0 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000730704_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000756875_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.172 C=C(C)CCSc1c[nH]nn1 62a_100000730704_100009819707 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.172 C=C(C)CCSc1c[nH]nn1 62a_100009819707_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.172 C=C(C)CCSc1cscn1 62a_100000730704_100000751502 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.172 C=C(C)CCSc1cscn1 62a_100000751502_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.172 C=C(C)CCSc1nc[nH]n1 62a_100000730704_100000761765 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.172 C=C(C)CCSc1nc[nH]n1 62a_100000761765_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.172 C=C(C)CNCc1cscn1 2230a_100015185402_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000707719_100000211660 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000748629_100000707719 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.172 C=C(C)CSCc1cscn1 62a_100000205941_100000211660 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.172 C=C(C)CSCc1cscn1 62a_100000748629_100000205941 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.172 C=C(F)COCc1c[nH]cn1 34a_200010262243_100000707719 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000042424_100000707719 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.172 C=C(F)CSCc1c[nH]cn1 62a_100000707719_100000042424 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000756875_100000761012 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.172 CC(=CCSc1c[nH]cn1)C 62a_100000761012_100000756875 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.172 CC(=CCSc1c[nH]nn1)C 62a_100000761012_100009819707 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.172 CC(=CCSc1c[nH]nn1)C 62a_100009819707_100000761012 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.172 CC(=CCSc1cscn1)C 62a_100000751502_100000761012 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.172 CC(=CCSc1cscn1)C 62a_100000761012_100000751502 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.172 CC(=CCSc1nc[nH]n1)C 62a_100000761012_100000761765 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.172 CC(=CCSc1nc[nH]n1)C 62a_100000761765_100000761012 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100000053229_100009819707 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100009819707_100000053229 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000053229_100000238712 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000238712_100000053229 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000053229_100000761765 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000761765_100000053229 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.172 CC(=O)CCSc1ncns1 62a_100000053229_100000693119 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.172 CC(=O)CCSc1ncns1 62a_100000693119_100000053229 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,0|2,0,0]=2 74 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.172 CC(=O)COCc1ncon1 34a_100000211253_100000233494 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.172 CC(=O)COCn1cncn1 34a_100000211253_200020645497 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.172 CC(=O)NCCN1CC=CC1 269982a_100015195280_100000189650 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,0|0,0,0]=0 85 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,0|0,0,0]=0 86 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.172 CC(=O)NCCc1cn[nH]c1 240690a_100000732747_100015343762 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.172 CC(=O)NCCc1cn[nH]c1 527a_100000732747_100103153847 [0,0,0,0,0,0|2,0,0]=2 100 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,0|1,0,1]=2 101 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,0|1,0,1]=2 102 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,0|1,0,1]=2 103 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,0|1,0,1]=2 104 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,0|2,0,0]=2 109 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,0|2,0,0]=2 110 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,0|2,0,0]=2 111 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.172 CC(=O)NCCn1ccnc1 11a_100000230061_100015343762 [0,0,0,0,0,0|2,0,1]=3 118 B11R1.172 CC(=O)NCCn1ccnc1 240690a_100000230061_100015343762 [0,0,0,0,0,0|2,0,1]=3 119 B11R1.172 CC(=O)NCCn1ccnc1 527a_100000230061_100103153847 [0,0,0,0,0,0|2,0,1]=3 120 B11R1.172 CC(=O)NCCn1cncn1 11a_200000738561_100015343762 [0,0,0,0,0,0|1,0,1]=2 121 B11R1.172 CC(=O)NCCn1cncn1 240690a_200000738561_100015343762 [0,0,0,0,0,0|1,0,1]=2 122 B11R1.172 CC(=O)NN=Cc1cc[nH]c1 4a_100000189765_100000760201 [0,0,0,0,0,0|2,0,1]=3 123 B11R1.172 CC(=O)NN=Cc1cc[nH]n1 4a_100000189765_100000738523 [0,0,0,0,0,0|3,0,1]=4 124 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,0|2,0,2]=4 125 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.172 CC(=O)NN=Cc1ccoc1 4a_100000189765_100011215517 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.172 CC(=O)NN=Cc1ccsc1 4a_100000189765_100000188534 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.172 CC(=O)NN=Cc1cn[nH]c1 4a_100000189765_100016992096 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.172 CC(=O)NN=Cc1cnc[nH]1 4a_100000189765_100000742939 [0,0,0,0,0,0|1,0,3]=4 131 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,0|2,0,2]=4 132 B11R1.172 CC(=O)NN=Cc1cncs1 4a_100000189765_100000749870 [0,0,0,0,0,0|2,0,2]=4 133 B11R1.172 CC(=O)NN=Cc1cocn1 4a_100000189765_100000050382 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.172 CC(=O)NN=Cc1cscn1 4a_100000189765_100000743575 [0,0,0,0,0,0|2,0,1]=3 135 B11R1.172 CC(=O)NN=Cc1csnn1 4a_100000189765_100000738508 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.172 CC(=O)NN=Cc1ncc[nH]1 4a_100000189765_100000743867 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,0|3,0,1]=4 138 B11R1.172 CC(=O)NN=Cc1nccs1 4a_100000189765_100000750902 [0,0,0,0,0,0|3,0,1]=4 139 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,0,0,0,0,0|4,0,0]=4 140 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100000076356_100009819707 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100009819707_100000076356 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000062575_100000076356 [0,0,0,0,0,0|4,0,0]=4 145 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000076356_100000062575 [0,0,0,0,0,0|4,0,0]=4 146 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,0|4,0,0]=4 147 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,0|4,0,0]=4 148 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,0|4,0,0]=4 149 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,0|4,0,0]=4 150 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [0,0,0,0,0,0|4,0,0]=4 151 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [0,0,0,0,0,0|4,0,0]=4 152 B11R1.172 CC(=O)OCSc1ccon1 62a_100000076356_100009818083 [0,0,0,0,0,0|4,0,0]=4 153 B11R1.172 CC(=O)OCSc1ccon1 62a_100009818083_100000076356 [0,0,0,0,0,0|4,0,0]=4 154 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [0,0,0,0,0,0|4,0,0]=4 155 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [0,0,0,0,0,0|4,0,0]=4 156 B11R1.172 CC(=O)OCSc1ccsn1 62a_100000076356_100009818082 [0,0,0,0,0,0|4,0,0]=4 157 B11R1.172 CC(=O)OCSc1ccsn1 62a_100009818082_100000076356 [0,0,0,0,0,0|4,0,0]=4 158 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000076356_100000238712 [0,0,0,0,0,0|4,0,0]=4 159 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000238712_100000076356 [0,0,0,0,0,0|4,0,0]=4 160 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,0|3,0,1]=4 162 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,0,0,0,0,0|3,0,0]=3 166 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000076356_100000761765 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000761765_100000076356 [0,0,0,0,0,0|3,0,0]=3 168 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100000076356_100025796157 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100025796157_100000076356 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,0,0,0,0,0|4,0,0]=4 174 B11R1.172 CC(=O)OCSc1ncns1 62a_100000076356_100000693119 [0,0,0,0,0,0|3,0,1]=4 175 B11R1.172 CC(=O)OCSc1ncns1 62a_100000693119_100000076356 [0,0,0,0,0,0|3,0,1]=4 176 B11R1.172 CC(Br)COCc1c[nH]cn1 34a_100012180447_100000707719 [0,0,0,0,0,0|3,0,1]=4 177 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000210312_100000756875 [0,0,0,0,0,0|3,0,1]=4 178 B11R1.172 CC(C)CCSc1c[nH]cn1 62a_100000756875_100000210312 [0,0,0,0,0,0|3,0,1]=4 179 B11R1.172 CC(C)CNCc1c[nH]cn1 2230a_100000210953_100000707719 [0,0,0,0,0,0|3,0,1]=4 180 B11R1.172 CC(C)CNCc1c[nH]cn1 34a_100000210953_100000707719 [0,0,0,0,0,0|3,0,1]=4 181 B11R1.172 CC(C)COCc1c[nH]cn1 34a_100000210257_100000707719 [0,0,0,0,0,0|3,0,1]=4 182 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000210624_100000707719 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.172 CC(C)CSCc1c[nH]cn1 62a_100000707719_100000210760 [0,0,0,0,0,0|3,0,1]=4 184 B11R1.172 CC(C)NCCc1c[nH]cn1 2230a_100138425928_100020628418 [0,0,0,0,0,0|1,0,1]=2 185 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,0|3,0,1]=4 187 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,0,0,0,0,0|3,0,1]=4 188 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,0,0,0,0,0|3,0,1]=4 189 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,0,0,0,0,0|3,0,1]=4 190 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,0,0,0,0,0|3,0,1]=4 191 B11R1.172 CC(C)NCCc1ccsc1 2230a_100000692642_100000210206 [0,0,0,0,0,0|3,0,1]=4 192 B11R1.172 CC(C)NCCc1ccsc1 34a_100000692642_100000210206 [0,0,0,0,0,0|3,0,1]=4 193 B11R1.172 CC(C)NCCc1cn[nH]c1 2230a_100000732747_100000210206 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.172 CC(C)NCCc1cn[nH]c1 2230a_100138425928_100000743252 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.172 CC(C)NCCc1cncs1 2230a_100016991637_100000210206 [0,0,0,0,0,0|2,0,2]=4 196 B11R1.172 CC(C)NCCc1nccs1 2230a_100015186391_100000210206 [0,0,0,0,0,0|3,0,1]=4 197 B11R1.172 CC(C)NCCn1cccn1 2230a_100011200920_100000210206 [0,0,0,0,0,0|3,0,1]=4 198 B11R1.172 CC(C)NCCn1cccn1 2230a_100138425928_100000685285 [0,0,0,0,0,0|3,0,1]=4 199 B11R1.172 CC(C)NCCn1cccn1 34a_100138425928_100015204718 [0,0,0,0,0,0|3,0,1]=4 200 B11R1.172 CC(C)NCCn1cncn1 2230a_100138425928_100000731791 [0,0,0,0,0,0|2,0,2]=4 201 B11R1.172 CC(C)NCCn1cncn1 2230a_200000738561_100000210206 [0,0,0,0,0,0|2,0,2]=4 202 B11R1.172 CC(C)NCCn1cncn1 34a_100138425928_200000749826 [0,0,0,0,0,0|2,0,2]=4 203 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000709892_100000756875 [0,0,0,0,0,0|3,0,1]=4 204 B11R1.172 CC(C)OCSc1c[nH]cn1 62a_100000756875_100000709892 [0,0,0,0,0,0|3,0,1]=4 205 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100000210206_100020628418 [0,0,0,0,0,0|2,0,1]=3 206 B11R1.172 CC(C)SCCc1c[nH]cn1 62a_100020628418_100000210206 [0,0,0,0,0,0|2,0,1]=3 207 B11R1.172 CC(F)COCc1c[nH]cn1 34a_100015925927_100000707719 [0,0,0,0,0,0|3,0,1]=4 208 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100000756875_100012276601 [0,0,0,0,0,0|2,0,2]=4 209 B11R1.172 CC(O)CCSc1c[nH]cn1 62a_100012276601_100000756875 [0,0,0,0,0,0|2,0,2]=4 210 B11R1.172 CC(O)CNCc1c[nH]cn1 2230a_100000210904_100000707719 [0,0,0,0,0,0|2,0,2]=4 211 B11R1.172 CC(O)CNCc1c[nH]cn1 34a_100000210904_100000707719 [0,0,0,0,0,0|2,0,2]=4 212 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100000707719_100011218427 [0,0,0,0,0,0|2,0,2]=4 213 B11R1.172 CC(O)CSCc1c[nH]cn1 62a_100011218427_100000707719 [0,0,0,0,0,0|2,0,2]=4 214 B11R1.172 CN(C)CCSc1c[nH]cn1 62a_100000756875_100000755713 [0,0,0,0,0,0|4,0,0]=4 215 B11R1.172 C[C@@H](Cl)COCc1c[nH]cn1 34a_100016084084_100000707719 [0,0,0,0,0,0|3,0,1]=4 216 B11R1.172 C[C@@H](N)COCc1c[nH]cn1 34a_100000737577_100000707719 [0,0,0,0,0,0|3,0,1]=4 217 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100009817552 [0,0,0,0,0,0|2,0,2]=4 218 B11R1.172 C[C@@H](O)CSCc1c[nH]cn1 62a_100009817552_100000707719 [0,0,0,0,0,0|2,0,2]=4 219 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000744528_100000756875 [0,0,0,0,0,0|3,0,0]=3 220 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000756875_100000744528 [0,0,0,0,0,0|3,0,0]=3 221 B11R1.172 NC(=O)CCSc1c[nH]nn1 62a_100000744528_100009819707 [0,0,0,0,0,0|4,0,0]=4 222 B11R1.172 NC(=O)CCSc1c[nH]nn1 62a_100009819707_100000744528 [0,0,0,0,0,0|4,0,0]=4 223 B11R1.172 NC(=O)CCSc1cscn1 62a_100000744528_100000751502 [0,0,0,0,0,0|4,0,0]=4 224 B11R1.172 NC(=O)CCSc1cscn1 62a_100000751502_100000744528 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.172 NC(=O)CCSc1nc[nH]n1 62a_100000744528_100000761765 [0,0,0,0,0,0|4,0,0]=4 226 B11R1.172 NC(=O)CCSc1nc[nH]n1 62a_100000761765_100000744528 [0,0,0,0,0,0|4,0,0]=4 227 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,0|3,0,0]=3 228 B11R1.172 NC(=O)CNCc1cscn1 2230a_100000711301_100000205941 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.172 NC(=O)CNCc1cscn1 2230a_100015185402_100000747473 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,0|3,0,0]=3 231 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,0|3,0,0]=3 232 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,0,0,0,0,0|4,0,0]=4 233 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,0,0,0,0,0|4,0,0]=4 234 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,0|3,0,0]=3 235 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,0|3,0,0]=3 237 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,0|3,0,0]=3 238 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,0,0,0,0,0|4,0,0]=4 239 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,0,0,0,0,0|4,0,0]=4 240 B11R1.172 O=[N+]([O-])CSCc1c[nH]cn1 62a_100000707719_100000761209 [0,0,0,0,0,0|4,0,0]=4 241 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,0|3,0,0]=3 242 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,0|4,0,0]=4 243 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,0|3,0,0]=3 244 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,0,0,0,0,0|3,0,1]=4 245 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,0,0,0,0,0|2,0,1]=3 246 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100000756875_100102629194 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.21 C/C=C/CSc1c[nH]cn1 62a_100102629194_100000756875 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.21 C/C=C/CSc1c[nH]nn1 62a_100009819707_100102629194 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.21 C/C=C/CSc1c[nH]nn1 62a_100102629194_100009819707 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.21 C/C=C/CSc1cscn1 62a_100000751502_100102629194 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.21 C/C=C/CSc1cscn1 62a_100102629194_100000751502 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.21 C/C=C/CSc1nc[nH]n1 62a_100000761765_100102629194 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.21 C/C=C/CSc1nc[nH]n1 62a_100102629194_100000761765 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.21 C=CCCSc1c[nH]cn1 62a_100000754431_100000756875 [1,0,0,0,0,0|2,0,1]=4 255 B10R1.21 C=CCCSc1c[nH]cn1 62a_100000756875_100000754431 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.21 C=CCNCc1c[nH]cn1 2230a_100020586998_100000707719 [1,0,0,0,0,0|2,0,1]=4 257 B10R1.21 C=CCOCc1c[nH]cn1 34a_200000210373_100000707719 [1,0,0,0,0,0|2,0,1]=4 258 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000210623_100000707719 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.21 C=CCSCc1c[nH]cn1 62a_100000707719_100000210623 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.21 CC#CCSc1c[nH]cn1 62a_100000748600_100000756875 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.21 CC#CCSc1c[nH]cn1 62a_100000756875_100000748600 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000070051_100000756875 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.21 CC=CCSc1c[nH]cn1 62a_100000756875_100000070051 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.21 CC=CCSc1c[nH]nn1 62a_100000070051_100009819707 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.21 CC=CCSc1c[nH]nn1 62a_100009819707_100000070051 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.21 CC=CCSc1cscn1 62a_100000070051_100000751502 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.21 CC=CCSc1cscn1 62a_100000751502_100000070051 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.21 CC=CCSc1nc[nH]n1 62a_100000070051_100000761765 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.21 CC=CCSc1nc[nH]n1 62a_100000761765_100000070051 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.21 CCCCSc1c[nH]cn1 62a_100000210211_100000756875 [1,0,0,0,0,0|2,0,1]=4 271 B10R1.21 CCCCSc1c[nH]cn1 62a_100000756875_100000210210 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.21 CCCOCc1c[nH]cn1 34a_100000210258_100000707719 [1,0,0,0,0,0|2,0,1]=4 273 B10R1.21 CCCSCc1c[nH]cn1 62a_100000210303_100000707719 [1,0,0,0,0,0|2,0,1]=4 274 B10R1.21 CCCSCc1c[nH]cn1 62a_100000707719_100000210303 [1,0,0,0,0,0|2,0,1]=4 275 B10R1.21 CCNCCc1c[nH]cn1 2230a_100015525214_100020628418 [1,0,0,0,0,0|0,0,1]=2 276 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,0,0,0|2,0,1]=4 277 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,0,0,0|2,0,1]=4 278 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [1,0,0,0,0,0|2,0,1]=4 282 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [1,0,0,0,0,0|2,0,1]=4 283 B10R1.21 CCNCCc1cn[nH]c1 2230a_100000732747_100000210202 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.21 CCNCCc1cn[nH]c1 2230a_100015525214_100000743252 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.21 CCNCCc1cncs1 2230a_100016991637_100000210202 [1,0,0,0,0,0|1,0,2]=4 286 B10R1.21 CCNCCc1nccs1 2230a_100015186391_100000210202 [1,0,0,0,0,0|2,0,1]=4 287 B10R1.21 CCNCCn1cccn1 2230a_100011200920_100000210202 [1,0,0,0,0,0|2,0,1]=4 288 B10R1.21 CCNCCn1cccn1 2230a_100015525214_100000685285 [1,0,0,0,0,0|2,0,1]=4 289 B10R1.21 CCNCCn1cncn1 2230a_100015525214_100000731791 [1,0,0,0,0,0|1,0,2]=4 290 B10R1.21 CCNCCn1cncn1 2230a_200000738561_100000210202 [1,0,0,0,0,0|1,0,2]=4 291 B10R1.21 CCOCSc1c[nH]cn1 62a_100000739092_100000756875 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.21 CCOCSc1c[nH]cn1 62a_100000756875_100000739092 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.21 CCSCCc1c[nH]cn1 62a_100000210202_100020628418 [1,0,0,0,0,0|1,0,1]=3 294 B10R1.21 CCSCCc1c[nH]cn1 62a_100020628418_100000210202 [1,0,0,0,0,0|1,0,1]=3 295 B10R1.21 COCCSc1c[nH]cn1 62a_100000233755_100000756875 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.21 COCCSc1c[nH]cn1 62a_100000756875_100000233755 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.21 COCSCc1c[nH]cn1 62a_100000707719_100000766300 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.21 COCSCc1c[nH]cn1 62a_100000766300_100000707719 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.21 CSCCSc1c[nH]cn1 62a_100000212216_100000756875 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.21 CSCCSc1c[nH]cn1 62a_100000756875_100000751147 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.21 CSCSCc1c[nH]cn1 62a_100000707719_100011218213 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.21 CSCSCc1c[nH]cn1 62a_100011218213_100000707719 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.21 FCSCCc1c[nH]cn1 62a_100015361967_100020628418 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.21 FCSCCc1c[nH]cn1 62a_100020628418_100015361967 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [1,0,0,0,0,0|3,0,0]=4 310 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.54 CC(=O)NCC(O)c1ccsc1 240690a_100000758718_100015343762 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.54 CC(=O)NCC(O)c1ccsc1 527a_100000758718_100103153847 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.54 CC(=O)NN=C(C)c1c[nH]cn1 4a_100000189765_100011246050 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.54 CC(=O)NN=C(C)c1cc[nH]c1 4a_100000189765_100000753940 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.54 CC(=O)NN=C(C)c1cocn1 4a_100000189765_100009869376 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.54 CC(=O)NN=C(C)c1cscn1 4a_100000189765_100000693406 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.54 CC(=O)NNC(=O)c1cscn1 22a_100011794543_100000070787 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.105 C=C(C)CCSc1c[nH]c(n1)C 62a_100000730704_100009814057 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.105 C=C(C)CCSc1c[nH]c(n1)C 62a_100009814057_100000730704 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000040308_100000730704 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.105 C=C(C)CCSc1cn(cn1)C 62a_100000730704_100000040308 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000210245_100000717665 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.105 C=C(C)COCc1cn(cn1)C 34a_100000710007_100000748629 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000717665_100000211660 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.105 C=C(C)CSCc1cn(cn1)C 62a_100000748629_100000717665 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.105 CC(=CCSc1c[nH]c(n1)C)C 62a_100000761012_100009814057 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.105 CC(=CCSc1c[nH]c(n1)C)C 62a_100009814057_100000761012 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.105 CC(=CCSc1cn(cn1)C)C 62a_100000040308_100000761012 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.105 CC(=CCSc1cn(cn1)C)C 62a_100000761012_100000040308 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.105 CC(=O)CCCc1noc(n1)C 270196a_200000032708_100000070787 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.105 CC(=O)CCCc1noc(n1)O 270196a_200000032708_100015183105 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.105 CC(=O)CCCn1cc(cn1)C 1458a_100000070787_200015186932 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100000053229_100009814057 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000053229 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000040308_100000053229 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000053229_100000040308 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000053229_100000760339 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.105 CC(=O)CCSc1cn(nn1)C 62a_100000760339_100000053229 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100000053229_100011934587 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100011934587_100000053229 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100000053229_100011998049 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100011998049_100000053229 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.105 CC(=O)CCSc1n[nH]c(n1)C 62a_100000053229_100000732540 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.105 CC(=O)CCSc1n[nH]c(n1)C 62a_100000732540_100000053229 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.105 CC(=O)CCSc1n[nH]c(n1)N 62a_100000053229_100015184587 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.105 CC(=O)CCSc1n[nH]c(n1)N 62a_100015184587_100000053229 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100000053229_100009819955 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.105 CC(=O)CCSc1ncn(n1)C 62a_100009819955_100000053229 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.105 CC(=O)COCc1csc(n1)C 34a_100000211253_100015186478 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.105 CC(=O)COCc1csc(n1)Cl 34a_100000211253_100000024076 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.105 CC(=O)COCc1ncn(n1)C 34a_100000211253_100016995526 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.105 CC(=O)CSCc1csc(n1)C 1458a_100000150240_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.105 CC(=O)NCCN1CNC(=O)C1 2230a_200000708111_100000189650 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.105 CC(=O)NCCc1cn(cn1)C 11a_106430523030_100015343762 [0,1,0,0,0,0|0,0,0]=1 363 B12R1.105 CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100015343762 [0,1,0,0,0,0|0,0,0]=1 364 B12R1.105 CC(=O)NCCc1cn(cn1)C 240690a_106430523030_100015343762 [0,1,0,0,0,0|0,0,0]=1 365 B12R1.105 CC(=O)NCCc1cn(cn1)C 527a_106430523030_100103153847 [0,1,0,0,0,0|0,0,0]=1 366 B12R1.105 CC(=O)NCCc1csc(n1)C 1626a_102495365028_100015343762 [0,1,0,0,0,0|1,0,0]=2 367 B12R1.105 CC(=O)NCCc1csc(n1)C 240690a_102495365028_100015343762 [0,1,0,0,0,0|1,0,0]=2 368 B12R1.105 CC(=O)NCCc1csc(n1)C 527a_102495365028_100103153847 [0,1,0,0,0,0|1,0,0]=2 369 B12R1.105 CC(=O)NCCc1nc(cs1)C 11a_100000736835_100015343762 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.105 CC(=O)NCCc1nc(cs1)C 1626a_100000736835_100015343762 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.105 CC(=O)NCCc1nc(cs1)C 240690a_100000736835_100015343762 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.105 CC(=O)NCCc1nc(cs1)C 527a_100000736835_100103153847 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.105 CC(=O)NCCc1nc(no1)C 11a_100000747544_100015343762 [0,1,0,0,0,0|1,0,1]=3 374 B12R1.105 CC(=O)NCCc1nc(no1)C 240690a_100000747544_100015343762 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.105 CC(=O)NCCc1nc(no1)C 270196a_100000212224_100000183196 [0,1,0,0,0,0|1,0,1]=3 376 B12R1.105 CC(=O)NCCc1nc(no1)C 527a_100000747544_100103153847 [0,1,0,0,0,0|1,0,1]=3 377 B12R1.105 CC(=O)NCCc1ncn(n1)C 11a_100103148823_100015343762 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.105 CC(=O)NCCc1ncn(n1)C 240690a_100103148823_100015343762 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.105 CC(=O)NCCc1ncn(n1)C 527a_100103148823_100103153847 [0,1,0,0,0,0|1,0,0]=2 380 B12R1.105 CC(=O)NCCc1nnc(s1)C 11a_100000733084_100015343762 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.105 CC(=O)NCCc1nnc(s1)C 1626a_100000733084_100015343762 [0,1,0,0,0,0|2,0,1]=4 382 B12R1.105 CC(=O)NCCc1nnc(s1)C 240690a_100000733084_100015343762 [0,1,0,0,0,0|2,0,1]=4 383 B12R1.105 CC(=O)NCCc1nnc(s1)C 527a_100000733084_100103153847 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.105 CC(=O)NCCn1cc(cn1)Br 11a_100000730845_100015343762 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.105 CC(=O)NCCn1cc(cn1)Br 240690a_100000730845_100015343762 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.105 CC(=O)NCCn1cc(cn1)Br 527a_100000730845_100103153847 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 11a_200000238484_100015343762 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 1626a_200000238484_100015343762 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 240690a_200000238484_100015343762 [0,1,0,0,0,0|2,0,0]=3 390 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 527a_200000238484_100103153847 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.105 CC(=O)NCCn1cc(cn1)I 11a_100000721286_100015343762 [0,1,0,0,0,0|2,0,0]=3 392 B12R1.105 CC(=O)NCCn1cc(cn1)I 1626a_100000721286_100015343762 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.105 CC(=O)NCCn1cc(cn1)I 240690a_100000721286_100015343762 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.105 CC(=O)NCCn1cc(cn1)I 527a_100000721286_100103153847 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.105 CC(=O)NCCn1cc(nn1)C 274090a_100000189650_200000242740 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.105 CC(=O)NN=Cc1c[nH]c(c1)Br 4a_100000189765_100009882863 [0,1,0,0,0,0|2,0,1]=4 397 B12R1.105 CC(=O)NN=Cc1c[nH]c(n1)C 4a_100000189765_100011219055 [0,1,0,0,0,0|1,0,1]=3 398 B12R1.105 CC(=O)NN=Cc1ccn(c1)C 4a_100000189765_100000765639 [0,1,0,0,0,0|2,0,1]=4 399 B12R1.105 CC(=O)NN=Cc1cn(cn1)C 4a_100000189765_100000684808 [0,1,0,0,0,0|1,0,1]=3 400 B12R1.105 CC(=O)NN=Cc1cn(nn1)C 4a_100000189765_100000749909 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.105 CC(=O)NN=Cc1coc(n1)C 4a_100000189765_100011361629 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.105 CC(=O)NN=Cc1csc(n1)Br 4a_100000189765_100009816748 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.105 CC(=O)NN=Cc1csc(n1)C 4a_100000189765_100000203724 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.105 CC(=O)NN=Cc1csc(n1)Cl 4a_100000189765_100011935135 [0,1,0,0,0,0|2,0,1]=4 405 B12R1.105 CC(=O)NN=Cc1ncn(n1)C 4a_100000189765_100010630104 [0,1,0,0,0,0|2,0,1]=4 406 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100000076356_100009814057 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100009814057_100000076356 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000040308_100000076356 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000076356_100000040308 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.105 CC(=O)OCSc1cn(nn1)C 62a_100000076356_100000760339 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.105 CC(=O)OCSc1cn(nn1)C 62a_100000760339_100000076356 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.105 CC(=O)OCSc1csc(n1)C 62a_100000076356_100011934587 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.105 CC(=O)OCSc1csc(n1)C 62a_100011934587_100000076356 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.105 CC(=O)OCSc1csc(n1)N 62a_100000076356_100011998049 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.105 CC(=O)OCSc1csc(n1)N 62a_100011998049_100000076356 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.105 CC(=O)OCSc1n[nH]c(n1)C 62a_100000076356_100000732540 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.105 CC(=O)OCSc1n[nH]c(n1)C 62a_100000732540_100000076356 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.105 CC(=O)OCSc1n[nH]c(n1)N 62a_100000076356_100015184587 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.105 CC(=O)OCSc1n[nH]c(n1)N 62a_100015184587_100000076356 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.105 CC(=O)OCSc1ncn(n1)C 62a_100000076356_100009819955 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.105 CC(=O)OCSc1ncn(n1)C 62a_100009819955_100000076356 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.105 CC(=O)SCCc1nc(no1)C 270196a_100000212224_100000048949 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.105 Cc1nc(c[nH]1)SCCC(=O)N 62a_100000744528_100009814057 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.105 Cc1nc(c[nH]1)SCCC(=O)N 62a_100009814057_100000744528 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.105 Cc1nc(cs1)CCNC(C)C 2230a_100138425928_100000695623 [0,1,0,0,0,0|2,0,1]=4 426 B12R1.105 Cc1nc(cs1)CCNC(C)C 2230a_102495365028_100000210206 [0,1,0,0,0,0|2,0,1]=4 427 B12R1.105 Cc1nc(cs1)CCNC(C)C 34a_100138425928_100000695623 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.105 Cc1nc(cs1)CCNC(C)C 34a_102495365028_100000210206 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.105 Cc1nc(cs1)CSCC(=O)[13CH3] 1458a_100000150240_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.105 Cc1noc(n1)CCNC(=O)N 270196a_100000212224_100000181464 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.105 Cn1cc(nn1)CCCC(=O)O 274090a_200000210301_100000690238 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.105 Cn1cnc(c1)CNCC(=O)N 2230a_100000711301_100000717665 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.105 Cn1cnc(c1)CNCC(=O)O 269956a_100016091260_100000717665 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.105 Cn1cnc(c1)COCC(=O)N 34a_100000710007_100000187820 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.105 Cn1cnc(c1)COCC(=O)[O-] 34a_100000710007_100020667443 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000717665_100000747473 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.105 Cn1cnc(c1)CSCC(=O)N 62a_100000747473_100000717665 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100000717665_100020667443 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.105 Cn1cnc(c1)CSCC(=O)[O-] 62a_100020667443_100000717665 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000040308_100000744528 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.105 Cn1cnc(c1)SCCC(=O)N 62a_100000744528_100000040308 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.105 [13CH3]n1cc(nn1)CCCC(=O)O 274090a_200025704644_100000690238 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.130 C=C(C)CCSc1nc[nH]c1C 62a_100000730704_100010186451 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.130 C=C(C)CCSc1nc[nH]c1C 62a_100010186451_100000730704 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000748629_100000751220 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.130 C=C(C)CSCc1nc[nH]c1C 62a_100000751220_100000211660 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.130 CC(=CCSc1nc[nH]c1C)C 62a_100000761012_100010186451 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.130 CC(=CCSc1nc[nH]c1C)C 62a_100010186451_100000761012 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100000053229_100010186451 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000053229 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000053229_100000732656 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000732656_100000053229 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.130 CC(=O)NCCN1CCNC1=O 11a_100011207550_100015343762 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.130 CC(=O)NCCN1CCNC1=O 1626a_100011207550_100015343762 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.130 CC(=O)NCCN1CCNC1=O 240690a_100011207550_100015343762 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.130 CC(=O)NCCN1CCNC1=O 527a_100011207550_100103153847 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,1,0,0,0,0|1,0,1]=3 459 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,1,0,0,0,0|1,0,1]=3 460 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,1,0,0,0,0|1,0,1]=3 461 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,1,0,0,0,0|1,0,1]=3 462 B12R1.130 CC(=O)NCCc1nccn1C 11a_100015187083_100015343762 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.130 CC(=O)NCCc1nccn1C 240690a_100015187083_100015343762 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.130 CC(=O)NCCc1nccn1C 527a_100015187083_100103153847 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.130 CC(=O)NCCc1ncnn1C 11a_100000686402_100015343762 [0,1,0,0,0,0|1,0,1]=3 466 B12R1.130 CC(=O)NCCc1ncnn1C 240690a_100000686402_100015343762 [0,1,0,0,0,0|1,0,1]=3 467 B12R1.130 CC(=O)NCCc1ncnn1C 527a_100000686402_100103153847 [0,1,0,0,0,0|1,0,1]=3 468 B12R1.130 CC(=O)NCCc1nncn1C 11a_100000752238_100015343762 [0,1,0,0,0,0|1,0,2]=4 469 B12R1.130 CC(=O)NCCc1nncn1C 240690a_100000752238_100015343762 [0,1,0,0,0,0|1,0,2]=4 470 B12R1.130 CC(=O)NCCc1nncn1C 527a_100000752238_100103153847 [0,1,0,0,0,0|1,0,2]=4 471 B12R1.130 CC(=O)NCCc1scnc1C 11a_100000238517_100015343762 [0,1,0,0,0,0|1,0,1]=3 472 B12R1.130 CC(=O)NCCc1scnc1C 1626a_100000238517_100015343762 [0,1,0,0,0,0|1,0,1]=3 473 B12R1.130 CC(=O)NCCc1scnc1C 240690a_100000238517_100015343762 [0,1,0,0,0,0|1,0,1]=3 474 B12R1.130 CC(=O)NCCc1scnc1C 527a_100000238517_100103153847 [0,1,0,0,0,0|1,0,1]=3 475 B12R1.130 CC(=O)NCCn1ccnc1C 11a_100015184736_100015343762 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.130 CC(=O)NCCn1ccnc1C 1626a_100015184736_100015343762 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.130 CC(=O)NCCn1ccnc1C 240690a_100015184736_100015343762 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.130 CC(=O)NCCn1ccnc1C 527a_100015184736_100103153847 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.130 CC(=O)NN=Cc1nc[nH]c1Br 4a_100000189765_100015192532 [0,1,0,0,0,0|1,0,1]=3 480 B12R1.130 CC(=O)NN=Cc1nc[nH]c1C 