207a_100000185738_100000758299 [0,0,0,0,0,2|2,0,0]=4 6876 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 207a_100000689800_100000186105 [0,0,0,0,0,2|2,0,0]=4 6877 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 2230a_100000185738_100000758300 [0,0,0,0,0,2|2,0,0]=4 6878 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 270004a_100000185738_100000758299 [0,0,0,0,0,2|2,0,0]=4 6879 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 270004a_100000689800_100000186105 [0,0,0,0,0,2|2,0,0]=4 6880 B17R2.41802 Cc1cccc(c1CNCc2ccco2)C 34a_100000185738_100000758300 [0,0,0,0,0,2|2,0,0]=4 6881 B17R2.41802 Cc1cccc(c1CNCc2cccs2)C 207a_100000211653_100000758299 [0,0,0,0,0,2|2,0,0]=4 6882 B17R2.41802 Cc1cccc(c1CNCc2cccs2)C 207a_100000689800_100000209959 [0,0,0,0,0,2|2,0,0]=4 6883 B17R2.41802 Cc1cccc(c1CNCc2cccs2)C 2230a_100000211653_100000758300 [0,0,0,0,0,2|2,0,0]=4 6884 B17R2.41802 Cc1cccc(c1CNCc2cccs2)C 270004a_100000211653_100000758299 [0,0,0,0,0,2|2,0,0]=4 6885 B17R2.41802 Cc1cccc(c1CNCc2cccs2)C 270004a_100000689800_100000209959 [0,0,0,0,0,2|2,0,0]=4 6886 B17R2.41802 Cc1cccc(c1CNCc2ccn[nH]2)C 34a_100000689800_100000728653 [0,0,0,0,0,2|2,0,0]=4 6887 B17R2.41802 Cc1cccc(c1CNCc2ccon2)C 207a_100000688301_100000758299 [0,0,0,0,0,2|2,0,0]=4 6888 B17R2.41802 Cc1cccc(c1CNCc2ccon2)C 270004a_100000688301_100000758299 [0,0,0,0,0,2|2,0,0]=4 6889 B17R2.41802 Cc1cccc(c1CNCc2ccon2)C 34a_100000689800_100000234950 [0,0,0,0,0,2|2,0,0]=4 6890 B17R2.41802 Cc1cccc(c1CNCc2cnc[nH]2)C 207a_100000689800_100000742939 [0,0,0,0,0,2|2,0,0]=4 6891 B17R2.41802 Cc1cccc(c1CNCc2cocn2)C 207a_100015188801_100000758299 [0,0,0,0,0,2|2,0,0]=4 6892 B17R2.41802 Cc1cccc(c1CNCc2cocn2)C 270004a_100000689800_100000050382 [0,0,0,0,0,2|2,0,0]=4 6893 B17R2.41802 Cc1cccc(c1CNCc2cocn2)C 270004a_100015188801_100000758299 [0,0,0,0,0,2|2,0,0]=4 6894 B17R2.41802 Cc1cccc(c1CNCc2cscn2)C 207a_100000689800_100000743575 [0,0,0,0,0,2|2,0,0]=4 6895 B17R2.41802 Cc1cccc(c1CNCc2cscn2)C 207a_100015185402_100000758299 [0,0,0,0,0,2|2,0,0]=4 6896 B17R2.41802 Cc1cccc(c1CNCc2cscn2)C 2230a_100015185402_100000758300 [0,0,0,0,0,2|2,0,0]=4 6897 B17R2.41802 Cc1cccc(c1CNCc2cscn2)C 270004a_100000689800_100000743575 [0,0,0,0,0,2|2,0,0]=4 6898 B17R2.41802 Cc1cccc(c1CNCc2cscn2)C 34a_100000689800_100000205941 [0,0,0,0,0,2|2,0,0]=4 6899 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)Br 207a_100000754540_100009881667 [0,0,0,0,0,2|1,0,0]=3 6900 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)Br 270004a_100000754540_100009881667 [0,0,0,0,0,2|1,0,0]=3 6901 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 207a_100000689800_100000743867 [0,0,0,0,0,2|0,0,0]=2 6902 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 207a_100000754540_100000758299 [0,0,0,0,0,2|0,0,0]=2 6903 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 270004a_100000754540_100000758299 [0,0,0,0,0,2|0,0,0]=2 6904 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)C 34a_100000689800_100016991755 [0,0,0,0,0,2|0,0,0]=2 6905 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000754540_100000041122 [0,0,0,0,0,2|1,0,0]=3 6906 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)Cl 270004a_100000754540_100000041122 [0,0,0,0,0,2|1,0,0]=3 6907 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)F 207a_100000754540_100000069827 [0,0,0,0,0,2|1,0,0]=3 6908 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)F 207a_100000762012_100000743867 [0,0,0,0,0,2|1,0,0]=3 6909 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)F 270004a_100000754540_100000069827 [0,0,0,0,0,2|1,0,0]=3 6910 B17R2.41802 Cc1cccc(c1CNCc2ncc[nH]2)F 34a_100000762012_100016991755 [0,0,0,0,0,2|1,0,0]=3 6911 B17R2.41802 Cc1cccc(c1CNCc2ncco2)Br 207a_100016994969_100009881667 [0,0,0,0,0,2|2,0,0]=4 6912 B17R2.41802 Cc1cccc(c1CNCc2ncco2)Br 2230a_100016994969_100010146847 [0,0,0,0,0,2|2,0,0]=4 6913 B17R2.41802 Cc1cccc(c1CNCc2ncco2)C 207a_100016994969_100000758299 [0,0,0,0,0,2|1,0,0]=3 6914 B17R2.41802 Cc1cccc(c1CNCc2ncco2)C 2230a_100016994969_100000758300 [0,0,0,0,0,2|1,0,0]=3 6915 B17R2.41802 Cc1cccc(c1CNCc2ncco2)C 270004a_100000689800_100000064290 [0,0,0,0,0,2|1,0,0]=3 6916 B17R2.41802 Cc1cccc(c1CNCc2ncco2)C 34a_100000689800_103436540062 [0,0,0,0,0,2|1,0,0]=3 6917 B17R2.41802 Cc1cccc(c1CNCc2ncco2)Cl 207a_100016994969_100000041122 [0,0,0,0,0,2|2,0,0]=4 6918 B17R2.41802 Cc1cccc(c1CNCc2ncco2)F 207a_100016994969_100000069827 [0,0,0,0,0,2|2,0,0]=4 6919 B17R2.41802 Cc1cccc(c1CNCc2ncco2)F 2230a_100016994969_100009814554 [0,0,0,0,0,2|2,0,0]=4 6920 B17R2.41802 Cc1cccc(c1CNCc2ncco2)F 270004a_100000762012_100000064290 [0,0,0,0,0,2|2,0,0]=4 6921 B17R2.41802 Cc1cccc(c1CNCc2ncco2)F 34a_100000762012_103436540062 [0,0,0,0,0,2|2,0,0]=4 6922 B17R2.41802 Cc1cccc(c1CNCc2ncco2)I 2230a_100016994969_100010150146 [0,0,0,0,0,2|2,0,0]=4 6923 B17R2.41802 Cc1cccc(c1CNCc2nccs2)Br 207a_100000740555_100009881667 [0,0,0,0,0,2|2,0,0]=4 6924 B17R2.41802 Cc1cccc(c1CNCc2nccs2)Br 2230a_100000740555_100010146847 [0,0,0,0,0,2|2,0,0]=4 6925 B17R2.41802 Cc1cccc(c1CNCc2nccs2)Br 270004a_100000740555_100009881667 [0,0,0,0,0,2|2,0,0]=4 6926 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 207a_100000689800_100000750902 [0,0,0,0,0,2|1,0,0]=3 6927 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 207a_100000740555_100000758299 [0,0,0,0,0,2|1,0,0]=3 6928 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 2230a_100000740555_100000758300 [0,0,0,0,0,2|1,0,0]=3 6929 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 270004a_100000689800_100000750902 [0,0,0,0,0,2|1,0,0]=3 6930 