4a_100000189765_100000032982 [0,1,0,0,0,0|1,0,1]=3 481 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000076356_100000732656 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000732656_100000076356 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.130 Cc1[nH]cnc1CNCC(=O)N 2230a_100000711301_100000751220 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.130 Cc1[nH]cnc1CNCC(=O)O 269956a_100016091260_100000751220 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000747473_100000751220 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.130 Cc1[nH]cnc1CSCC(=O)N 62a_100000751220_100000747473 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100000751220_100020667443 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.130 Cc1[nH]cnc1CSCC(=O)[O-] 62a_100020667443_100000751220 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.130 Cc1[nH]cnc1SCCC(=O)N 62a_100000744528_100010186451 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.130 Cc1[nH]cnc1SCCC(=O)N 62a_100010186451_100000744528 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.260 C=C(C)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000748629 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.260 C=C(C)CN(C)Cc1c[nH]cn1 2230a_100000225649_100000707719 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.260 C=C(C)CN(C)Cc1c[nH]cn1 269982a_100000225649_100000707719 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)C 1458a_100000211388_100000707719 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)Cl 1458a_200042562850_100000707719 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.260 CC(=CC(=O)Cc1c[nH]cn1)I 1458a_100025716642_100000707719 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 500 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.260 CC(=O)NC(C)Cc1ccsc1 11a_100000743546_100015343762 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.260 CC(=O)NC(C)Cc1ccsc1 1626a_100000743546_100015343762 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.260 CC(=O)NC(C)Cc1ccsc1 240690a_100000743546_100015343762 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.260 CC(=O)NC(C)Cc1ccsc1 527a_100000743546_100103153847 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.260 CC(=O)NC(C)Cn1cccn1 11a_100000738251_100015343762 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.260 CC(=O)NC(C)Cn1cccn1 1626a_100000738251_100015343762 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.260 CC(=O)NC(C)Cn1cccn1 240690a_100000738251_100015343762 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.260 CC(=O)NC(C)Cn1cccn1 527a_100000738251_100103153847 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.260 CC(=O)NC(C)Cn1cncn1 11a_100011201177_100015343762 [0,1,0,0,0,0|1,0,1]=3 512 B12R1.260 CC(=O)NC(C)Cn1cncn1 1626a_100011201177_100015343762 [0,1,0,0,0,0|1,0,1]=3 513 B12R1.260 CC(=O)NC(C)Cn1cncn1 240690a_100011201177_100015343762 [0,1,0,0,0,0|1,0,1]=3 514 B12R1.260 CC(=O)NC(C)Cn1cncn1 527a_100011201177_100103153847 [0,1,0,0,0,0|1,0,1]=3 515 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100000756875_100009818208 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100009818208_100000756875 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.260 CC(=O)OC(C)Sc1c[nH]nn1 62a_100009818208_100009819707 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.260 CC(=O)OC(C)Sc1c[nH]nn1 62a_100009819707_100009818208 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.260 CC(=O)OC(C)Sc1cscn1 62a_100000751502_100009818208 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.260 CC(=O)OC(C)Sc1cscn1 62a_100009818208_100000751502 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.260 CC(=O)OC(C)Sc1nc[nH]n1 62a_100000761765_100009818208 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.260 CC(=O)OC(C)Sc1nc[nH]n1 62a_100009818208_100000761765 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.260 CC(C)NC(=O)Cc1c[nH]cn1 240690a_100138425928_100015291406 [0,1,0,0,0,0|1,0,2]=4 524 B12R1.260 CN(CC(=O)N)Cc1c[nH]cn1 2230a_100000739694_100000707719 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.260 CN(CC(=O)O)Cc1c[nH]cn1 269956a_100000746989_100000707719 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000187820 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.260 NC(=O)CC(=O)Cc1c[nH]cn1 1458a_100134613110_100000707719 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.260 O=C([O-])CC(=O)Cc1c[nH]cn1 1458a_100015291406_100020667443 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.264 C=C(C)C(=O)CCc1c[nH]cn1 1458a_100000185857_100020628418 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.264 C=C(C)C(=O)NCc1c[nH]cn1 11a_100000758547_100000185857 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100000756875_100011261029 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.264 CC(=O)C(=O)CSc1c[nH]cn1 62a_100011261029_100000756875 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.264 CC(=O)C(=O)CSc1c[nH]nn1 62a_100009819707_100011261029 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.264 CC(=O)C(=O)CSc1c[nH]nn1 62a_100011261029_100009819707 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.264 CC(=O)C(=O)CSc1cscn1 62a_100000751502_100011261029 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.264 CC(=O)C(=O)CSc1cscn1 62a_100011261029_100000751502 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.264 CC(=O)C(=O)CSc1nc[nH]n1 62a_100000761765_100011261029 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.264 CC(=O)C(=O)CSc1nc[nH]n1 62a_100011261029_100000761765 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.264 CC(=O)C(C)NCc1cscn1 2230a_100015185402_100009814033 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.264 CC(=O)C(C)OCc1cscn1 34a_100000212229_100000205941 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100009814033 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100009814033_100000707719 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100000205941_100009814033 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100009814033_100000205941 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.264 CC(C)C(=O)CCc1c[nH]cn1 1458a_100000210198_100020628418 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.264 CC(C)N(C)CCc1c[nH]cn1 269982a_200000211004_100020628418 [0,1,0,0,0,0|1,0,1]=3 548 B12R1.264 CC(F)C(=O)CCc1c[nH]cn1 1458a_100000062450_100020628418 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000702099_100000707719 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.264 CC(SCc1c[nH]cn1)C(=O)N 62a_100000707719_100000702099 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.264 CN(C)C(=O)CCc1c[nH]cn1 271570a_200010232142_100000756875 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 2230a_100000119354_100000707719 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.264 C[C@@H](NCc1c[nH]cn1)C(=O)N 34a_100000119354_100000707719 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.264 C[C@@H](O)C(=O)CCc1c[nH]cn1 1458a_100000717761_100020628418 [0,1,0,0,0,0|1,0,2]=4 555 B12R1.264 C[C@@H](OCc1c[nH]cn1)C(=O)N 34a_100000731257_100000707719 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.264 C[C@H](O)C(=O)CCc1c[nH]cn1 1458a_217856618621_100020628418 [0,1,0,0,0,0|1,0,2]=4 558 B12R1.264 NC(=O)C(=O)NCc1c[nH]cn1 240690a_100000758547_100011215815 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813875 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.264 NC(=O)C(F)SCc1c[nH]cn1 62a_100009813875_100000707719 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100000707719_100020610796 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.264 O=C([O-])C(F)SCc1c[nH]cn1 62a_100020610796_100000707719 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.477 C#CC(C)NCCc1c[nH]cn1 2230a_100000707721_100020628418 [0,1,0,0,0,0|1,0,1]=3 564 B12R1.477 C#CC(C)SCCc1c[nH]cn1 62a_200000035995_100020628418 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.477 C#C[C@@H](C)OCCc1c[nH]cn1 7a_100009815206_100020628418 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.477 C=CC(=O)NCCc1cccs1 1626a_100000203755_100000185746 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.477 C=CC(=O)NCCc1cccs1 240690a_100000203755_200121576911 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.477 C=CC(=O)NCCc1ccsc1 1626a_100000692642_100000185746 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.477 C=CC(=O)NCCc1ccsc1 240690a_100000692642_200121576911 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.477 C=CC(=O)NCCc1cn[nH]c1 240690a_100000732747_200121576911 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.477 C=CC(=O)NCCc1cncs1 1626a_100016991637_100000185746 [0,1,0,0,0,0|1,0,2]=4 574 B12R1.477 C=CC(=O)NCCc1cncs1 240690a_100016991637_200121576911 [0,1,0,0,0,0|1,0,2]=4 575 B12R1.477 C=CC(=O)NCCc1ncc[nH]1 240690a_100000754300_200121576911 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.477 C=CC(=O)NCCc1nccs1 1626a_100015186391_100000185746 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.477 C=CC(=O)NCCc1nccs1 240690a_100015186391_200121576911 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.477 C=CC(=O)NCCn1cccn1 240690a_100011200920_200121576911 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.477 C=CC(=O)NCCn1cncn1 240690a_200000738561_200121576911 [0,1,0,0,0,0|1,0,2]=4 580 B12R1.477 C=CC(C)SCCc1c[nH]cn1 62a_100011215867_100020628418 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.477 CC(C#N)NCCc1c[nH]cn1 2230a_100000737613_100020628418 [0,1,0,0,0,0|1,0,1]=3 582 B12R1.477 CC(C#N)SCCc1c[nH]cn1 62a_100000703298_100020628418 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.477 CC(C#N)SCCc1c[nH]cn1 62a_100020628418_100000703298 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.477 CC(CF)OCCc1c[nH]cn1 7a_100016041109_100020628418 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.477 CC(CO)SCCc1c[nH]cn1 62a_100012180447_100020628418 [0,1,0,0,0,0|1,0,2]=4 586 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.477 CCC(=O)CCCn1cncn1 1458a_100000210414_100102700105 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.477 CCC(=O)CCCn1cncn1 1458a_100015186313_100000210202 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.477 CCC(=O)COCc1c[nH]cn1 34a_100000725409_100000707719 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.477 CCC(=O)COCc1cscn1 34a_100000725409_100000205941 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747405 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000747405_100000707719 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000205941_100000747405 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000747405_100000205941 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.477 CCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210414 [0,1,0,0,0,0|0,0,0]=1 599 B12R1.477 CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210414 [0,1,0,0,0,0|0,0,0]=1 600 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.477 CCC(=O)NCCc1ccsc1 11a_100000692642_100000210414 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.477 CCC(=O)NCCc1ccsc1 1626a_100000692642_100000210414 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.477 CCC(=O)NCCc1ccsc1 240690a_100000692642_100000210414 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.477 CCC(=O)NCCc1ccsc1 527a_100000692642_100000210414 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.477 CCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000210414 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.477 CCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000210414 [0,1,0,0,0,0|2,0,0]=3 614 B12R1.477 CCC(=O)NCCc1cncs1 11a_100016991637_100000210414 [0,1,0,0,0,0|1,0,1]=3 615 B12R1.477 CCC(=O)NCCc1cncs1 1626a_100016991637_100000210414 [0,1,0,0,0,0|1,0,1]=3 616 B12R1.477 CCC(=O)NCCc1cncs1 240690a_100016991637_100000210414 [0,1,0,0,0,0|1,0,1]=3 617 B12R1.477 CCC(=O)NCCc1cncs1 527a_100016991637_100000210414 [0,1,0,0,0,0|1,0,1]=3 618 B12R1.477 CCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000210414 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.477 CCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000210414 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.477 CCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000210414 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.477 CCC(=O)NCCc1nccs1 11a_100015186391_100000210414 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.477 CCC(=O)NCCc1nccs1 1626a_100015186391_100000210414 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.477 CCC(=O)NCCc1nccs1 240690a_100015186391_100000210414 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.477 CCC(=O)NCCc1nccs1 527a_100015186391_100000210414 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.477 CCC(=O)NCCn1cccc1 11a_100011368172_100000210414 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.477 CCC(=O)NCCn1cccc1 240690a_100011368172_100000210414 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.477 CCC(=O)NCCn1cccc1 527a_100011368172_100000210414 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.477 CCC(=O)NCCn1cccn1 11a_100011200920_100000210414 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.477 CCC(=O)NCCn1cccn1 240690a_100011200920_100000210414 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.477 CCC(=O)NCCn1cccn1 527a_100011200920_100000210414 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.477 CCC(=O)NCCn1ccnc1 11a_100000230061_100000210414 [0,1,0,0,0,0|2,0,1]=4 632 B12R1.477 CCC(=O)NCCn1ccnc1 240690a_100000230061_100000210414 [0,1,0,0,0,0|2,0,1]=4 633 B12R1.477 CCC(=O)NCCn1ccnc1 527a_100000230061_100000210414 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.477 CCC(=O)NCCn1cncn1 11a_200000738561_100000210414 [0,1,0,0,0,0|1,0,1]=3 635 B12R1.477 CCC(=O)NCCn1cncn1 240690a_200000738561_100000210414 [0,1,0,0,0,0|1,0,1]=3 636 B12R1.477 CCC(=O)NN=Cc1cc[nH]c1 4a_100000183195_100000760201 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.477 CCC(=O)NN=Cc1cocn1 4a_100000183195_100000050382 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.477 CCC(=O)NN=Cc1cscn1 4a_100000183195_100000743575 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.477 CCC(C)NCCc1c[nH]cn1 2230a_100000209981_100020628418 [0,1,0,0,0,0|1,0,1]=3 640 B12R1.477 CCC(C)OCCc1c[nH]cn1 7a_100000210228_100020628418 [0,1,0,0,0,0|2,0,1]=4 641 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100000758301_100020628418 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.477 CCC(C)SCCc1c[nH]cn1 62a_100020628418_100000758301 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.477 CNC(=O)CCCn1cccn1 11a_106832991635_100000742828 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.477 CNC(=O)CCCn1cccn1 1626a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.477 CNC(=O)CCCn1cccn1 240690a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.477 CNC(=O)CCCn1cccn1 527a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.477 CNC(=O)CCCn1cncn1 11a_106832991635_100015186313 [0,1,0,0,0,0|2,0,1]=4 652 B12R1.477 CNC(=O)CCCn1cncn1 1626a_100102657272_100015186313 [0,1,0,0,0,0|2,0,1]=4 653 B12R1.477 CNC(=O)CCCn1cncn1 240690a_100102657272_100015186313 [0,1,0,0,0,0|2,0,1]=4 654 B12R1.477 CNC(=O)CCCn1cncn1 527a_100102657272_100015186313 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000737683_100000756875 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737683 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.477 CNC(=O)CCSc1c[nH]nn1 62a_100000737683_100009819707 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.477 CNC(=O)CCSc1c[nH]nn1 62a_100009819707_100000737683 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000737683_100000751502 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000751502_100000737683 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.477 CNC(=O)CCSc1nc[nH]n1 62a_100000737683_100000761765 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.477 CNC(=O)CCSc1nc[nH]n1 62a_100000761765_100000737683 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.477 CNC(=O)CNCc1c[nH]cn1 2230a_100000693194_100000707719 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.477 CNC(=O)CNCc1cocn1 270004a_100000693194_100000050382 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.477 CNC(=O)CNCc1cscn1 207a_100000693194_100000743575 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100000693194_100000205941 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100015185402_100000183359 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.477 CNC(=O)CNCc1cscn1 270004a_100000693194_100000743575 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.477 CNC(=O)COCc1c[nH]cn1 34a_100000750040_100000707719 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.477 CNC(=O)COCc1cscn1 34a_100000750040_100000205941 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000183359_100000707719 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183359 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000183359_100000205941 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000205941_100000183359 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100000755092_106832991635 [0,1,0,0,0,0|0,0,0]=1 676 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100102657272_100000755092 [0,1,0,0,0,0|0,0,0]=1 677 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100102657272 [0,1,0,0,0,0|0,0,0]=1 678 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100102657272_100000755092 [0,1,0,0,0,0|0,0,0]=1 679 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_100000755092_100102657272 [0,1,0,0,0,0|0,0,0]=1 680 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_106832991638_100000755092 [0,1,0,0,0,0|0,0,0]=1 681 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,0|2,0,0]=3 