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 270004a_100000740555_100000758299 [0,0,0,0,0,2|1,0,0]=3 6931 B17R2.41802 Cc1cccc(c1CNCc2nccs2)C 34a_100000689800_100015184050 [0,0,0,0,0,2|1,0,0]=3 6932 B17R2.41802 Cc1cccc(c1CNCc2nccs2)Cl 207a_100000740555_100000041122 [0,0,0,0,0,2|2,0,0]=4 6933 B17R2.41802 Cc1cccc(c1CNCc2nccs2)Cl 270004a_100000740555_100000041122 [0,0,0,0,0,2|2,0,0]=4 6934 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 207a_100000740555_100000069827 [0,0,0,0,0,2|2,0,0]=4 6935 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 207a_100000762012_100000750902 [0,0,0,0,0,2|2,0,0]=4 6936 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 2230a_100000740555_100009814554 [0,0,0,0,0,2|2,0,0]=4 6937 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 270004a_100000740555_100000069827 [0,0,0,0,0,2|2,0,0]=4 6938 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 270004a_100000762012_100000750902 [0,0,0,0,0,2|2,0,0]=4 6939 B17R2.41802 Cc1cccc(c1CNCc2nccs2)F 34a_100000762012_100015184050 [0,0,0,0,0,2|2,0,0]=4 6940 B17R2.41802 Cc1cccc(c1CNCc2nccs2)I 2230a_100000740555_100010150146 [0,0,0,0,0,2|2,0,0]=4 6941 B17R2.41802 Cc1cccc(c1CNCc2ncon2)C 34a_100000689800_100000233494 [0,0,0,0,0,2|1,0,1]=4 6942 B17R2.41802 Cc1cccc(c1CNCc2nnc[nH]2)Br 2230a_200015183720_100010146847 [0,0,0,0,0,2|2,0,0]=4 6943 B17R2.41802 Cc1cccc(c1CNCc2nnc[nH]2)C 2230a_200015183720_100000758300 [0,0,0,0,0,2|1,0,0]=3 6944 B17R2.41802 Cc1cccc(c1CNCc2nnc[nH]2)F 2230a_200015183720_100009814554 [0,0,0,0,0,2|2,0,0]=4 6945 B17R2.41802 Cc1cccc(c1CNCc2nnc[nH]2)I 2230a_200015183720_100010150146 [0,0,0,0,0,2|2,0,0]=4 6946 B17R2.41802 Cc1cccc(c1CNCc2nnn[nH]2)C 34a_100000689800_100000765167 [0,0,0,0,0,2|2,0,0]=4 6947 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 34a_100011933981_100000737910 [0,0,0,0,0,2|0,0,2]=4 6948 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)C 7a_100011933981_100000737910 [0,0,0,0,0,2|0,0,2]=4 6949 B17R2.41802 Cc1cccc(c1COCc2c[nH]cn2)C 34a_100011933981_100000707719 [0,0,0,0,0,2|2,0,0]=4 6950 B17R2.41802 Cc1cccc(c1COCc2ccco2)C 34a_100000210059_100000758300 [0,0,0,0,0,2|2,0,0]=4 6951 B17R2.41802 Cc1cccc(c1COCc2cccs2)C 34a_100000211240_100000758300 [0,0,0,0,0,2|2,0,0]=4 6952 B17R2.41802 Cc1cccc(c1COCc2ccn[nH]2)C 34a_100011933981_100000728653 [0,0,0,0,0,2|2,0,0]=4 6953 B17R2.41802 Cc1cccc(c1COCc2ccn[nH]2)C 7a_100011933981_100000728653 [0,0,0,0,0,2|2,0,0]=4 6954 B17R2.41802 Cc1cccc(c1COCc2ccon2)C 34a_100011933981_100000234950 [0,0,0,0,0,2|2,0,0]=4 6955 B17R2.41802 Cc1cccc(c1COCc2ccon2)C 7a_100011933981_100000234950 [0,0,0,0,0,2|2,0,0]=4 6956 B17R2.41802 Cc1cccc(c1COCc2cscn2)C 34a_100011933981_100000205941 [0,0,0,0,0,2|2,0,0]=4 6957 B17R2.41802 Cc1cccc(c1COCc2cscn2)C 7a_100011933981_100000205941 [0,0,0,0,0,2|2,0,0]=4 6958 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)C 34a_100011933981_100016991755 [0,0,0,0,0,2|0,0,0]=2 6959 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)C 7a_100011933981_100000753453 [0,0,0,0,0,2|0,0,0]=2 6960 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)Cl 34a_100000082531_100016991755 [0,0,0,0,0,2|1,0,0]=3 6961 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)Cl 7a_100000082531_100000753453 [0,0,0,0,0,2|1,0,0]=3 6962 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)F 34a_100000057874_100016991755 [0,0,0,0,0,2|1,0,0]=3 6963 B17R2.41802 Cc1cccc(c1COCc2ncc[nH]2)F 7a_100000057874_100000753453 [0,0,0,0,0,2|1,0,0]=3 6964 B17R2.41802 Cc1cccc(c1COCc2ncco2)Br 34a_100000062594_100010146847 [0,0,0,0,0,2|2,0,0]=4 6965 B17R2.41802 Cc1cccc(c1COCc2ncco2)C 34a_100000062594_100000758300 [0,0,0,0,0,2|1,0,0]=3 6966 B17R2.41802 Cc1cccc(c1COCc2ncco2)C 34a_100011933981_103436540062 [0,0,0,0,0,2|1,0,0]=3 6967 B17R2.41802 Cc1cccc(c1COCc2ncco2)C 7a_100011933981_103436540062 [0,0,0,0,0,2|1,0,0]=3 6968 B17R2.41802 Cc1cccc(c1COCc2ncco2)Cl 34a_100000082531_103436540062 [0,0,0,0,0,2|2,0,0]=4 6969 B17R2.41802 Cc1cccc(c1COCc2ncco2)Cl 7a_100000082531_103436540062 [0,0,0,0,0,2|2,0,0]=4 6970 B17R2.41802 Cc1cccc(c1COCc2ncco2)F 34a_100000057874_103436540062 [0,0,0,0,0,2|2,0,0]=4 6971 B17R2.41802 Cc1cccc(c1COCc2ncco2)F 34a_100000062594_100009814554 [0,0,0,0,0,2|2,0,0]=4 6972 B17R2.41802 Cc1cccc(c1COCc2ncco2)F 7a_100000057874_103436540062 [0,0,0,0,0,2|2,0,0]=4 6973 B17R2.41802 Cc1cccc(c1COCc2ncco2)I 34a_100000062594_100010150146 [0,0,0,0,0,2|2,0,0]=4 6974 B17R2.41802 Cc1cccc(c1COCc2nccs2)C 34a_100011933981_100015184050 [0,0,0,0,0,2|1,0,0]=3 6975 B17R2.41802 Cc1cccc(c1COCc2nccs2)C 7a_100011933981_100015184050 [0,0,0,0,0,2|1,0,0]=3 6976 B17R2.41802 Cc1cccc(c1COCc2nccs2)Cl 34a_100000082531_100015184050 [0,0,0,0,0,2|2,0,0]=4 6977 B17R2.41802 Cc1cccc(c1COCc2nccs2)Cl 7a_100000082531_100015184050 [0,0,0,0,0,2|2,0,0]=4 6978 B17R2.41802 Cc1cccc(c1COCc2nccs2)F 34a_100000057874_100015184050 [0,0,0,0,0,2|2,0,0]=4 6979 B17R2.41802 Cc1cccc(c1COCc2nccs2)F 7a_100000057874_100015184050 [0,0,0,0,0,2|2,0,0]=4 6980 B17R2.41802 Cc1cccc(c1COCc2ncon2)C 34a_100011933981_100000233494 [0,0,0,0,0,2|1,0,1]=4 6981 B17R2.41802 Cc1cccc(c1COCc2nnn[nH]2)C 34a_100011933981_100000765167 [0,0,0,0,0,2|2,0,0]=4 6982 B17R2.41802 Cc1cccc(c1COCc2nnn[nH]2)C 7a_100011933981_100000765167 [0,0,0,0,0,2|2,0,0]=4 6983 B17R2.41802 Cc1cccc(c1COCn2cccn2)C 34a_100000731028_100000758300 [0,0,0,0,0,2|2,0,0]=4 6984 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)C 62a_100000737910_100000758300 [0,0,0,0,0,2|0,0,2]=4 6985 B17R2.41802 Cc1cccc(c1CSCC2=NCCN2)C 62a_100000758300_100000737910 [0,0,0,0,0,2|0,0,2]=4 6986 B17R2.41802 Cc1cccc(c1CSCc2c[nH]cn2)C 62a_100000707719_100000758300 [0,0,0,0,0,2|2,0,0]=4 6987 B17R2.41802 Cc1cccc(c1CSCc2c[nH]cn2)C 62a_100000758300_100000707719 [0,0,0,0,0,2|2,0,0]=4 6988 B17R2.41802 Cc1cccc(c1CSCc2ccn[nH]2)C 62a_100000728653_100000758300 [0,0,0,0,0,2|2,0,0]=4 6989 B17R2.41802 Cc1cccc(c1CSCc2ccn[nH]2)C 62a_100000758300_100000728653 [0,0,0,0,0,2|2,0,0]=4 6990 B17R2.41802 Cc1cccc(c1CSCc2ccon2)C 62a_100000234950_100000758300 [0,0,0,0,0,2|2,0,0]=4 6991 B17R2.41802 Cc1cccc(c1CSCc2ccon2)C 62a_100000758300_100000234950 [0,0,0,0,0,2|2,0,0]=4 6992 B17R2.41802 Cc1cccc(c1CSCc2cscn2)C 62a_100000205941_100000758300 [0,0,0,0,0,2|2,0,0]=4 6993 B17R2.41802 Cc1cccc(c1CSCc2cscn2)C 62a_100000758300_100000205941 [0,0,0,0,0,2|2,0,0]=4 6994 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)Br 62a_100010146847_100016991755 [0,0,0,0,0,2|1,0,0]=3 6995 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)Br 62a_100016991755_100010146847 [0,0,0,0,0,2|1,0,0]=3 6996 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)C 62a_100000758300_100016991755 [0,0,0,0,0,2|0,0,0]=2 6997 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)C 62a_100016991755_100000758300 [0,0,0,0,0,2|0,0,0]=2 6998 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)F 62a_100009814554_100016991755 [0,0,0,0,0,2|1,0,0]=3 6999 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)F 62a_100016991755_100009814554 [0,0,0,0,0,2|1,0,0]=3 7000 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)I 62a_100010150146_100016991755 [0,0,0,0,0,2|1,0,0]=3 7001 B17R2.41802 Cc1cccc(c1CSCc2ncc[nH]2)I 62a_100016991755_100010150146 [0,0,0,0,0,2|1,0,0]=3 7002 B17R2.41802 Cc1cccc(c1CSCc2ncco2)Br 62a_100010146847_103436540062 [0,0,0,0,0,2|2,0,0]=4 7003 B17R2.41802 Cc1cccc(c1CSCc2ncco2)Br 62a_103436540062_100010146847 [0,0,0,0,0,2|2,0,0]=4 7004 B17R2.41802 Cc1cccc(c1CSCc2ncco2)C 62a_100000758300_103436540062 [0,0,0,0,0,2|1,0,0]=3 7005 B17R2.41802 Cc1cccc(c1CSCc2ncco2)C 62a_103436540062_100000758300 [0,0,0,0,0,2|1,0,0]=3 7006 B17R2.41802 Cc1cccc(c1CSCc2ncco2)F 62a_100009814554_103436540062 [0,0,0,0,0,2|2,0,0]=4 7007 B17R2.41802 Cc1cccc(c1CSCc2ncco2)F 62a_103436540062_100009814554 [0,0,0,0,0,2|2,0,0]=4 7008 B17R2.41802 Cc1cccc(c1CSCc2ncco2)I 62a_100010150146_103436540062 [0,0,0,0,0,2|2,0,0]=4 7009 B17R2.41802 Cc1cccc(c1CSCc2ncco2)I 62a_103436540062_100010150146 [0,0,0,0,0,2|2,0,0]=4 7010 B17R2.41802 Cc1cccc(c1CSCc2nccs2)Br 62a_100010146847_100015184050 [0,0,0,0,0,2|2,0,0]=4 7011 B17R2.41802 Cc1cccc(c1CSCc2nccs2)Br 62a_100015184050_100010146847 [0,0,0,0,0,2|2,0,0]=4 7012 B17R2.41802 Cc1cccc(c1CSCc2nccs2)C 62a_100000758300_100015184050 [0,0,0,0,0,2|1,0,0]=3 7013 B17R2.41802 Cc1cccc(c1CSCc2nccs2)C 62a_100015184050_100000758300 [0,0,0,0,0,2|1,0,0]=3 7014 B17R2.41802 Cc1cccc(c1CSCc2nccs2)F 