684 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,1,0,0,0,0|2,0,0]=3 690 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.477 CNC(=O)NCCc1ccsc1 2708a_100000692642_106832991635 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.477 CNC(=O)NCCc1ccsc1 2708a_100102657272_100000692642 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.477 CNC(=O)NCCc1ccsc1 273464a_100000692642_100102657272 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.477 CNC(=O)NCCc1ccsc1 273464a_100102657272_100000692642 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.477 CNC(=O)NCCc1ccsc1 512a_100000692642_100102657272 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.477 CNC(=O)NCCc1ccsc1 512a_106832991638_100000692642 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.477 CNC(=O)NCCc1cn[nH]c1 2708a_100000732747_106832991635 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.477 CNC(=O)NCCc1cn[nH]c1 2708a_100102657272_100000732747 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.477 CNC(=O)NCCc1cn[nH]c1 273464a_100000732747_100102657272 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.477 CNC(=O)NCCc1cn[nH]c1 273464a_100102657272_100000732747 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.477 CNC(=O)NCCc1cn[nH]c1 512a_100000732747_100102657272 [0,1,0,0,0,0|2,0,0]=3 703 B12R1.477 CNC(=O)NCCc1cn[nH]c1 512a_106832991638_100000732747 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100016991637_106832991635 [0,1,0,0,0,0|1,0,1]=3 705 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100102657272_100016991637 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100016991637_100102657272 [0,1,0,0,0,0|1,0,1]=3 707 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100102657272_100016991637 [0,1,0,0,0,0|1,0,1]=3 708 B12R1.477 CNC(=O)NCCc1cncs1 512a_100016991637_100102657272 [0,1,0,0,0,0|1,0,1]=3 709 B12R1.477 CNC(=O)NCCc1cncs1 512a_106832991638_100016991637 [0,1,0,0,0,0|1,0,1]=3 710 B12R1.477 CNC(=O)NCCc1ncc[nH]1 2708a_100000754300_106832991635 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.477 CNC(=O)NCCc1ncc[nH]1 2708a_100102657272_100000754300 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.477 CNC(=O)NCCc1ncc[nH]1 273464a_100000754300_100102657272 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.477 CNC(=O)NCCc1ncc[nH]1 273464a_100102657272_100000754300 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.477 CNC(=O)NCCc1ncc[nH]1 512a_100000754300_100102657272 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.477 CNC(=O)NCCc1ncc[nH]1 512a_106832991638_100000754300 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100015186391_106832991635 [0,1,0,0,0,0|2,0,0]=3 717 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100102657272_100015186391 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100015186391_100102657272 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100102657272_100015186391 [0,1,0,0,0,0|2,0,0]=3 720 B12R1.477 CNC(=O)NCCc1nccs1 512a_100015186391_100102657272 [0,1,0,0,0,0|2,0,0]=3 721 B12R1.477 CNC(=O)NCCc1nccs1 512a_106832991638_100015186391 [0,1,0,0,0,0|2,0,0]=3 722 B12R1.477 CNC(=O)NCCc1nnn[nH]1 2708a_100000752300_106832991635 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.477 CNC(=O)NCCc1nnn[nH]1 2708a_100102657272_100000752300 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.477 CNC(=O)NCCc1nnn[nH]1 273464a_100000752300_100102657272 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.477 CNC(=O)NCCc1nnn[nH]1 273464a_100102657272_100000752300 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.477 CNC(=O)NCCc1nnn[nH]1 512a_100000752300_100102657272 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.477 CNC(=O)NCCc1nnn[nH]1 512a_106832991638_100000752300 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.477 CNC(=O)NCCn1cccc1 2708a_100011368172_106832991635 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.477 CNC(=O)NCCn1cccc1 2708a_100102657272_100011368172 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.477 CNC(=O)NCCn1cccc1 273464a_100011368172_100102657272 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.477 CNC(=O)NCCn1cccc1 273464a_100102657272_100011368172 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.477 CNC(=O)NCCn1cccc1 512a_100011368172_100102657272 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.477 CNC(=O)NCCn1cccc1 512a_106832991638_100011368172 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.477 CNC(=O)NCCn1cccn1 2708a_100011200920_106832991635 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.477 CNC(=O)NCCn1cccn1 2708a_100102657272_100011200920 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.477 CNC(=O)NCCn1cccn1 273464a_100011200920_100102657272 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.477 CNC(=O)NCCn1cccn1 273464a_100102657272_100011200920 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.477 CNC(=O)NCCn1cccn1 512a_100011200920_100102657272 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.477 CNC(=O)NCCn1cccn1 512a_106832991638_100011200920 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.477 CNC(=O)NCCn1ccnc1 2708a_100000230061_106832991635 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.477 CNC(=O)NCCn1ccnc1 2708a_100102657272_100000230061 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.477 CNC(=O)NCCn1ccnc1 273464a_100000230061_100102657272 [0,1,0,0,0,0|2,0,1]=4 743 B12R1.477 CNC(=O)NCCn1ccnc1 273464a_100102657272_100000230061 [0,1,0,0,0,0|2,0,1]=4 744 B12R1.477 CNC(=O)NCCn1ccnc1 512a_100000230061_100102657272 [0,1,0,0,0,0|2,0,1]=4 745 B12R1.477 CNC(=O)NCCn1ccnc1 512a_106832991638_100000230061 [0,1,0,0,0,0|2,0,1]=4 746 B12R1.477 CNC(=O)NCCn1cncn1 2708a_100102657272_200000738561 [0,1,0,0,0,0|1,0,1]=3 747 B12R1.477 CNC(=O)NCCn1cncn1 2708a_200000738561_106832991635 [0,1,0,0,0,0|1,0,1]=3 748 B12R1.477 CNC(=O)NCCn1cncn1 273464a_100102657272_200000738561 [0,1,0,0,0,0|1,0,1]=3 749 B12R1.477 CNC(=O)NCCn1cncn1 273464a_200000738561_100102657272 [0,1,0,0,0,0|1,0,1]=3 750 B12R1.477 CNC(=O)NCCn1cncn1 512a_106832991638_200000738561 [0,1,0,0,0,0|1,0,1]=3 751 B12R1.477 CNC(=O)NCCn1cncn1 512a_200000738561_100102657272 [0,1,0,0,0,0|1,0,1]=3 752 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100000204255_100009819707 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100009819707_100000204255 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.477 COC(=O)CCSc1cscn1 62a_100000204255_100000751502 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.477 COC(=O)CCSc1cscn1 62a_100000751502_100000204255 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000204255_100000761765 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000761765_100000204255 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,0|2,0,0]=3 763 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.477 COC(=O)OCSc1c[nH]cn1 62a_100000756875_100000139417 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.477 COC(=O)OCSc1c[nH]nn1 62a_100009819707_100000139417 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.477 COC(=O)OCSc1cscn1 62a_100000751502_100000139417 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.477 COC(=O)OCSc1nc[nH]n1 62a_100000761765_100000139417 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100009879195_100020628418 [0,1,0,0,0,0|1,0,2]=4 770 B12R1.477 COC(C)SCCc1c[nH]cn1 62a_100020628418_100009879195 [0,1,0,0,0,0|1,0,2]=4 771 B12R1.477 C[C@H](CO)NCCc1c[nH]cn1 2230a_100000737577_100020628418 [0,1,0,0,0,0|0,0,2]=3 772 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100016084084_100020628418 [0,1,0,0,0,0|1,0,2]=4 773 B12R1.477 C[C@H](CO)SCCc1c[nH]cn1 62a_100020628418_100016084084 [0,1,0,0,0,0|1,0,2]=4 774 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.477 O=C(CF)CCCn1cccn1 1458a_100000742828_100015361967 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.477 O=C(CF)CCCn1cncn1 1458a_100015186313_100015361967 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.477 O=C(CO)CCCn1cncn1 1458a_100000210174_100102700105 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.477 O=C(CO)NCCc1c[nH]cn1 527a_100000755092_100000210174 [0,1,0,0,0,0|0,0,0]=1 781 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.477 O=C(CO)NCCc1ccsc1 240690a_100000692642_100000210174 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.477 O=C(CO)NCCc1ccsc1 527a_100000692642_100000210174 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.477 O=C(CO)NCCc1cn[nH]c1 240690a_100000732747_100000210174 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.477 O=C(CO)NCCc1cn[nH]c1 527a_100000732747_100000210174 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [0,1,0,0,0,0|1,0,1]=3 790 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [0,1,0,0,0,0|1,0,1]=3 791 B12R1.477 O=C(CO)NCCc1ncc[nH]1 240690a_100000754300_100000210174 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.477 O=C(CO)NCCc1ncc[nH]1 527a_100000754300_100000210174 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.477 O=C(CO)NCCc1nccs1 240690a_100015186391_100000210174 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.477 O=C(CO)NCCc1nccs1 527a_100015186391_100000210174 [0,1,0,0,0,0|2,0,0]=3 795 B12R1.477 O=C(CO)NCCn1cccc1 240690a_100011368172_100000210174 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.477 O=C(CO)NCCn1cccc1 527a_100011368172_100000210174 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.477 O=C(CO)NCCn1cccn1 240690a_100011200920_100000210174 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.477 O=C(CO)NCCn1cccn1 527a_100011200920_100000210174 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.477 O=C(CO)NCCn1ccnc1 240690a_100000230061_100000210174 [0,1,0,0,0,0|2,0,1]=4 800 B12R1.477 O=C(CO)NCCn1ccnc1 527a_100000230061_100000210174 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.477 O=C(CO)NCCn1cncn1 240690a_200000738561_100000210174 [0,1,0,0,0,0|1,0,1]=3 802 B12R1.890 CC(C)(C)NCCc1c[nH]cn1 2230a_100000715429_100020628418 [0,1,0,0,0,0|1,0,1]=3 803 B12R1.890 CC(C)(C)OCCc1c[nH]cn1 7a_100015890283_100020628418 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.890 CC(C)(C)SCCc1c[nH]cn1 62a_100000211941_100020628418 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.890 CC(C)(C)SCCc1c[nH]cn1 62a_100020628418_100000211941 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.890 CS(=O)(=O)CCSc1c[nH]cn1 62a_100000731031_100000756875 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.890 CS(=O)(=O)CCSc1c[nH]cn1 62a_100000756875_100000230027 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.890 CS(=O)(=O)NCCc1ccco1 40a_100000694680_100000738038 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.890 CS(=O)(=O)NCCc1cccs1 40a_100000203755_100000738038 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.890 CS(=O)(=O)NCCc1ccsc1 40a_100000692642_100000738038 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.890 CS(=O)(=O)NCCc1cn[nH]c1 40a_100000732747_100000738038 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.890 CS(=O)(=O)NCCc1cncs1 40a_100016991637_100000738038 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.890 CS(=O)(=O)NCCc1nccs1 40a_100015186391_100000738038 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.890 CS(=O)(=O)NCCn1cccn1 40a_100011200920_100000738038 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.890 CS(=O)(=O)NCCn1cncn1 40a_200000738561_100000738038 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,0,1,0,0,0|2,0,1]=4 817 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,0,1,0,0,0|2,0,1]=4 818 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,0,1,0,0,0|3,0,0]=4 819 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,0,1,0,0,0|3,0,0]=4 820 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,0,1,0,0,0|3,0,0]=4 821 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,0,1,0,0,0|2,0,1]=4 822 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,0,1,0,0,0|2,0,1]=4 823 B12R2.6 Cc1cc(n[nH]1)c2c[nH]cn2 271570a_100009872134_100000756875 [0,0,0,1,0,0|2,0,1]=4 824 B12R2.6 O=C1C=C(CC1)c2c[nH]cn2 271570a_100010737933_100000756875 [0,0,0,1,0,0|1,0,2]=4 825 B12R2.6 O=C1CN(CN1)c2ncns2 27a_200000708111_100000693119 [0,0,0,1,0,0|2,0,1]=4 826 B12R2.136 O=C1CC(C1)Sc2c[nH]cn2 62a_100009894365_100000756875 [0,0,0,1,0,0|2,0,0]=3 827 B12R2.136 O=C1CC(C1)Sc2c[nH]nn2 62a_100009894365_100009819707 [0,0,0,1,0,0|3,0,0]=4 828 B12R2.136 O=C1CC(C1)Sc2cscn2 62a_100009894365_100000751502 [0,0,0,1,0,0|3,0,0]=4 829 B12R2.136 O=C1CC(C1)Sc2nc[nH]n2 62a_100009894365_100000761765 [0,0,0,1,0,0|3,0,0]=4 830 B12R2.2383 c1nc(c[nH]1)CCSC2CC2 62a_100020628418_100000211595 [0,0,0,1,0,0|2,0,1]=4 831 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,1,0|2,0,0]=3 832 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,1,0|2,0,0]=3 833 B10R1.66 C=C(C)CSc1c[nH]nn1 62a_100000748629_100009819707 [0,0,0,0,1,0|3,0,0]=4 834 B10R1.66 C=C(C)CSc1c[nH]nn1 62a_100009819707_100000211660 [0,0,0,0,1,0|3,0,0]=4 835 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,1,0|3,0,0]=4 836 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,1,0|3,0,0]=4 837 B10R1.66 C=C(C)CSc1nc[nH]n1 62a_100000748629_100000761765 [0,0,0,0,1,0|3,0,0]=4 838 B10R1.66 C=C(C)CSc1nc[nH]n1 62a_100000761765_100000211660 [0,0,0,0,1,0|3,0,0]=4 839 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000042424_100000756875 [0,0,0,0,1,0|2,0,1]=4 840 B10R1.66 C=C(F)CSc1c[nH]cn1 62a_100000756875_100000042424 [0,0,0,0,1,0|2,0,1]=4 841 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,1,0|0,0,2]=3 842 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,1,0|1,0,2]=4 843 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,1,0|0,0,0]=1 844 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,1,0|1,0,0]=2 845 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,1,0|1,0,1]=3 846 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,1,0|2,0,0]=3 847 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,1,0|2,0,0]=3 848 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,1,0|2,0,0]=3 849 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,1,0|2,0,0]=3 850 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,1,0|2,0,0]=3 851 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,1,0|0,0,2]=3 852 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,1,0|1,0,1]=3 853 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,1,0|2,0,0]=3 854 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,1,0|2,0,0]=3 855 B10R1.66 CC(=O)CCc1nnn[nH]1 1458a_100000070787_100000031946 [0,0,0,0,1,0|2,0,1]=4 856 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,1,0|3,0,0]=4 857 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,1,0|3,0,0]=4 858 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,1,0|2,0,0]=3 859 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,1,0|2,0,0]=3 860 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,1,0|2,0,1]=4 861 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,1,0|2,0,1]=4 862 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,1,0|3,0,0]=4 863 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,1,0|1,0,1]=3 864 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,1,0|1,0,1]=3 865 B10R1.66 CC(=O)CCn1cnnn1 1458a_100000724085_200000210301 [0,0,0,0,1,0|2,0,1]=4 866 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,1,0|0,0,0]=1 867 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,1,0|0,0,0]=1 868 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,1,0|0,0,0]=1 869 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,1,0|1,0,0]=2 870 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,1,0|1,0,0]=2 871 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,1,0|1,0,0]=2 872 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,1,0|2,0,0]=3 873 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,1,0|2,0,0]=3 874 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,1,0|2,0,0]=3 875 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,1,0|1,0,1]=3 876 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,1,0|1,0,1]=3 877 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,1,0|1,0,1]=3 878 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,1,0|2,0,0]=3 879 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,1,0|2,0,0]=3 880 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,1,0|2,0,0]=3 881 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,1,0|2,0,0]=3 882 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 883 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 884 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 885 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,1,0|2,0,0]=3 886 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,1,0|2,0,0]=3 887 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,1,0|2,0,0]=3 888 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,1,0|2,0,0]=3 889 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,1,0|2,0,0]=3 890 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,1,0|2,0,0]=3 891 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,1,0|2,0,0]=3 892 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,1,0|2,0,0]=3 893 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,1,0|2,0,0]=3 894 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,1,0|2,0,0]=3 895 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,1,0|2,0,0]=3 896 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,1,0|2,0,0]=3 897 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,0,0,0,1,0|2,0,0]=3 898 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,0,0,0,1,0|2,0,0]=3 899 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,1,0|1,0,1]=3 900 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,1,0|1,0,1]=3 901 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,1,0|1,0,1]=3 902 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,1,0|1,0,1]=3 903 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,1,0|1,0,1]=3 904 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,1,0|1,0,1]=3 905 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [0,0,0,0,1,0|2,0,1]=4 906 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [0,0,0,0,1,0|2,0,1]=4 907 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,1,0|1,0,0]=2 908 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,1,0|1,0,0]=2 909 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,1,0|1,0,0]=2 910 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,1,0|1,0,0]=2 911 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,1,0|1,0,0]=2 912 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,1,0|1,0,0]=2 913 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,1,0|1,0,0]=2 914 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,1,0|2,0,0]=3 915 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,1,0|2,0,0]=3 916 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,1,0|2,0,0]=3 917 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 918 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 919 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,1,0|2,0,0]=3 920 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,1,0|2,0,0]=3 921 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,1,0|2,0,0]=3 922 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,1,0|2,0,0]=3 923 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,1,0|2,0,0]=3 924 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,1,0|2,0,0]=3 925 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,1,0|1,0,2]=4 926 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,1,0|1,0,2]=4 927 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,1,0|1,0,2]=4 928 B10R1.66 CC(=O)NCc1nnn[nH]1 240690a_100000739814_100015343762 [0,0,0,0,1,0|2,0,1]=4 929 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,1,0|3,0,0]=4 930 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000210624_100000756875 [0,0,0,0,1,0|2,0,1]=4 931 B10R1.66 CC(C)CSc1c[nH]cn1 62a_100000756875_100000210760 [0,0,0,0,1,0|2,0,1]=4 932 B10R1.66 CC(C)NCc1c[nH]cn1 2230a_100138425928_100000707719 [0,0,0,0,1,0|1,0,1]=3 933 B10R1.66 CC(C)NCc1c[nH]cn1 34a_100138425928_100000707719 [0,0,0,0,1,0|1,0,1]=3 934 B10R1.66 CC(C)NCc1cscn1 207a_100138425928_100000743575 [0,0,0,0,1,0|2,0,1]=4 935 B10R1.66 CC(C)NCc1cscn1 2230a_100015185402_100000210206 [0,0,0,0,1,0|2,0,1]=4 936 B10R1.66 CC(C)NCc1cscn1 2230a_100138425928_100000205941 [0,0,0,0,1,0|2,0,1]=4 937 B10R1.66 CC(C)NCc1cscn1 34a_100138425928_100000205941 [0,0,0,0,1,0|2,0,1]=4 938 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,0,0,0,1,0|2,0,1]=4 939 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000210206_100000707719 [0,0,0,0,1,0|2,0,1]=4 940 B10R1.66 CC(C)SCc1c[nH]cn1 62a_100000707719_100000210206 [0,0,0,0,1,0|2,0,1]=4 941 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100000756875_100011218427 [0,0,0,0,1,0|1,0,2]=4 942 B10R1.66 CC(O)CSc1c[nH]cn1 62a_100011218427_100000756875 [0,0,0,0,1,0|1,0,2]=4 943 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,0,0,0,1,0|2,0,0]=3 944 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,0,0,0,1,0|2,0,0]=3 945 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100000756875_100009817552 [0,0,0,0,1,0|1,0,2]=4 946 B10R1.66 C[C@@H](O)CSc1c[nH]cn1 62a_100009817552_100000756875 [0,0,0,0,1,0|1,0,2]=4 947 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,1,0|2,0,0]=3 948 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,1,0|2,0,0]=3 949 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100000747473_100009819707 [0,0,0,0,1,0|3,0,0]=4 950 B10R1.66 NC(=O)CSc1c[nH]nn1 62a_100009819707_100000747473 [0,0,0,0,1,0|3,0,0]=4 951 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,1,0|3,0,0]=4 952 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,1,0|3,0,0]=4 953 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000747473_100000761765 [0,0,0,0,1,0|3,0,0]=4 954 B10R1.66 NC(=O)CSc1nc[nH]n1 62a_100000761765_100000747473 [0,0,0,0,1,0|3,0,0]=4 955 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,1,0|2,0,0]=3 956 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,1,0|2,0,0]=3 957 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100009819707_100020667443 [0,0,0,0,1,0|3,0,0]=4 958 B10R1.66 O=C([O-])CSc1c[nH]nn1 62a_100020667443_100009819707 [0,0,0,0,1,0|3,0,0]=4 959 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,1,0|3,0,0]=4 960 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,1,0|3,0,0]=4 961 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100000761765_100020667443 [0,0,0,0,1,0|3,0,0]=4 962 B10R1.66 O=C([O-])CSc1nc[nH]n1 62a_100020667443_100000761765 [0,0,0,0,1,0|3,0,0]=4 963 B10R1.66 O=[N+]([O-])CSc1c[nH]cn1 62a_100000756875_100000761209 [0,0,0,0,1,0|3,0,0]=4 964 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,1,0|0,0,2]=3 965 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,1,0|1,0,2]=4 966 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,1,0|1,0,0]=2 967 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,1,0|1,0,1]=3 968 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,1,0|2,0,0]=3 969 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,1,0|2,0,0]=3 970 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,1,0|2,0,0]=3 971 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,1,0|0,0,2]=3 972 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,1,0|1,0,1]=3 973 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,1,0|2,0,0]=3 974 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,1,0|2,0,0]=3 975 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,1,0|3,0,0]=4 976 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,1,0|2,0,0]=3 977 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,1,0|2,0,1]=4 978 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,1,0|3,0,0]=4 979 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,1,0|1,0,1]=3 980 B10R1.66 [13CH3]C(=O)CCn1cnnn1 1458a_100000724085_200025704644 [0,0,0,0,1,0|2,0,1]=4 981 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|3,0,0]=4 982 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|3,0,0]=4 983 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,1|2,0,0]=3 984 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,1|2,0,1]=4 985 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,1|3,0,0]=4 986 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,1|2,0,1]=4 987 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,1|3,0,0]=4 988 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,1|3,0,0]=4 989 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,1|3,0,0]=4 990 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,1|3,0,0]=4 991 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,1|3,0,0]=4 992 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,1|3,0,0]=4 993 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,1|2,0,1]=4 994 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,1|2,0,1]=4 995 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,1|2,0,1]=4 996 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,1|2,0,1]=4 997 B12R1.252 CC(=O)CCSc1cncnc1 62a_100000053229_100011206942 [0,0,0,0,0,1|2,0,1]=4 998 B12R1.252 CC(=O)CCSc1cncnc1 62a_100011206942_100000053229 [0,0,0,0,0,1|2,0,1]=4 999 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,1|3,0,0]=4 1000 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,1|3,0,0]=4 1001 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,1|3,0,0]=4 1002 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,1|3,0,0]=4 1003 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,1|3,0,0]=4 1004 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,1|2,0,1]=4 1005 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,1|2,0,1]=4 1006 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,1|3,0,0]=4 1007 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,1|3,0,0]=4 1008 B12R1.252 CC(=O)NCCC1=CCCCC1 11a_100000212019_100015343762 [0,0,0,0,0,1|2,0,1]=4 1009 B12R1.252 CC(=O)NCCC1=CCCCC1 1626a_100000212019_100015343762 [0,0,0,0,0,1|2,0,1]=4 1010 B12R1.252 CC(=O)NCCC1=CCCCC1 240690a_100000212019_100015343762 [0,0,0,0,0,1|2,0,1]=4 1011 B12R1.252 CC(=O)NCCC1=CCCCC1 527a_100000212019_100103153847 [0,0,0,0,0,1|2,0,1]=4 1012 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 1013 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 1014 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 1015 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|2,0,0]=3 1016 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,1|1,0,0]=2 1017 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,1|1,0,0]=2 1018 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,1|1,0,0]=2 1019 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,1|1,0,0]=2 1020 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,1|1,0,0]=2 1021 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,1|1,0,0]=2 1022 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,1|1,0,0]=2 1023 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,1|1,0,0]=2 1024 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,1|1,0,1]=3 1025 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,1|1,0,1]=3 1026 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,1|1,0,1]=3 1027 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,1|1,0,1]=3 1028 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,1|0,0,1]=2 1029 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,1|0,0,1]=2 1030 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,1|0,0,1]=2 1031 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,1|0,0,1]=2 1032 B12R1.252 CC(=O)NN=Cc1ccccn1 4a_100000189765_100000209966 [0,0,0,0,0,1|2,0,1]=4 1033 B12R1.252 CC(=O)NN=Cc1cccnc1 4a_100000189765_100000209961 [0,0,0,0,0,1|2,0,1]=4 1034 B12R1.252 CC(=O)NN=Cc1ccncn1 4a_100000189765_100011744739 [0,0,0,0,0,1|1,0,2]=4 1035 B12R1.252 CC(=O)NN=Cc1cnccn1 4a_100000189765_100000749867 [0,0,0,0,0,1|1,0,2]=4 1036 B12R1.252 CC(=O)NN=Cc1cncnc1 4a_100000189765_100000749868 [0,0,0,0,0,1|1,0,2]=4 1037 B12R1.252 CC(=O)NN=Cc1ncccn1 4a_100000189765_100011532527 [0,0,0,0,0,1|2,0,1]=4 1038 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|3,0,0]=4 1039 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,1|2,0,0]=3 1040 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,1|2,0,0]=3 1041 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,1|2,0,1]=4 1042 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,1|3,0,0]=4 1043 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,1|3,0,0]=4 1044 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,1|3,0,0]=4 1045 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,1|3,0,0]=4 1046 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,1|3,0,0]=4 1047 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [0,0,0,0,0,1|3,0,0]=4 1048 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [0,0,0,0,0,1|3,0,0]=4 1049 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [0,0,0,0,0,1|2,0,1]=4 1050 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [0,0,0,0,0,1|2,0,1]=4 1051 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [0,0,0,0,0,1|2,0,1]=4 1052 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [0,0,0,0,0,1|2,0,1]=4 1053 B12R1.252 CC(=O)OCSc1cncnc1 62a_100000076356_100011206942 [0,0,0,0,0,1|2,0,1]=4 1054 B12R1.252 CC(=O)OCSc1cncnc1 62a_100011206942_100000076356 [0,0,0,0,0,1|2,0,1]=4 1055 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [0,0,0,0,0,1|3,0,0]=4 1056 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [0,0,0,0,0,1|3,0,0]=4 1057 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,0,0,0,0,1|2,0,1]=4 1058 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,0,0,0,0,1|2,0,1]=4 1059 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,0,0,0,0,1|2,0,1]=4 1060 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|3,0,0]=4 1061 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,1|2,0,0]=3 1062 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,1|2,0,1]=4 1063 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,1|3,0,0]=4 1064 B12R1.255 C=C(Br)CCOCc1c[nH]cn1 34a_100009813270_100000707719 [0,0,0,0,0,1|2,0,1]=4 1065 B12R1.255 C=C(C)CCNCc1cscn1 2230a_100015185402_100000730704 [0,0,0,0,0,1|3,0,0]=4 1066 B12R1.255 C=C(C)CCOCc1c[nH]cn1 34a_100000764851_100000707719 [0,0,0,0,0,1|2,0,0]=3 1067 B12R1.255 C=C(C)CCOCc1cscn1 34a_100000764851_100000205941 [0,0,0,0,0,1|3,0,0]=4 1068 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000707719_100000730704 [0,0,0,0,0,1|2,0,0]=3 1069 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000730704_100000707719 [0,0,0,0,0,1|2,0,0]=3 1070 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000205941_100000730704 [0,0,0,0,0,1|3,0,0]=4 1071 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000730704_100000205941 [0,0,0,0,0,1|3,0,0]=4 1072 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,0,0,0,0,1|3,0,0]=4 1073 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,0,0,0,0,1|3,0,0]=4 1074 B12R1.255 C=C(C)CNCCc1cccs1 2230a_100000203755_100000748629 [0,0,0,0,0,1|3,0,0]=4 1075 B12R1.255 C=C(C)CNCCc1cccs1 34a_100000203755_100000748629 [0,0,0,0,0,1|3,0,0]=4 1076 B12R1.255 C=C(C)CNCCc1ccsc1 2230a_100000692642_100000748629 [0,0,0,0,0,1|3,0,0]=4 1077 B12R1.255 C=C(C)CNCCc1ccsc1 34a_100000692642_100000748629 [0,0,0,0,0,1|3,0,0]=4 1078 B12R1.255 C=C(C)CNCCc1cn[nH]c1 2230a_100000732747_100000748629 [0,0,0,0,0,1|3,0,0]=4 1079 B12R1.255 C=C(C)CNCCc1cncs1 2230a_100016991637_100000748629 [0,0,0,0,0,1|2,0,1]=4 1080 B12R1.255 C=C(C)CNCCc1nccs1 2230a_100015186391_100000748629 [0,0,0,0,0,1|3,0,0]=4 1081 B12R1.255 C=C(C)CNCCn1cccn1 2230a_100011200920_100000748629 [0,0,0,0,0,1|3,0,0]=4 1082 B12R1.255 C=C(C)CNCCn1cncn1 2230a_200000738561_100000748629 [0,0,0,0,0,1|2,0,1]=4 1083 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100000748629_100020628418 [0,0,0,0,0,1|2,0,0]=3 1084 B12R1.255 C=C(C)CSCCc1c[nH]cn1 62a_100020628418_100000211660 [0,0,0,0,0,1|2,0,0]=3 1085 B12R1.255 C=C(F)CSCCc1c[nH]cn1 62a_100000042424_100020628418 [0,0,0,0,0,1|2,0,1]=4 1086 B12R1.255 C=C(F)CSCCc1c[nH]cn1 62a_100020628418_100000042424 [0,0,0,0,0,1|2,0,1]=4 1087 B12R1.255 CC(=CCCSc1c[nH]cn1)C 62a_100000756875_100011217483 [0,0,0,0,0,1|2,0,0]=3 1088 B12R1.255 CC(=CCCSc1c[nH]cn1)C 62a_100011217483_100000756875 [0,0,0,0,0,1|2,0,0]=3 1089 B12R1.255 CC(=CCCSc1c[nH]nn1)C 62a_100009819707_100011217483 [0,0,0,0,0,1|3,0,0]=4 1090 B12R1.255 CC(=CCCSc1c[nH]nn1)C 62a_100011217483_100009819707 [0,0,0,0,0,1|3,0,0]=4 1091 B12R1.255 CC(=CCCSc1cscn1)C 62a_100000751502_100011217483 [0,0,0,0,0,1|3,0,0]=4 1092 B12R1.255 CC(=CCCSc1cscn1)C 62a_100011217483_100000751502 [0,0,0,0,0,1|3,0,0]=4 1093 B12R1.255 CC(=CCCSc1nc[nH]n1)C 62a_100000761765_100011217483 [0,0,0,0,0,1|3,0,0]=4 1094 B12R1.255 CC(=CCCSc1nc[nH]n1)C 62a_100011217483_100000761765 [0,0,0,0,0,1|3,0,0]=4 1095 B12R1.255 CC(=CCNCc1c[nH]cn1)C 34a_100000718196_100000707719 [0,0,0,0,0,1|2,0,0]=3 1096 B12R1.255 CC(=CCNCc1cocn1)C 270004a_100000718196_100000050382 [0,0,0,0,0,1|3,0,0]=4 1097 B12R1.255 CC(=CCNCc1cscn1)C 2230a_100015185402_100000761012 [0,0,0,0,0,1|3,0,0]=4 1098 B12R1.255 CC(=CCNCc1cscn1)C 270004a_100000718196_100000743575 [0,0,0,0,0,1|3,0,0]=4 1099 B12R1.255 CC(=CCNCc1cscn1)C 34a_100000718196_100000205941 [0,0,0,0,0,1|3,0,0]=4 1100 B12R1.255 CC(=CCOCc1c[nH]cn1)C 34a_100000753907_100000707719 [0,0,0,0,0,1|2,0,0]=3 1101 B12R1.255 CC(=CCOCc1cscn1)C 34a_100000753907_100000205941 [0,0,0,0,0,1|3,0,0]=4 1102 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000707719_100000761012 [0,0,0,0,0,1|2,0,0]=3 1103 B12R1.255 CC(=CCSCc1c[nH]cn1)C 62a_100000761012_100000707719 [0,0,0,0,0,1|2,0,0]=3 1104 B12R1.255 CC(=CCSCc1cscn1)C 62a_100000205941_100000761012 [0,0,0,0,0,1|3,0,0]=4 1105 B12R1.255 CC(=CCSCc1cscn1)C 62a_100000761012_100000205941 [0,0,0,0,0,1|3,0,0]=4 1106 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,0,0,0,0,1|3,0,0]=4 1107 B12R1.255 CC(=O)CCCOc1ccsc1 34a_100000106738_100000685027 [0,0,0,0,0,1|3,0,0]=4 1108 B12R1.255 CC(=O)CCCOc1ccsc1 7a_100000106738_100011215641 [0,0,0,0,0,1|3,0,0]=4 1109 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011215641 [0,0,0,0,0,1|1,0,0]=2 1110 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100011215641_100000756875 [0,0,0,0,0,1|1,0,0]=2 1111 B12R1.255 CC(=O)CCCSc1c[nH]nn1 62a_100009819707_100011215641 [0,0,0,0,0,1|2,0,0]=3 1112 B12R1.255 CC(=O)CCCSc1c[nH]nn1 62a_100011215641_100009819707 [0,0,0,0,0,1|2,0,0]=3 1113 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011215641 [0,0,0,0,0,1|3,0,0]=4 1114 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100011215641_100000062575 [0,0,0,0,0,1|3,0,0]=4 1115 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,1|3,0,0]=4 1116 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,1|3,0,0]=4 1117 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,0,0,0,0,1|3,0,0]=4 1118 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,0,0,0,0,1|3,0,0]=4 1119 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215275_100011215641 [0,0,0,0,0,1|3,0,0]=4 1120 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215641_100011215275 [0,0,0,0,0,1|3,0,0]=4 1121 B12R1.255 CC(=O)CCCSc1ccon1 62a_100009818083_100011215641 [0,0,0,0,0,1|3,0,0]=4 1122 B12R1.255 CC(=O)CCCSc1ccon1 62a_100011215641_100009818083 [0,0,0,0,0,1|3,0,0]=4 1123 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100000738268_100011215641 [0,0,0,0,0,1|3,0,0]=4 1124 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100011215641_100000738268 [0,0,0,0,0,1|3,0,0]=4 1125 