62a_100009814554_100015184050 [0,0,0,0,0,2|2,0,0]=4 7015 B17R2.41802 Cc1cccc(c1CSCc2nccs2)F 62a_100015184050_100009814554 [0,0,0,0,0,2|2,0,0]=4 7016 B17R2.41802 Cc1cccc(c1CSCc2nccs2)I 62a_100010150146_100015184050 [0,0,0,0,0,2|2,0,0]=4 7017 B17R2.41802 Cc1cccc(c1CSCc2nccs2)I 62a_100015184050_100010150146 [0,0,0,0,0,2|2,0,0]=4 7018 B17R2.41802 Cc1cccc(c1CSCc2ncon2)C 62a_100000233494_100000758300 [0,0,0,0,0,2|1,0,1]=4 7019 B17R2.41802 Cc1cccc(c1CSCc2ncon2)C 62a_100000758300_100000233494 [0,0,0,0,0,2|1,0,1]=4 7020 B17R2.41802 Cc1cccc(c1CSCc2nnn[nH]2)C 62a_100000758300_100000765167 [0,0,0,0,0,2|2,0,0]=4 7021 B17R2.41802 Cc1cccc(c1CSCc2nnn[nH]2)C 62a_100000765167_100000758300 [0,0,0,0,0,2|2,0,0]=4 7022 B17R2.41802 Cc1cccc(c1NCCc2cccs2)C 34a_100000185769_100000748579 [0,0,0,0,0,2|2,0,0]=4 7023 B17R2.41802 Cc1cccc(c1NCCn2cccn2)C 34a_100000185769_100015204718 [0,0,0,0,0,2|2,0,0]=4 7024 B17R2.41802 Cc1cccc(c1NN=Cc2ccc[nH]2)C 4a_100016987787_100000211237 [0,0,0,0,0,2|1,0,1]=4 7025 B17R2.41802 Cc1cccc(c1NN=Cc2ncc[nH]2)C 4a_100016987787_100000743867 [0,0,0,0,0,2|0,0,1]=3 7026 B17R2.41802 Cc1cccc(c1NN=Cc2ncco2)C 4a_100016987787_100000064290 [0,0,0,0,0,2|1,0,1]=4 7027 B17R2.41802 Cc1cccc(c1NN=Cc2nccs2)C 4a_100016987787_100000750902 [0,0,0,0,0,2|1,0,1]=4 7028 B17R2.41802 Cc1cccc(c1OCCc2c[nH]cn2)C 7a_100000210341_100020628418 [0,0,0,0,0,2|2,0,0]=4 7029 B17R2.41802 Cc1cccc(c1OCCc2cccs2)C 34a_100000210341_100000748579 [0,0,0,0,0,2|2,0,0]=4 7030 B17R2.41802 Cc1cccc(c1OCCc2cccs2)C 7a_100000210341_100000748579 [0,0,0,0,0,2|2,0,0]=4 7031 B17R2.41802 Cc1cccc(c1OCCc2nnn[nH]2)C 7a_100000210341_100000031946 [0,0,0,0,0,2|2,0,0]=4 7032 B17R2.41802 Cc1cccc(c1OCCn2cccn2)C 34a_100000210341_100015204718 [0,0,0,0,0,2|2,0,0]=4 7033 B17R2.41802 Cc1cccc(c1OCCn2cccn2)C 7a_100000210341_100000685285 [0,0,0,0,0,2|2,0,0]=4 7034 B17R2.41802 Cc1cccc(c1SCCc2c[nH]cn2)C 62a_100000033847_100020628418 [0,0,0,0,0,2|2,0,0]=4 7035 B17R2.41802 Cc1cccc(c1SCCc2c[nH]cn2)C 62a_100020628418_100000033847 [0,0,0,0,0,2|2,0,0]=4 7036 B17R2.41802 Cc1cccc(c1SCCc2cccs2)C 62a_100000033847_100000748579 [0,0,0,0,0,2|2,0,0]=4 7037 B17R2.41802 Cc1cccc(c1SCCc2cccs2)C 62a_100000748579_100000033847 [0,0,0,0,0,2|2,0,0]=4 7038 B17R2.41802 Cc1cccc(c1SCCc2nnn[nH]2)C 62a_100000031946_100000033847 [0,0,0,0,0,2|2,0,0]=4 7039 B17R2.41802 Cc1cccc(c1SCCc2nnn[nH]2)C 62a_100000033847_100000031946 [0,0,0,0,0,2|2,0,0]=4 7040 B17R2.41802 Cc1cccc(c1SCCn2cccn2)C 62a_100000033847_100000685285 [0,0,0,0,0,2|2,0,0]=4 7041 B17R2.41802 Cc1cccc(c1SCCn2cccn2)C 62a_100015204718_100000033847 [0,0,0,0,0,2|2,0,0]=4 7042 B17R2.41802 Cc1ccnc(c1CNCc2ncc[nH]2)F 207a_100000754540_100000087869 [0,0,0,0,0,2|2,0,0]=4 7043 B17R2.41802 Cc1ccnc(c1NCCc2ncc[nH]2)F 27a_100000754300_100009818256 [0,0,0,0,0,2|2,0,0]=4 