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100009818082_100011215641 [0,0,0,0,0,1|3,0,0]=4 1126 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100011215641_100009818082 [0,0,0,0,0,1|3,0,0]=4 1127 B12R1.255 CC(=O)CCCSc1cn[nH]c1 62a_100000238712_100011215641 [0,0,0,0,0,1|3,0,0]=4 1128 B12R1.255 CC(=O)CCCSc1cn[nH]c1 62a_100011215641_100000238712 [0,0,0,0,0,1|3,0,0]=4 1129 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,0,0,0,0,1|2,0,1]=4 1130 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,0,0,0,0,1|2,0,1]=4 1131 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011215641_100011934649 [0,0,0,0,0,1|2,0,1]=4 1132 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011934649_100011215641 [0,0,0,0,0,1|2,0,1]=4 1133 B12R1.255 CC(=O)CCCSc1cscn1 62a_100000751502_100011215641 [0,0,0,0,0,1|2,0,0]=3 1134 B12R1.255 CC(=O)CCCSc1cscn1 62a_100011215641_100000751502 [0,0,0,0,0,1|2,0,0]=3 1135 B12R1.255 CC(=O)CCCSc1nc[nH]n1 62a_100000761765_100011215641 [0,0,0,0,0,1|2,0,0]=3 1136 B12R1.255 CC(=O)CCCSc1nc[nH]n1 62a_100011215641_100000761765 [0,0,0,0,0,1|2,0,0]=3 1137 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100011215641_100025796157 [0,0,0,0,0,1|3,0,0]=4 1138 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011215641 [0,0,0,0,0,1|3,0,0]=4 1139 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,0,0,0,0,1|3,0,0]=4 1140 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,0,0,0,0,1|3,0,0]=4 1141 B12R1.255 CC(=O)CCCSc1nccs1 62a_100000211983_100011215641 [0,0,0,0,0,1|3,0,0]=4 1142 B12R1.255 CC(=O)CCCSc1nccs1 62a_100011215641_100000211983 [0,0,0,0,0,1|3,0,0]=4 1143 B12R1.255 CC(=O)CCCSc1ncns1 62a_100000693119_100011215641 [0,0,0,0,0,1|2,0,1]=4 1144 B12R1.255 CC(=O)CCCSc1ncns1 62a_100011215641_100000693119 [0,0,0,0,0,1|2,0,1]=4 1145 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,1|1,0,0]=2 1146 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [0,0,0,0,0,1|3,0,0]=4 1147 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [0,0,0,0,0,1|3,0,0]=4 1148 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,0,0,0,1|3,0,0]=4 1149 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,0,0,0,1|3,0,0]=4 1150 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [0,0,0,0,0,1|2,0,1]=4 1151 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [0,0,0,0,0,1|2,0,1]=4 1152 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,1|2,0,0]=3 1153 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,1|2,0,0]=3 1154 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [0,0,0,0,0,1|3,0,0]=4 1155 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [0,0,0,0,0,1|3,0,0]=4 1156 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,0,0,0,0,1|3,0,0]=4 1157 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,0,0,0,0,1|3,0,0]=4 1158 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [0,0,0,0,0,1|3,0,0]=4 1159 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [0,0,0,0,0,1|3,0,0]=4 1160 B12R1.255 CC(=O)CCOCc1ncon1 34a_100000759926_100000233494 [0,0,0,0,0,1|3,0,0]=4 1161 B12R1.255 CC(=O)CCOCn1cncn1 34a_100000759926_200020645497 [0,0,0,0,0,1|2,0,1]=4 1162 B12R1.255 CC(=O)CCOCn1cncn1 7a_100000759926_200020645497 [0,0,0,0,0,1|2,0,1]=4 1163 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [0,0,0,0,0,1|1,0,0]=2 1164 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [0,0,0,0,0,1|1,0,0]=2 1165 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000053229_100000234950 [0,0,0,0,0,1|3,0,0]=4 1166 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000234950_100000053229 [0,0,0,0,0,1|3,0,0]=4 1167 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [0,0,0,0,0,1|3,0,0]=4 1168 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [0,0,0,0,0,1|3,0,0]=4 1169 B12R1.255 CC(=O)CCSCc1cncs1 62a_100000053229_100015185245 [0,0,0,0,0,1|2,0,1]=4 1170 B12R1.255 CC(=O)CCSCc1cncs1 62a_100015185245_100000053229 [0,0,0,0,0,1|2,0,1]=4 1171 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [0,0,0,0,0,1|2,0,0]=3 1172 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [0,0,0,0,0,1|2,0,0]=3 1173 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100000053229_100016991755 [0,0,0,0,0,1|3,0,0]=4 1174 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000053229 [0,0,0,0,0,1|3,0,0]=4 1175 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,0,0,0,0,1|3,0,0]=4 1176 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,0,0,0,0,1|3,0,0]=4 1177 B12R1.255 CC(=O)CCSCc1nccs1 62a_100000053229_100015184050 [0,0,0,0,0,1|3,0,0]=4 1178 B12R1.255 CC(=O)CCSCc1nccs1 62a_100015184050_100000053229 [0,0,0,0,0,1|3,0,0]=4 1179 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000053229_100000233494 [0,0,0,0,0,1|3,0,0]=4 1180 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000233494_100000053229 [0,0,0,0,0,1|3,0,0]=4 1181 B12R1.255 CC(=O)CCSCn1cncn1 62a_100000053229_200020645497 [0,0,0,0,0,1|2,0,1]=4 1182 B12R1.255 CC(=O)CCSCn1cncn1 62a_200020645497_100000053229 [0,0,0,0,0,1|2,0,1]=4 1183 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,0,0,0,0,1|3,0,0]=4 1184 B12R1.255 CC(=O)COCCn1cccn1 34a_100000211253_100015204718 [0,0,0,0,0,1|3,0,0]=4 1185 B12R1.255 CC(=O)COCCn1cncn1 34a_100000211253_200000749826 [0,0,0,0,0,1|2,0,1]=4 1186 B12R1.255 CC(=O)NCCCn1cccn1 11a_100000737576_100015343762 [0,0,0,0,0,1|2,0,0]=3 1187 B12R1.255 CC(=O)NCCCn1cccn1 240690a_100000737576_100015343762 [0,0,0,0,0,1|2,0,0]=3 1188 B12R1.255 CC(=O)NCCCn1cccn1 527a_100000737576_100103153847 [0,0,0,0,0,1|2,0,0]=3 1189 B12R1.255 CC(=O)NCCCn1ccnc1 240690a_100000210438_100015343762 [0,0,0,0,0,1|2,0,1]=4 1190 B12R1.255 CC(=O)NCCCn1ccnc1 527a_100000210438_100103153847 [0,0,0,0,0,1|2,0,1]=4 1191 B12R1.255 CC(=O)NCCCn1cncn1 11a_100015184301_100015343762 [0,0,0,0,0,1|1,0,1]=3 1192 B12R1.255 CC(=O)NCCCn1cncn1 240690a_100015184301_100015343762 [0,0,0,0,0,1|1,0,1]=3 1193 B12R1.255 CC(=O)NCCCn1cncn1 527a_100015184301_100103153847 [0,0,0,0,0,1|1,0,1]=3 1194 B12R1.255 CC(=O)NCCNc1ncns1 27a_100000209853_100000693119 [0,0,0,0,0,1|1,0,1]=3 1195 B12R1.255 CC(=O)NCCNc1nncs1 27a_100000209853_100000739804 [0,0,0,0,0,1|2,0,1]=4 1196 B12R1.255 CC(=O)NCCOc1ccsc1 7a_100000106738_100000189650 [0,0,0,0,0,1|2,0,0]=3 1197 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000189650_100000756875 [0,0,0,0,0,1|0,0,0]=1 1198 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000756875_100000189650 [0,0,0,0,0,1|0,0,0]=1 1199 B12R1.255 CC(=O)NCCSc1c[nH]nn1 62a_100000189650_100009819707 [0,0,0,0,0,1|1,0,0]=2 1200 B12R1.255 CC(=O)NCCSc1c[nH]nn1 62a_100009819707_100000189650 [0,0,0,0,0,1|1,0,0]=2 1201 B12R1.255 CC(=O)NCCSc1cc[nH]n1 62a_100000062575_100000189650 [0,0,0,0,0,1|2,0,0]=3 1202 B12R1.255 CC(=O)NCCSc1cc[nH]n1 62a_100000189650_100000062575 [0,0,0,0,0,1|2,0,0]=3 1203 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,1|2,0,0]=3 1204 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,1|2,0,0]=3 1205 B12R1.255 CC(=O)NCCSc1cccs1 62a_100000189650_100011215356 [0,0,0,0,0,1|2,0,0]=3 1206 B12R1.255 CC(=O)NCCSc1cccs1 62a_100011215356_100000189650 [0,0,0,0,0,1|2,0,0]=3 1207 B12R1.255 CC(=O)NCCSc1ccoc1 62a_100000189650_100011215275 [0,0,0,0,0,1|2,0,0]=3 1208 B12R1.255 CC(=O)NCCSc1ccoc1 62a_100011215275_100000189650 [0,0,0,0,0,1|2,0,0]=3 1209 B12R1.255 CC(=O)NCCSc1ccon1 62a_100000189650_100009818083 [0,0,0,0,0,1|2,0,0]=3 1210 B12R1.255 CC(=O)NCCSc1ccon1 62a_100009818083_100000189650 [0,0,0,0,0,1|2,0,0]=3 1211 B12R1.255 CC(=O)NCCSc1ccsc1 62a_100000189650_100000738268 [0,0,0,0,0,1|2,0,0]=3 1212 B12R1.255 CC(=O)NCCSc1ccsc1 62a_100000738268_100000189650 [0,0,0,0,0,1|2,0,0]=3 1213 B12R1.255 CC(=O)NCCSc1ccsn1 62a_100000189650_100009818082 [0,0,0,0,0,1|2,0,0]=3 1214 B12R1.255 CC(=O)NCCSc1ccsn1 62a_100009818082_100000189650 [0,0,0,0,0,1|2,0,0]=3 1215 B12R1.255 CC(=O)NCCSc1cn[nH]c1 62a_100000189650_100000238712 [0,0,0,0,0,1|2,0,0]=3 1216 B12R1.255 CC(=O)NCCSc1cn[nH]c1 62a_100000238712_100000189650 [0,0,0,0,0,1|2,0,0]=3 1217 B12R1.255 CC(=O)NCCSc1cnco1 62a_100000189650_100020591547 [0,0,0,0,0,1|1,0,1]=3 1218 B12R1.255 CC(=O)NCCSc1cnco1 62a_100020591547_100000189650 [0,0,0,0,0,1|1,0,1]=3 1219 B12R1.255 CC(=O)NCCSc1cncs1 62a_100000189650_100011934649 [0,0,0,0,0,1|1,0,1]=3 1220 B12R1.255 CC(=O)NCCSc1cncs1 62a_100011934649_100000189650 [0,0,0,0,0,1|1,0,1]=3 1221 B12R1.255 CC(=O)NCCSc1cnn[nH]1 240690a_100015187098_100015343762 [0,0,0,0,0,1|1,0,2]=4 1222 B12R1.255 CC(=O)NCCSc1cnn[nH]1 527a_100015187098_100103153847 [0,0,0,0,0,1|1,0,2]=4 1223 B12R1.255 CC(=O)NCCSc1cnoc1 62a_100000189650_100009815712 [0,0,0,0,0,1|2,0,1]=4 1224 B12R1.255 CC(=O)NCCSc1cnoc1 62a_100009815712_100000189650 [0,0,0,0,0,1|2,0,1]=4 1225 B12R1.255 CC(=O)NCCSc1cnsc1 62a_100000189650_100009815736 [0,0,0,0,0,1|2,0,1]=4 1226 B12R1.255 CC(=O)NCCSc1cnsc1 62a_100009815736_100000189650 [0,0,0,0,0,1|2,0,1]=4 1227 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000189650_100000751502 [0,0,0,0,0,1|1,0,0]=2 1228 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000751502_100000189650 [0,0,0,0,0,1|1,0,0]=2 1229 B12R1.255 CC(=O)NCCSc1nc[nH]n1 62a_100000189650_100000761765 [0,0,0,0,0,1|1,0,0]=2 1230 B12R1.255 CC(=O)NCCSc1nc[nH]n1 62a_100000761765_100000189650 [0,0,0,0,0,1|1,0,0]=2 1231 B12R1.255 CC(=O)NCCSc1ncc[nH]1 62a_100000189650_100025796157 [0,0,0,0,0,1|2,0,0]=3 1232 B12R1.255 CC(=O)NCCSc1ncc[nH]1 62a_100025796157_100000189650 [0,0,0,0,0,1|2,0,0]=3 1233 B12R1.255 CC(=O)NCCSc1ncco1 62a_100000189650_100011787736 [0,0,0,0,0,1|2,0,0]=3 1234 B12R1.255 CC(=O)NCCSc1ncco1 62a_100011787736_100000189650 [0,0,0,0,0,1|2,0,0]=3 1235 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000189650_100000211983 [0,0,0,0,0,1|2,0,0]=3 1236 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000211983_100000189650 [0,0,0,0,0,1|2,0,0]=3 1237 B12R1.255 CC(=O)NCCSc1ncn[nH]1 240690a_200015184488_100015343762 [0,0,0,0,0,1|1,0,1]=3 1238 B12R1.255 CC(=O)NCCSc1ncns1 62a_100000189650_100000693119 [0,0,0,0,0,1|1,0,1]=3 1239 B12R1.255 CC(=O)NCCSc1ncns1 62a_100000693119_100000189650 [0,0,0,0,0,1|1,0,1]=3 1240 B12R1.255 CC(=O)NCCSc1nncs1 62a_100000189650_100000739804 [0,0,0,0,0,1|2,0,1]=4 1241 B12R1.255 CC(=O)NCCSc1nncs1 62a_100000739804_100000189650 [0,0,0,0,0,1|2,0,1]=4 1242 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,0,0,0,0,1|1,0,1]=3 1243 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [0,0,0,0,0,1|2,0,1]=4 1244 B12R1.255 CC(=O)OCC=Cc1nc[nH]n1 271570a_200000047263_100000761765 [0,0,0,0,0,1|2,0,1]=4 1245 B12R1.255 CC(=O)OCCOc1ccsc1 34a_100000106738_100009814007 [0,0,0,0,0,1|3,0,0]=4 1246 B12R1.255 CC(=O)OCCOc1ccsc1 7a_100000106738_100009814007 [0,0,0,0,0,1|3,0,0]=4 1247 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100000756875_100009814007 [0,0,0,0,0,1|1,0,0]=2 1248 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100009814007_100000756875 [0,0,0,0,0,1|1,0,0]=2 1249 B12R1.255 CC(=O)OCCSc1c[nH]nn1 62a_100009814007_100009819707 [0,0,0,0,0,1|2,0,0]=3 1250 B12R1.255 CC(=O)OCCSc1c[nH]nn1 62a_100009819707_100009814007 [0,0,0,0,0,1|2,0,0]=3 1251 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100000062575_100009814007 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100009814007_100000062575 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.255 CC(=O)OCCSc1cccs1 62a_100009814007_100011215356 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.255 CC(=O)OCCSc1cccs1 62a_100011215356_100009814007 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100009814007_100011215275 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100011215275_100009814007 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009814007_100009818083 [0,0,0,0,0,1|3,0,0]=4 1260 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009818083_100009814007 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100000738268_100009814007 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100009814007_100000738268 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009814007_100009818082 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009818082_100009814007 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.255 CC(=O)OCCSc1cn[nH]c1 62a_100000238712_100009814007 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.255 CC(=O)OCCSc1cn[nH]c1 62a_100009814007_100000238712 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.255 CC(=O)OCCSc1cnco1 62a_100009814007_100020591547 [0,0,0,0,0,1|2,0,1]=4 1268 B12R1.255 CC(=O)OCCSc1cnco1 62a_100020591547_100009814007 [0,0,0,0,0,1|2,0,1]=4 1269 B12R1.255 CC(=O)OCCSc1cncs1 62a_100009814007_100011934649 [0,0,0,0,0,1|2,0,1]=4 1270 B12R1.255 CC(=O)OCCSc1cncs1 62a_100011934649_100009814007 [0,0,0,0,0,1|2,0,1]=4 1271 B12R1.255 CC(=O)OCCSc1cscn1 62a_100000751502_100009814007 [0,0,0,0,0,1|2,0,0]=3 1272 B12R1.255 CC(=O)OCCSc1cscn1 62a_100009814007_100000751502 [0,0,0,0,0,1|2,0,0]=3 1273 B12R1.255 CC(=O)OCCSc1nc[nH]n1 62a_100000761765_100009814007 [0,0,0,0,0,1|2,0,0]=3 1274 B12R1.255 CC(=O)OCCSc1nc[nH]n1 62a_100009814007_100000761765 [0,0,0,0,0,1|2,0,0]=3 1275 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100009814007_100025796157 [0,0,0,0,0,1|3,0,0]=4 1276 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100025796157_100009814007 [0,0,0,0,0,1|3,0,0]=4 1277 B12R1.255 CC(=O)OCCSc1ncco1 62a_100009814007_100011787736 [0,0,0,0,0,1|3,0,0]=4 1278 B12R1.255 CC(=O)OCCSc1ncco1 62a_100011787736_100009814007 [0,0,0,0,0,1|3,0,0]=4 1279 B12R1.255 CC(=O)OCCSc1nccs1 62a_100000211983_100009814007 [0,0,0,0,0,1|3,0,0]=4 1280 B12R1.255 CC(=O)OCCSc1nccs1 62a_100009814007_100000211983 [0,0,0,0,0,1|3,0,0]=4 1281 B12R1.255 CC(=O)OCCSc1ncns1 62a_100000693119_100009814007 [0,0,0,0,0,1|2,0,1]=4 1282 B12R1.255 CC(=O)OCCSc1ncns1 62a_100009814007_100000693119 [0,0,0,0,0,1|2,0,1]=4 1283 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.255 CC(=O)OCNCc1ccoc1 34a_100015206860_100009813279 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.255 CC(=O)OCNCc1ccsc1 34a_100000186416_100009813279 [0,0,0,0,0,1|3,0,0]=4 1286 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [0,0,0,0,0,1|3,0,0]=4 1288 B12R1.255 CC(=O)OCOCc1ccoc1 34a_100011215357_100009813279 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.255 CC(=O)OCOCc1ccsc1 34a_100011215551_100009813279 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.255 CC(=O)OCOCc1ncco1 34a_100000062594_100009813279 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.255 CC(=O)OCOCn1cccn1 34a_100000731028_100009813279 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [0,0,0,0,0,1|1,0,0]=2 1293 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [0,0,0,0,0,1|1,0,0]=2 1294 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000076356_100000234950 [0,0,0,0,0,1|3,0,0]=4 1295 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000234950_100000076356 [0,0,0,0,0,1|3,0,0]=4 1296 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100000076356_100011233845 [0,0,0,0,0,1|3,0,0]=4 1297 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100011261437_100000076356 [0,0,0,0,0,1|3,0,0]=4 1298 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [0,0,0,0,0,1|2,0,1]=4 1299 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [0,0,0,0,0,1|2,0,1]=4 1300 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [0,0,0,0,0,1|2,0,0]=3 1301 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [0,0,0,0,0,1|2,0,0]=3 1302 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100000076356_100016991755 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000076356 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.255 CC(=O)OCSCc1ncco1 62a_100000076356_103436540062 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.255 CC(=O)OCSCc1ncco1 62a_103436540062_100000076356 [0,0,0,0,0,1|3,0,0]=4 1306 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [0,0,0,0,0,1|3,0,0]=4 1307 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [0,0,0,0,0,1|3,0,0]=4 1308 B12R1.255 CC(=O)OCSCc1ncon1 62a_100000076356_100000233494 [0,0,0,0,0,1|3,0,0]=4 1309 B12R1.255 CC(=O)OCSCc1ncon1 62a_100000233494_100000076356 [0,0,0,0,0,1|3,0,0]=4 1310 B12R1.255 CC(=O)OCSCn1cncn1 62a_100000076356_200020645497 [0,0,0,0,0,1|2,0,1]=4 1311 B12R1.255 CC(=O)OCSCn1cncn1 62a_200020645497_100000076356 [0,0,0,0,0,1|2,0,1]=4 1312 B12R1.255 CC(Br)CCOCc1c[nH]cn1 34a_100009893172_100000707719 [0,0,0,0,0,1|2,0,1]=4 1313 B12R1.255 CC(C)CCCSc1c[nH]cn1 62a_100000756875_100011214892 [0,0,0,0,0,1|2,0,1]=4 1314 B12R1.255 CC(C)CCCSc1c[nH]cn1 62a_100011214892_100000756875 [0,0,0,0,0,1|2,0,1]=4 1315 B12R1.255 CC(C)CCOCc1c[nH]cn1 34a_100000210254_100000707719 [0,0,0,0,0,1|2,0,1]=4 1316 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000210312_100000707719 [0,0,0,0,0,1|2,0,1]=4 1317 B12R1.255 CC(C)CCSCc1c[nH]cn1 62a_100000707719_100000210312 [0,0,0,0,0,1|2,0,1]=4 1318 B12R1.255 CC(C)CNCCc1c[nH]cn1 2230a_100000210953_100020628418 [0,0,0,0,0,1|1,0,1]=3 1319 B12R1.255 CC(C)CNCCc1c[nH]cn1 270004a_100000755092_100000210432 [0,0,0,0,0,1|1,0,1]=3 1320 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100000210624_100020628418 [0,0,0,0,0,1|2,0,1]=4 1321 B12R1.255 CC(C)CSCCc1c[nH]cn1 62a_100020628418_100000210760 [0,0,0,0,0,1|2,0,1]=4 1322 B12R1.255 CC(C)OCCSc1c[nH]cn1 62a_100000211751_100000756875 [0,0,0,0,0,1|2,0,1]=4 1323 B12R1.255 CC(C)OCCSc1c[nH]cn1 62a_100000756875_100000211751 [0,0,0,0,0,1|2,0,1]=4 1324 B12R1.255 CC(C)OCSCc1c[nH]cn1 62a_100000707719_100000709892 [0,0,0,0,0,1|2,0,1]=4 1325 B12R1.255 CC(C)OCSCc1c[nH]cn1 62a_100000709892_100000707719 [0,0,0,0,0,1|2,0,1]=4 1326 B12R1.255 CC(C)SCCSc1c[nH]cn1 62a_100000730970_100000756875 [0,0,0,0,0,1|2,0,1]=4 1327 B12R1.255 CC(C)SCCSc1c[nH]cn1 62a_100000756875_100000730970 [0,0,0,0,0,1|2,0,1]=4 1328 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_100000756875_200000718107 [0,0,0,0,0,1|1,0,2]=4 1329 B12R1.255 CC(O)CCCSc1c[nH]cn1 62a_200000718107_100000756875 [0,0,0,0,0,1|1,0,2]=4 1330 B12R1.255 CC(O)CCNCc1c[nH]cn1 2230a_200000755665_100000707719 [0,0,0,0,0,1|1,0,2]=4 1331 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100000707719_100012276601 [0,0,0,0,0,1|1,0,2]=4 1332 B12R1.255 CC(O)CCSCc1c[nH]cn1 62a_100012276601_100000707719 [0,0,0,0,0,1|1,0,2]=4 1333 B12R1.255 CC(O)CNCCc1c[nH]cn1 2230a_100000210904_100020628418 [0,0,0,0,0,1|0,0,2]=3 1334 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100011218427_100020628418 [0,0,0,0,0,1|1,0,2]=4 1335 B12R1.255 CC(O)CSCCc1c[nH]cn1 62a_100020628418_100011218427 [0,0,0,0,0,1|1,0,2]=4 1336 B12R1.255 CN(C)CCCSc1c[nH]cn1 62a_100000756875_100000757444 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.255 CN(C)CCSCc1c[nH]cn1 62a_100000707719_100000755713 [0,0,0,0,0,1|3,0,0]=4 1338 B12R1.255 C[C@@H](N)CCOCc1c[nH]cn1 34a_100000706166_100000707719 [0,0,0,0,0,1|2,0,1]=4 1339 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100009817552_100020628418 [0,0,0,0,0,1|1,0,2]=4 1340 B12R1.255 C[C@@H](O)CSCCc1c[nH]cn1 62a_100020628418_100009817552 [0,0,0,0,0,1|1,0,2]=4 1341 B12R1.255 FC(=CCCSc1c[nH]cn1)F 62a_100000756875_200009816681 [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.255 FC(=CCCSc1c[nH]cn1)F 62a_200009816681_100000756875 [0,0,0,0,0,1|3,0,0]=4 1343 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100000756875_100102525003 [0,0,0,0,0,1|2,0,0]=3 1344 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100102525003_100000756875 [0,0,0,0,0,1|2,0,0]=3 1345 B12R1.255 NC(=O)CCCSc1c[nH]nn1 62a_100009819707_100102525003 [0,0,0,0,0,1|3,0,0]=4 1346 B12R1.255 NC(=O)CCCSc1c[nH]nn1 62a_100102525003_100009819707 [0,0,0,0,0,1|3,0,0]=4 1347 B12R1.255 NC(=O)CCCSc1cscn1 62a_100000751502_100102525003 [0,0,0,0,0,1|3,0,0]=4 1348 B12R1.255 NC(=O)CCCSc1cscn1 62a_100102525003_100000751502 [0,0,0,0,0,1|3,0,0]=4 1349 B12R1.255 NC(=O)CCCSc1nc[nH]n1 62a_100000761765_100102525003 [0,0,0,0,0,1|3,0,0]=4 1350 B12R1.255 NC(=O)CCCSc1nc[nH]n1 62a_100102525003_100000761765 [0,0,0,0,0,1|3,0,0]=4 1351 B12R1.255 NC(=O)CCNCc1cscn1 207a_100000740010_100000743575 [0,0,0,0,0,1|3,0,0]=4 1352 B12R1.255 NC(=O)CCNCc1cscn1 2230a_100015185402_100000744528 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.255 NC(=O)CCOCc1c[nH]cn1 34a_100000757172_100000707719 [0,0,0,0,0,1|2,0,0]=3 1354 B12R1.255 NC(=O)CCOCc1cscn1 34a_100000757172_100000205941 [0,0,0,0,0,1|3,0,0]=4 1355 B12R1.255 NC(=O)CCOCc1cscn1 7a_100000757172_100000205941 [0,0,0,0,0,1|3,0,0]=4 1356 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000744528 [0,0,0,0,0,1|2,0,0]=3 1357 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000744528_100000707719 [0,0,0,0,0,1|2,0,0]=3 1358 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000205941_100000744528 [0,0,0,0,0,1|3,0,0]=4 1359 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000744528_100000205941 [0,0,0,0,0,1|3,0,0]=4 1360 B12R1.255 NC(=O)CNCCc1c[nH]cn1 2230a_100000711301_100020628418 [0,0,0,0,0,1|1,0,0]=2 1361 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,0,0,0,0,1|3,0,0]=4 1362 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,0,0,0,0,1|3,0,0]=4 1363 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000203755_100000747473 [0,0,0,0,0,1|3,0,0]=4 1364 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000711301_100000748579 [0,0,0,0,0,1|3,0,0]=4 1365 B12R1.255 NC(=O)CNCCc1cccs1 34a_100000203755_100000187820 [0,0,0,0,0,1|3,0,0]=4 1366 B12R1.255 NC(=O)CNCCc1ccsc1 2230a_100000692642_100000747473 [0,0,0,0,0,1|3,0,0]=4 1367 B12R1.255 NC(=O)CNCCc1ccsc1 34a_100000692642_100000187820 [0,0,0,0,0,1|3,0,0]=4 1368 B12R1.255 NC(=O)CNCCc1cn[nH]c1 2230a_100000711301_100000743252 [0,0,0,0,0,1|3,0,0]=4 1369 B12R1.255 NC(=O)CNCCc1cn[nH]c1 2230a_100000732747_100000747473 [0,0,0,0,0,1|3,0,0]=4 1370 B12R1.255 NC(=O)CNCCc1cncs1 2230a_100016991637_100000747473 [0,0,0,0,0,1|2,0,1]=4 1371 B12R1.255 NC(=O)CNCCc1nccs1 2230a_100015186391_100000747473 [0,0,0,0,0,1|3,0,0]=4 1372 B12R1.255 NC(=O)CNCCn1cccn1 2230a_100000711301_100000685285 [0,0,0,0,0,1|3,0,0]=4 1373 B12R1.255 NC(=O)CNCCn1cccn1 2230a_100011200920_100000747473 [0,0,0,0,0,1|3,0,0]=4 1374 B12R1.255 NC(=O)CNCCn1cncn1 2230a_100000711301_100000731791 [0,0,0,0,0,1|2,0,1]=4 1375 B12R1.255 NC(=O)CNCCn1cncn1 2230a_200000738561_100000747473 [0,0,0,0,0,1|2,0,1]=4 1376 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100000747473_100020628418 [0,0,0,0,0,1|2,0,0]=3 1377 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747473 [0,0,0,0,0,1|2,0,0]=3 1378 B12R1.255 NC(=O)NCCNc1ncns1 27a_100020590234_100000693119 [0,0,0,0,0,1|2,0,1]=4 1379 B12R1.255 NC(=O)NCCOc1ccsc1 7a_100000106738_200000034859 [0,0,0,0,0,1|3,0,0]=4 1380 B12R1.255 NC(=O)NCCSc1c[nH]cn1 62a_100000756875_200000034859 [0,0,0,0,0,1|1,0,0]=2 1381 B12R1.255 NC(=O)NCCSc1c[nH]cn1 62a_200000034859_100000756875 [0,0,0,0,0,1|1,0,0]=2 1382 B12R1.255 NC(=O)NCCSc1c[nH]nn1 62a_100009819707_200000034859 [0,0,0,0,0,1|2,0,0]=3 1383 B12R1.255 NC(=O)NCCSc1c[nH]nn1 62a_200000034859_100009819707 [0,0,0,0,0,1|2,0,0]=3 1384 B12R1.255 NC(=O)NCCSc1cc[nH]n1 62a_100000062575_200000034859 [0,0,0,0,0,1|3,0,0]=4 1385 B12R1.255 NC(=O)NCCSc1cc[nH]n1 62a_200000034859_100000062575 [0,0,0,0,0,1|3,0,0]=4 1386 B12R1.255 NC(=O)NCCSc1ccco1 62a_100009814098_200000034859 [0,0,0,0,0,1|3,0,0]=4 1387 B12R1.255 NC(=O)NCCSc1ccco1 62a_200000034859_100009814098 [0,0,0,0,0,1|3,0,0]=4 1388 B12R1.255 NC(=O)NCCSc1cccs1 62a_100011215356_200000034859 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.255 NC(=O)NCCSc1cccs1 62a_200000034859_100011215356 [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.255 NC(=O)NCCSc1ccoc1 62a_100011215275_200000034859 [0,0,0,0,0,1|3,0,0]=4 1391 B12R1.255 NC(=O)NCCSc1ccoc1 62a_200000034859_100011215275 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.255 NC(=O)NCCSc1ccon1 62a_100009818083_200000034859 [0,0,0,0,0,1|3,0,0]=4 1393 B12R1.255 NC(=O)NCCSc1ccon1 62a_200000034859_100009818083 [0,0,0,0,0,1|3,0,0]=4 1394 B12R1.255 NC(=O)NCCSc1ccsc1 62a_100000738268_200000034859 [0,0,0,0,0,1|3,0,0]=4 1395 B12R1.255 NC(=O)NCCSc1ccsc1 62a_200000034859_100000738268 [0,0,0,0,0,1|3,0,0]=4 1396 B12R1.255 NC(=O)NCCSc1ccsn1 62a_100009818082_200000034859 [0,0,0,0,0,1|3,0,0]=4 1397 B12R1.255 NC(=O)NCCSc1ccsn1 62a_200000034859_100009818082 [0,0,0,0,0,1|3,0,0]=4 1398 B12R1.255 NC(=O)NCCSc1cn[nH]c1 62a_100000238712_200000034859 [0,0,0,0,0,1|3,0,0]=4 1399 B12R1.255 NC(=O)NCCSc1cn[nH]c1 62a_200000034859_100000238712 [0,0,0,0,0,1|3,0,0]=4 1400 B12R1.255 NC(=O)NCCSc1cnco1 62a_100020591547_200000034859 [0,0,0,0,0,1|2,0,1]=4 1401 B12R1.255 NC(=O)NCCSc1cnco1 62a_200000034859_100020591547 [0,0,0,0,0,1|2,0,1]=4 1402 B12R1.255 NC(=O)NCCSc1cncs1 62a_100011934649_200000034859 [0,0,0,0,0,1|2,0,1]=4 1403 B12R1.255 NC(=O)NCCSc1cncs1 62a_200000034859_100011934649 [0,0,0,0,0,1|2,0,1]=4 1404 B12R1.255 NC(=O)NCCSc1cscn1 62a_100000751502_200000034859 [0,0,0,0,0,1|2,0,0]=3 1405 B12R1.255 NC(=O)NCCSc1cscn1 62a_200000034859_100000751502 [0,0,0,0,0,1|2,0,0]=3 1406 B12R1.255 NC(=O)NCCSc1nc[nH]n1 62a_100000761765_200000034859 [0,0,0,0,0,1|2,0,0]=3 1407 B12R1.255 NC(=O)NCCSc1nc[nH]n1 62a_200000034859_100000761765 [0,0,0,0,0,1|2,0,0]=3 1408 B12R1.255 NC(=O)NCCSc1ncc[nH]1 62a_100025796157_200000034859 [0,0,0,0,0,1|3,0,0]=4 1409 B12R1.255 NC(=O)NCCSc1ncc[nH]1 62a_200000034859_100025796157 [0,0,0,0,0,1|3,0,0]=4 1410 B12R1.255 NC(=O)NCCSc1ncco1 62a_100011787736_200000034859 [0,0,0,0,0,1|3,0,0]=4 1411 B12R1.255 NC(=O)NCCSc1ncco1 62a_200000034859_100011787736 [0,0,0,0,0,1|3,0,0]=4 1412 B12R1.255 NC(=O)NCCSc1nccs1 62a_100000211983_200000034859 [0,0,0,0,0,1|3,0,0]=4 1413 B12R1.255 NC(=O)NCCSc1nccs1 62a_200000034859_100000211983 [0,0,0,0,0,1|3,0,0]=4 1414 B12R1.255 NC(=O)NCCSc1ncns1 62a_100000693119_200000034859 [0,0,0,0,0,1|2,0,1]=4 1415 B12R1.255 NC(=O)NCCSc1ncns1 62a_200000034859_100000693119 [0,0,0,0,0,1|2,0,1]=4 1416 B12R1.255 NC(=O)OCCSc1c[nH]cn1 62a_100000756875_200011214921 [0,0,0,0,0,1|2,0,0]=3 1417 B12R1.255 NC(=O)OCCSc1c[nH]cn1 62a_200011214921_100000756875 [0,0,0,0,0,1|2,0,0]=3 1418 B12R1.255 NC(=O)OCCSc1c[nH]nn1 62a_100009819707_200011214921 [0,0,0,0,0,1|3,0,0]=4 1419 B12R1.255 NC(=O)OCCSc1c[nH]nn1 62a_200011214921_100009819707 [0,0,0,0,0,1|3,0,0]=4 1420 B12R1.255 NC(=O)OCCSc1cscn1 62a_100000751502_200011214921 [0,0,0,0,0,1|3,0,0]=4 1421 B12R1.255 NC(=O)OCCSc1cscn1 62a_200011214921_100000751502 [0,0,0,0,0,1|3,0,0]=4 1422 B12R1.255 NC(=O)OCCSc1nc[nH]n1 62a_100000761765_200011214921 [0,0,0,0,0,1|3,0,0]=4 1423 B12R1.255 NC(=O)OCCSc1nc[nH]n1 62a_200011214921_100000761765 [0,0,0,0,0,1|3,0,0]=4 1424 B12R1.255 O=C(O)CNCCc1c[nH]cn1 269956a_100016091260_100020628418 [0,0,0,0,0,1|1,0,0]=2 1425 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [0,0,0,0,0,1|3,0,0]=4 1426 B12R1.255 O=C(O)CNCCc1cn[nH]c1 269956a_100016091260_100000743252 [0,0,0,0,0,1|3,0,0]=4 1427 B12R1.255 O=C(O)CNCCn1cccn1 269956a_100016091260_100000685285 [0,0,0,0,0,1|3,0,0]=4 1428 B12R1.255 O=C(O)CNCCn1cncn1 269956a_100016091260_100000731791 [0,0,0,0,0,1|2,0,1]=4 1429 B12R1.255 O=C(O)CONCc1c[nH]cn1 269956a_100000106656_100000707719 [0,0,0,0,0,1|3,0,0]=4 1430 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,0,0,0,0,1|3,0,0]=4 1431 B12R1.255 O=C([O-])CNCCc1cccs1 34a_100000203755_100020667443 [0,0,0,0,0,1|3,0,0]=4 1432 B12R1.255 O=C([O-])CNCCc1ccsc1 34a_100000692642_100020667443 [0,0,0,0,0,1|3,0,0]=4 1433 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020628418_100020667443 [0,0,0,0,0,1|2,0,0]=3 1434 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020667443_100020628418 [0,0,0,0,0,1|2,0,0]=3 1435 B12R1.255 O=[N+]([O-])CSCCc1c[nH]cn1 62a_100020628418_100000761209 [0,0,0,0,0,1|3,0,0]=4 1436 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,0,0,0,0,1|3,0,0]=4 1437 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,1,0,0,0|2,0,0]=4 1438 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [1,0,1,0,0,0|1,0,0]=3 1439 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [1,0,1,0,0,0|2,0,0]=4 1440 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [1,0,1,0,0,0|2,0,0]=4 1441 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,0,1,0,0,0|1,0,1]=4 1442 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,0,1,0,0,0|1,0,1]=4 1443 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,0,1,0,0,0|1,0,1]=4 1444 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,0,1,0,0,0|1,0,1]=4 1445 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,0,1,0,0,0|1,0,1]=4 1446 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,0,1,0,0,0|1,0,1]=4 1447 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,0,1,0,0,0|1,0,1]=4 1448 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,1,0,0,0|1,0,1]=4 1449 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,1,0,0,0|1,0,1]=4 1450 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,1,0,0,0|1,0,1]=4 1451 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,1,0,0,0|1,0,1]=4 1452 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [1,0,1,0,0,0|2,0,0]=4 1453 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [1,0,1,0,0,0|2,0,0]=4 1454 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [1,0,1,0,0,0|2,0,0]=4 1455 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [1,0,1,0,0,0|2,0,0]=4 1456 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [1,0,1,0,0,0|2,0,0]=4 1457 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [1,0,1,0,0,0|1,0,1]=4 1458 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [1,0,1,0,0,0|1,0,1]=4 1459 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [1,0,1,0,0,0|1,0,1]=4 1460 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [1,0,1,0,0,0|1,0,1]=4 1461 B9R1.12 C=CCSc1c[nH]cn1 62a_100000210623_100000756875 [2,0,0,0,0,0|1,0,1]=4 1462 B9R1.12 C=CCSc1c[nH]cn1 62a_100000756875_100000210623 [2,0,0,0,0,0|1,0,1]=4 1463 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [2,0,0,0,0,0|0,0,1]=3 1464 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [2,0,0,0,0,0|1,0,1]=4 1465 B9R1.12 CCCCc1nc[nH]n1 271570a_100020621405_100000761765 [2,0,0,0,0,0|1,0,1]=4 1466 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [2,0,0,0,0,0|1,0,1]=4 1467 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [2,0,0,0,0,0|1,0,1]=4 1468 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [2,0,0,0,0,0|0,0,1]=3 1469 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [2,0,0,0,0,0|1,0,1]=4 1470 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [2,0,0,0,0,0|1,0,1]=4 1471 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [2,0,0,0,0,0|1,0,1]=4 1472 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [2,0,0,0,0,0|1,0,1]=4 1473 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [2,0,0,0,0,0|1,0,1]=4 1474 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [2,0,0,0,0,0|1,0,1]=4 1475 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [2,0,0,0,0,0|1,0,1]=4 1476 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [2,0,0,0,0,0|1,0,1]=4 1477 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [2,0,0,0,0,0|0,0,0]=2 1478 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [2,0,0,0,0,0|0,0,0]=2 1479 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [2,0,0,0,0,0|2,0,0]=4 1480 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [2,0,0,0,0,0|2,0,0]=4 1481 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [2,0,0,0,0,0|2,0,0]=4 1482 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [2,0,0,0,0,0|2,0,0]=4 1483 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [2,0,0,0,0,0|2,0,0]=4 1484 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [2,0,0,0,0,0|2,0,0]=4 1485 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [2,0,0,0,0,0|2,0,0]=4 1486 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [2,0,0,0,0,0|2,0,0]=4 1487 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [2,0,0,0,0,0|2,0,0]=4 1488 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [2,0,0,0,0,0|2,0,0]=4 1489 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [2,0,0,0,0,0|2,0,0]=4 1490 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [2,0,0,0,0,0|2,0,0]=4 1491 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [2,0,0,0,0,0|1,0,1]=4 1492 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [2,0,0,0,0,0|2,0,0]=4 1493 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [2,0,0,0,0,0|2,0,0]=4 1494 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [2,0,0,0,0,0|2,0,0]=4 1495 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [2,0,0,0,0,0|2,0,0]=4 1496 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [2,0,0,0,0,0|2,0,0]=4 1497 B9R1.12 CNCCn1cncn1 2230a_106832991635_100000731791 [2,0,0,0,0,0|1,0,1]=4 1498 B9R1.12 CNCCn1cncn1 2230a_200000738561_200000210301 [2,0,0,0,0,0|1,0,1]=4 1499 B9R1.12 CNCCn1cncn1 34a_100102657272_200000749826 [2,0,0,0,0,0|1,0,1]=4 1500 B9R1.12 CNCCn1cncn1 7a_106832991635_100000731791 [2,0,0,0,0,0|1,0,1]=4 1501 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [2,0,0,0,0,0|2,0,0]=4 1502 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [2,0,0,0,0,0|2,0,0]=4 1503 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [2,0,0,0,0,0|1,0,0]=3 1504 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [2,0,0,0,0,0|1,0,0]=3 1505 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [2,0,0,0,0,0|2,0,0]=4 1506 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [2,0,0,0,0,0|2,0,0]=4 1507 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [2,0,0,0,0,0|1,0,0]=3 1508 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [2,0,0,0,0,0|1,0,0]=3 1509 B9R1.12 O=CCSc1c[nH]nn1 62a_100009819707_200015260668 [2,0,0,0,0,0|2,0,0]=4 1510 B9R1.12 O=CCSc1c[nH]nn1 62a_200015260668_100009819707 [2,0,0,0,0,0|2,0,0]=4 1511 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [2,0,0,0,0,0|2,0,0]=4 1512 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [2,0,0,0,0,0|2,0,0]=4 1513 B9R1.12 O=CCSc1nc[nH]n1 62a_100000761765_200015260668 [2,0,0,0,0,0|2,0,0]=4 1514 B9R1.12 O=CCSc1nc[nH]n1 62a_200015260668_100000761765 [2,0,0,0,0,0|2,0,0]=4 1515 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [2,0,0,0,0,0|2,0,0]=4 1516 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [2,0,0,0,0,0|2,0,0]=4 1517 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [2,0,0,0,0,0|2,0,0]=4 1518 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [2,0,0,0,0,0|2,0,0]=4 1519 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [2,0,0,0,0,0|2,0,0]=4 1520 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [2,0,0,0,0,0|2,0,0]=4 1521 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [2,0,0,0,0,0|2,0,0]=4 1522 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [2,0,0,0,0,0|1,0,1]=4 1523 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [2,0,0,0,0,0|2,0,0]=4 1524 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [2,0,0,0,0,0|2,0,0]=4 1525 B9R1.12 [13CH3]NCCn1cncn1 2230a_200000738561_200025704644 [2,0,0,0,0,0|1,0,1]=4 1526 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [2,0,0,0,0,0|1,0,0]=3 1527 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [2,0,0,0,0,0|1,0,0]=3 1528 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100000183196_100000187820 [0,1,1,0,0,0|2,0,0]=4 1529 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100134613110_100000189650 [0,1,1,0,0,0|2,0,0]=4 1530 B11R0.145 CNC(=O)C(=O)CCNC(=O)C 1458a_100011218921_100000189650 [0,1,1,0,0,0|1,0,1]=4 1531 B11R0.147 C=CC=CC(=O)CCNC(=O)C 1458a_100016291481_100000189650 [0,1,1,0,0,0|2,0,0]=4 1532 B11R1.4 C/C=C/COCc1c[nH]cn1 34a_100016270725_100000707719 [1,1,0,0,0,0|1,0,0]=3 1533 B11R1.4 C/C=C/COCc1cscn1 34a_100016270725_100000205941 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.4 C/C=C/CSCc1c[nH]cn1 62a_100000707719_100102629194 [1,1,0,0,0,0|1,0,0]=3 1535 B11R1.4 C/C=C/CSCc1c[nH]cn1 62a_100102629194_100000707719 [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.4 