7044 B17R2.41802 Cc1ncnc(c1NCCc2ncc[nH]2)C 27a_100000754300_100009820708 [0,0,0,0,0,2|2,0,0]=4 7045 B17R2.41802 Clc1cccc(c1CCSc2ncc[nH]2)Cl 62a_100012161200_100025796157 [0,0,0,0,0,2|2,0,0]=4 7046 B17R2.41802 Clc1cccc(c1CCSc2ncc[nH]2)Cl 62a_100025796157_100012161200 [0,0,0,0,0,2|2,0,0]=4 7047 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Br 207a_100000754540_100011249081 [0,0,0,0,0,2|2,0,0]=4 7048 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Br 270004a_100000754540_100011249081 [0,0,0,0,0,2|2,0,0]=4 7049 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000174884_100000743867 [0,0,0,0,0,2|2,0,0]=4 7050 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000754540_100000189306 [0,0,0,0,0,2|2,0,0]=4 7051 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 2230a_100000174884_100016991755 [0,0,0,0,0,2|2,0,0]=4 7052 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 270004a_100000754540_100000189306 [0,0,0,0,0,2|2,0,0]=4 7053 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 34a_100000174884_100016991755 [0,0,0,0,0,2|2,0,0]=4 7054 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)I 207a_100000754540_100010147682 [0,0,0,0,0,2|2,0,0]=4 7055 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)I 270004a_100000754540_100010147682 [0,0,0,0,0,2|2,0,0]=4 7056 B17R2.41802 Clc1cccc(c1COCc2ncc[nH]2)Cl 34a_100000215722_100016991755 [0,0,0,0,0,2|2,0,0]=4 7057 B17R2.41802 Clc1cccc(c1COCc2ncc[nH]2)Cl 7a_100000215722_100000753453 [0,0,0,0,0,2|2,0,0]=4 7058 B17R2.41802 Clc1cccc(c1CSCc2ncc[nH]2)Br 62a_100010138402_100016991755 [0,0,0,0,0,2|2,0,0]=4 7059 B17R2.41802 Clc1cccc(c1CSCc2ncc[nH]2)Br 62a_100016991755_100010138402 [0,0,0,0,0,2|2,0,0]=4 7060 B17R2.41802 Clc1cccc(c1CSCc2ncc[nH]2)Cl 62a_100000187851_100016991755 [0,0,0,0,0,2|2,0,0]=4 7061 B17R2.41802 Clc1cccc(c1CSCc2ncc[nH]2)Cl 62a_100016991755_100000187851 [0,0,0,0,0,2|2,0,0]=4 7062 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Br 207a_100000754540_100000752695 [0,0,0,0,0,2|2,0,0]=4 7063 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Br 207a_100012349121_100000743867 [0,0,0,0,0,2|2,0,0]=4 7064 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Br 270004a_100000754540_100000752695 [0,0,0,0,0,2|2,0,0]=4 7065 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Br 34a_100012349121_100016991755 [0,0,0,0,0,2|2,0,0]=4 7066 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000174883_100000743867 [0,0,0,0,0,2|2,0,0]=4 7067 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000754540_100000210083 [0,0,0,0,0,2|2,0,0]=4 7068 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Cl 270004a_100000754540_100000210083 [0,0,0,0,0,2|2,0,0]=4 7069 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)Cl 34a_100000174883_100016991755 [0,0,0,0,0,2|2,0,0]=4 7070 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)F 207a_100000688400_100000743867 [0,0,0,0,0,2|2,0,0]=4 7071 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)F 207a_100000754540_100000211061 [0,0,0,0,0,2|2,0,0]=4 7072 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)F 270004a_100000754540_100000211061 [0,0,0,0,0,2|2,0,0]=4 7073 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)F 34a_100000688400_100016991755 [0,0,0,0,0,2|2,0,0]=4 7074 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)I 207a_100000754540_100010178011 [0,0,0,0,0,2|2,0,0]=4 7075 B17R2.41802 Fc1cccc(c1CNCc2ncc[nH]2)I 270004a_100000754540_100010178011 [0,0,0,0,0,2|2,0,0]=4 7076 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)Br 34a_100012355691_100016991755 [0,0,0,0,0,2|2,0,0]=4 7077 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)Br 7a_100012355691_100000753453 [0,0,0,0,0,2|2,0,0]=4 7078 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)Cl 34a_100000215723_100016991755 [0,0,0,0,0,2|2,0,0]=4 7079 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)Cl 7a_100000215723_100000753453 [0,0,0,0,0,2|2,0,0]=4 7080 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)F 34a_100000698215_100016991755 [0,0,0,0,0,2|2,0,0]=4 7081 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)F 7a_100000698215_100000753453 [0,0,0,0,0,2|2,0,0]=4 7082 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)I 34a_100010214973_100016991755 [0,0,0,0,0,2|2,0,0]=4 7083 B17R2.41802 Fc1cccc(c1COCc2ncc[nH]2)I 7a_100010214973_100000753453 [0,0,0,0,0,2|2,0,0]=4 7084 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)Br 62a_100012145669_100016991755 [0,0,0,0,0,2|2,0,0]=4 7085 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)Br 62a_100016991755_100012145669 [0,0,0,0,0,2|2,0,0]=4 7086 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)Cl 62a_100000187852_100016991755 [0,0,0,0,0,2|2,0,0]=4 7087 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)Cl 62a_100016991755_100000187852 [0,0,0,0,0,2|2,0,0]=4 7088 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)F 62a_100000709179_100016991755 [0,0,0,0,0,2|2,0,0]=4 7089 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)F 62a_100016991755_100000698325 [0,0,0,0,0,2|2,0,0]=4 7090 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)I 62a_100010149602_100016991755 [0,0,0,0,0,2|2,0,0]=4 7091 B17R2.41802 Fc1cccc(c1CSCc2ncc[nH]2)I 62a_100016991755_100010149602 [0,0,0,0,0,2|2,0,0]=4 7092 B17R2.41802 Nc1cccc(c1COCc2ncc[nH]2)Br 34a_100000747656_100016991755 [0,0,0,0,0,2|2,0,0]=4 7093 B17R2.41802 Nc1cccc(c1COCc2ncc[nH]2)Cl 34a_100011916388_100016991755 [0,0,0,0,0,2|2,0,0]=4 7094 B17R2.41802 Nc1cccc(c1COCc2ncc[nH]2)F 34a_100011846719_100016991755 [0,0,0,0,0,2|2,0,0]=4