C/C=C/CSCc1cscn1 62a_100000205941_100102629194 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.4 C/C=C/CSCc1cscn1 62a_100102629194_100000205941 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.4 C=CCCCSc1c[nH]cn1 62a_100000756875_100000757094 [1,1,0,0,0,0|1,0,1]=4 1539 B11R1.4 C=CCCCSc1c[nH]cn1 62a_100011713584_100000756875 [1,1,0,0,0,0|1,0,1]=4 1540 B11R1.4 C=CCCNCc1c[nH]cn1 2230a_100015191253_100000707719 [1,1,0,0,0,0|1,0,1]=4 1541 B11R1.4 C=CCCOCc1c[nH]cn1 34a_100011205117_100000707719 [1,1,0,0,0,0|1,0,1]=4 1542 B11R1.4 C=CCCSCc1c[nH]cn1 62a_100000707719_100000754431 [1,1,0,0,0,0|1,0,1]=4 1543 B11R1.4 C=CCCSCc1c[nH]cn1 62a_100000754431_100000707719 [1,1,0,0,0,0|1,0,1]=4 1544 B11R1.4 C=CCNCCc1c[nH]cn1 2230a_100020586998_100020628418 [1,1,0,0,0,0|0,0,1]=3 1545 B11R1.4 C=CCSCCc1c[nH]cn1 62a_100000210623_100020628418 [1,1,0,0,0,0|1,0,1]=4 1546 B11R1.4 C=CCSCCc1c[nH]cn1 62a_100020628418_100000210623 [1,1,0,0,0,0|1,0,1]=4 1547 B11R1.4 C=COCCSc1c[nH]cn1 62a_100000039644_100000756875 [1,1,0,0,0,0|1,0,1]=4 1548 B11R1.4 C=COCCSc1c[nH]cn1 62a_100000756875_100000039644 [1,1,0,0,0,0|1,0,1]=4 1549 B11R1.4 CC#CCNCc1c[nH]cn1 2230a_100000685387_100000707719 [1,1,0,0,0,0|1,0,1]=4 1550 B11R1.4 CC#CCNCc1c[nH]cn1 34a_100000685387_100000707719 [1,1,0,0,0,0|1,0,1]=4 1551 B11R1.4 CC#CCOCc1c[nH]cn1 34a_100000761923_100000707719 [1,1,0,0,0,0|1,0,1]=4 1552 B11R1.4 CC#CCSCc1c[nH]cn1 62a_100000707719_100000748600 [1,1,0,0,0,0|1,0,1]=4 1553 B11R1.4 CC#CCSCc1c[nH]cn1 62a_100000748600_100000707719 [1,1,0,0,0,0|1,0,1]=4 1554 B11R1.4 CC/C=C\CSc1c[nH]cn1 62a_100000756875_100103147603 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.4 CC/C=C\CSc1c[nH]cn1 62a_100103147603_100000756875 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.4 CC=CCNCc1cscn1 2230a_100015185402_100000070051 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.4 CC=CCSCc1c[nH]cn1 62a_100000070051_100000707719 [1,1,0,0,0,0|1,0,0]=3 1558 B11R1.4 CC=CCSCc1c[nH]cn1 62a_100000707719_100000070051 [1,1,0,0,0,0|1,0,0]=3 1559 B11R1.4 CC=CCSCc1cscn1 62a_100000070051_100000205941 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.4 CC=CCSCc1cscn1 62a_100000205941_100000070051 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [1,1,0,0,0,0|1,0,1]=4 1562 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [1,1,0,0,0,0|1,0,1]=4 1563 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [1,1,0,0,0,0|1,0,1]=4 1564 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [1,1,0,0,0,0|1,0,1]=4 1565 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [1,1,0,0,0,0|1,0,1]=4 1566 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [1,1,0,0,0,0|1,0,1]=4 1567 B11R1.4 CCCSCCc1c[nH]cn1 62a_100000210303_100020628418 [1,1,0,0,0,0|1,0,1]=4 1568 B11R1.4 CCCSCCc1c[nH]cn1 62a_100020628418_100000210303 [1,1,0,0,0,0|1,0,1]=4 1569 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000210147_100000756875 [1,1,0,0,0,0|1,0,1]=4 1570 B11R1.4 CCOCCSc1c[nH]cn1 62a_100000756875_100011215890 [1,1,0,0,0,0|1,0,1]=4 1571 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000707719_100000739092 [1,1,0,0,0,0|1,0,1]=4 1572 B11R1.4 CCOCSCc1c[nH]cn1 62a_100000739092_100000707719 [1,1,0,0,0,0|1,0,1]=4 1573 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000756875_100000757381 [1,1,0,0,0,0|1,0,1]=4 1574 B11R1.4 CCSCCSc1c[nH]cn1 62a_100000757381_100000756875 [1,1,0,0,0,0|1,0,1]=4 1575 B11R1.4 COCCCSc1c[nH]cn1 62a_100000709357_100000756875 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.4 COCCCSc1c[nH]cn1 62a_100000756875_100000709357 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.4 COCCNCc1c[nH]cn1 2230a_100000209980_100000707719 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.4 COCCOCc1c[nH]cn1 34a_100000210237_100000707719 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.4 COCCSCc1c[nH]cn1 62a_100000233755_100000707719 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.4 COCCSCc1c[nH]cn1 62a_100000707719_100000233755 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.4 COCSCCc1c[nH]cn1 62a_100000766300_100020628418 [1,1,0,0,0,0|1,0,1]=4 1582 B11R1.4 COCSCCc1c[nH]cn1 62a_100020628418_100000766300 [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.4 CSCCNCc1c[nH]cn1 2230a_100020590264_100000707719 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.4 CSCCOCc1c[nH]cn1 34a_100000230434_100000707719 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000212216_100000707719 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.4 CSCCSCc1c[nH]cn1 62a_100000707719_100000751147 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.4 CSCSCCc1c[nH]cn1 62a_100011218213_100020628418 [1,1,0,0,0,0|1,0,1]=4 1588 B11R1.4 CSCSCCc1c[nH]cn1 62a_100020628418_100011218213 [1,1,0,0,0,0|1,0,1]=4 1589 B11R1.4 FCCSCCc1c[nH]cn1 62a_100011217306_100020628418 [1,1,0,0,0,0|1,0,1]=4 1590 B11R1.4 FCCSCCc1c[nH]cn1 62a_100020628418_100011217306 [1,1,0,0,0,0|1,0,1]=4 1591 B11R1.4 O=CCCCSc1c[nH]cn1 62a_100000756875_200011292268 [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.4 O=CCCCSc1c[nH]cn1 62a_200011292268_100000756875 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.4 O=CCCCSc1c[nH]nn1 62a_100009819707_200011292268 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.4 O=CCCCSc1c[nH]nn1 62a_200011292268_100009819707 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.4 O=CCCCSc1cscn1 62a_100000751502_200011292268 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.4 O=CCCCSc1cscn1 62a_200011292268_100000751502 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.4 O=CCCCSc1nc[nH]n1 62a_100000761765_200011292268 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.4 O=CCCCSc1nc[nH]n1 62a_200011292268_100000761765 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.4 O=CCNCCc1ccsc1 2230a_100000692642_200015260668 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.4 O=CCNCCc1ccsc1 34a_100000692642_200009817547 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.4 O=CCNCCc1cn[nH]c1 2230a_100000732747_200015260668 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.4 O=CCNCCc1cncs1 2230a_100016991637_200015260668 [1,1,0,0,0,0|1,0,1]=4 1607 B11R1.4 O=CCNCCc1nccs1 2230a_100015186391_200015260668 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.4 O=CCNCCn1cccn1 2230a_100011200920_200015260668 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.4 O=CCNCCn1cncn1 2230a_200000738561_200015260668 [1,1,0,0,0,0|1,0,1]=4 1610 B11R1.4 O=CCSCCc1c[nH]cn1 62a_100020628418_200015260668 [1,1,0,0,0,0|1,0,0]=3 1611 B11R1.4 O=CCSCCc1c[nH]cn1 62a_200015260668_100020628418 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.4 OCCNCCc1c[nH]cn1 2230a_100016997473_100020628418 [1,1,0,0,0,0|0,0,1]=3 1613 B11R1.4 OCCSCCc1c[nH]cn1 62a_100000211926_100020628418 [1,1,0,0,0,0|1,0,1]=4 1614 B11R1.4 OCCSCCc1c[nH]cn1 62a_100020628418_100000211926 [1,1,0,0,0,0|1,0,1]=4 1615 B11R1.25 C=CC(=O)CCc1c[nH]cn1 1458a_100000185746_100020628418 [1,1,0,0,0,0|1,0,1]=4 1616 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [1,1,0,0,0,0|1,0,1]=4 1617 B11R1.25 CCN(C)CCc1c[nH]cn1 2230a_100000225621_100020628418 [1,1,0,0,0,0|0,0,1]=3 1618 B11R1.25 CCN(C)CCc1c[nH]cn1 269982a_100000225621_100020628418 [1,1,0,0,0,0|0,0,1]=3 1619 B11R1.27 C/C=C/CSc1c[nH]c(n1)C 62a_100009814057_100102629194 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.27 C/C=C/CSc1c[nH]c(n1)C 62a_100102629194_100009814057 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.27 C/C=C/CSc1cn(cn1)C 62a_100000040308_100102629194 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.27 C/C=C/CSc1cn(cn1)C 62a_100102629194_100000040308 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.27 CC=CCSc1c[nH]c(n1)C 62a_100000070051_100009814057 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.27 CC=CCSc1c[nH]c(n1)C 62a_100009814057_100000070051 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.27 CC=CCSc1cn(cn1)C 62a_100000040308_100000070051 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.27 CC=CCSc1cn(cn1)C 62a_100000070051_100000040308 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.27 CCNCCc1csc(n1)C 2230a_100015525214_100000695623 [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.27 CCNCCc1csc(n1)C 2230a_102495365028_100000210202 [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.27 CCNCCc1csc(n1)C 34a_102495365028_100000210202 [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.27 Cn1cnc(c1)COCC=O 34a_100000710007_200009817547 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.27 Cn1cnc(c1)CSCC=O 62a_100000717665_200015260668 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.27 Cn1cnc(c1)CSCC=O 62a_200015260668_100000717665 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.30 CC=CC(=O)Cc1c[nH]cn1 1458a_100000210699_100000707719 [1,1,0,0,0,0|1,0,1]=4 1634 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [1,1,0,0,0,0|0,0,2]=4 1635 B11R1.30 CNNC(=O)Cc1c[nH]cn1 22a_100016993582_100015291406 [1,1,0,0,0,0|1,0,1]=4 1636 B11R1.180 C/C=C/CSc1nc[nH]c1C 62a_100010186451_100102629194 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.180 C/C=C/CSc1nc[nH]c1C 62a_100102629194_100010186451 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.180 CC=CCSc1nc[nH]c1C 62a_100000070051_100010186451 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.180 CC=CCSc1nc[nH]c1C 62a_100010186451_100000070051 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_100000751220_200015260668 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.180 Cc1[nH]cnc1CSCC=O 62a_200015260668_100000751220 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.35 C=C(C)C(=O)Cc1c[nH]cn1 1458a_100000185857_100000707719 [0,1,0,0,1,0|1,0,1]=4 1643 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,1,0|2,0,0]=4 1644 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,1,0|1,0,0]=3 1645 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,1,0|1,0,0]=3 1646 B11R1.35 CC(=O)C(C)Sc1c[nH]nn1 62a_100009814033_100009819707 [0,1,0,0,1,0|2,0,0]=4 1647 B11R1.35 CC(=O)C(C)Sc1c[nH]nn1 62a_100009819707_100009814033 [0,1,0,0,1,0|2,0,0]=4 1648 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100000751502_100009814033 [0,1,0,0,1,0|2,0,0]=4 1649 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100009814033_100000751502 [0,1,0,0,1,0|2,0,0]=4 1650 B11R1.35 CC(=O)C(C)Sc1nc[nH]n1 62a_100000761765_100009814033 [0,1,0,0,1,0|2,0,0]=4 1651 B11R1.35 CC(=O)C(C)Sc1nc[nH]n1 62a_100009814033_100000761765 [0,1,0,0,1,0|2,0,0]=4 1652 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,1,0|2,0,0]=4 1653 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,1,0|2,0,0]=4 1654 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,1,0|2,0,0]=4 1655 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,1,0|2,0,0]=4 1656 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,1,0|2,0,0]=4 1657 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,1,0|2,0,0]=4 1658 B11R1.35 CC(=O)N(C)Cc1ccon1 11a_100000757864_100015343762 [0,1,0,0,1,0|2,0,0]=4 1659 B11R1.35 CC(=O)N(C)Cc1ccon1 240690a_100000757864_100015343762 [0,1,0,0,1,0|2,0,0]=4 1660 B11R1.35 CC(=O)N(C)Cc1ccon1 527a_100000757864_100103153847 [0,1,0,0,1,0|2,0,0]=4 1661 B11R1.35 CC(=O)N(C)Cc1ccsc1 11a_100020654213_100015343762 [0,1,0,0,1,0|2,0,0]=4 1662 B11R1.35 CC(=O)N(C)Cc1ccsc1 240690a_100020654213_100015343762 [0,1,0,0,1,0|2,0,0]=4 1663 B11R1.35 CC(=O)N(C)Cc1ccsc1 527a_100020654213_100103153847 [0,1,0,0,1,0|2,0,0]=4 1664 B11R1.35 CC(=O)N(C)Cc1cscn1 11a_100000225794_100015343762 [0,1,0,0,1,0|1,0,0]=3 1665 B11R1.35 CC(=O)N(C)Cc1cscn1 240690a_100000225794_100015343762 [0,1,0,0,1,0|1,0,0]=3 1666 B11R1.35 CC(=O)N(C)Cc1cscn1 527a_100000225794_100103153847 [0,1,0,0,1,0|1,0,0]=3 1667 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 11a_100015184136_100015343762 [0,1,0,0,1,0|2,0,0]=4 1668 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 240690a_100015184136_100015343762 [0,1,0,0,1,0|2,0,0]=4 1669 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 527a_100015184136_100103153847 [0,1,0,0,1,0|2,0,0]=4 1670 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,1,0,0,1,0|2,0,0]=4 1671 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,1,0,0,1,0|2,0,0]=4 1672 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,1,0,0,1,0|2,0,0]=4 1673 B11R1.35 CC(C)N(C)Cc1c[nH]cn1 269982a_200000211004_100000707719 [0,1,0,0,1,0|1,0,1]=4 1674 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,1,0|2,0,0]=4 1675 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000702099_100000756875 [0,1,0,0,1,0|2,0,0]=4 1676 B11R1.35 CC(Sc1c[nH]cn1)C(=O)N 62a_100000756875_100000702099 [0,1,0,0,1,0|2,0,0]=4 1677 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100000756875_100009813875 [0,1,0,0,1,0|2,0,0]=4 1678 B11R1.35 NC(=O)C(F)Sc1c[nH]cn1 62a_100009813875_100000756875 [0,1,0,0,1,0|2,0,0]=4 1679 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100000756875_100020610796 [0,1,0,0,1,0|2,0,0]=4 1680 B11R1.35 O=C([O-])C(F)Sc1c[nH]cn1 62a_100020610796_100000756875 [0,1,0,0,1,0|2,0,0]=4 1681 B11R1.75 C=C(C)CSc1c[nH]c(n1)C 62a_100000748629_100009814057 [0,1,0,0,1,0|2,0,0]=4 1682 B11R1.75 C=C(C)CSc1c[nH]c(n1)C 62a_100009814057_100000211660 [0,1,0,0,1,0|2,0,0]=4 1683 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000040308_100000211660 [0,1,0,0,1,0|2,0,0]=4 1684 B11R1.75 C=C(C)CSc1cn(cn1)C 62a_100000748629_100000040308 [0,1,0,0,1,0|2,0,0]=4 1685 B11R1.75 CC(=O)CCc1cnn(c1)C 1458a_100000743273_200000210301 [0,1,0,0,1,0|2,0,0]=4 1686 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,1,0|1,0,0]=3 1687 B11R1.75 CC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_200000210301 [0,1,0,0,1,0|1,0,0]=3 1688 B11R1.75 CC(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200000210301 [0,1,0,0,1,0|1,0,1]=4 1689 B11R1.75 CC(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200000210301 [0,1,0,0,1,0|1,0,1]=4 1690 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,1,0|2,0,0]=4 1691 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,1,0|2,0,0]=4 1692 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,1,0|2,0,0]=4 1693 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,1,0|2,0,0]=4 1694 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,1,0|2,0,0]=4 1695 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,1,0|2,0,0]=4 1696 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 1697 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 1698 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 1699 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,1,0|2,0,0]=4 1700 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 1701 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 1702 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 1703 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,1,0|2,0,0]=4 1704 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,1,0,0,1,0|2,0,0]=4 1705 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,1,0,0,1,0|2,0,0]=4 1706 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,1,0,0,1,0|2,0,0]=4 1707 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,1,0|2,0,0]=4 1708 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,1,0|2,0,0]=4 1709 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,1,0|2,0,0]=4 1710 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,1,0|2,0,0]=4 1711 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,1,0|2,0,0]=4 1712 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,1,0|2,0,0]=4 1713 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,1,0|2,0,0]=4 1714 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,1,0|2,0,0]=4 1715 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 1716 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 1717 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 1718 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,1,0|2,0,0]=4 1719 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 1720 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 1721 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 1722 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,1,0|2,0,0]=4 1723 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 1724 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 1725 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 1726 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,1,0|2,0,0]=4 1727 B11R1.75 CC(=O)NCc1ccn(n1)C 11a_100020636201_100015343762 [0,1,0,0,1,0|2,0,0]=4 1728 B11R1.75 CC(=O)NCc1ccn(n1)C 240690a_100020636201_100015343762 [0,1,0,0,1,0|2,0,0]=4 1729 B11R1.75 CC(=O)NCc1ccn(n1)C 527a_100020636201_100103153847 [0,1,0,0,1,0|2,0,0]=4 1730 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,1,0|0,0,0]=2 1731 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,1,0|0,0,0]=2 1732 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,1,0|0,0,0]=2 1733 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,1,0|0,0,0]=2 1734 B11R1.75 CC(=O)NCc1cn(nn1)C 274090a_200000210301_100000175883 [0,1,0,0,1,0|1,0,0]=3 1735 B11R1.75 CC(=O)NCc1cn(nn1)[13CH3] 274090a_200025704644_100000175883 [0,1,0,0,1,0|1,0,0]=3 1736 B11R1.75 CC(=O)NCc1cnc(s1)Br 11a_100000726991_100015343762 [0,1,0,0,1,0|1,0,1]=4 1737 B11R1.75 CC(=O)NCc1cnc(s1)Br 240690a_100000726991_100015343762 [0,1,0,0,1,0|1,0,1]=4 1738 B11R1.75 CC(=O)NCc1cnc(s1)Br 527a_100000726991_100103153847 [0,1,0,0,1,0|1,0,1]=4 1739 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,1,0,0,1,0|1,0,1]=4 1740 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,1,0,0,1,0|1,0,1]=4 1741 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,1,0,0,1,0|1,0,1]=4 1742 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,1,0,0,1,0|1,0,1]=4 1743 B11R1.75 CC(=O)NCc1cnc(s1)Cl 11a_100000726635_100015343762 [0,1,0,0,1,0|1,0,1]=4 1744 B11R1.75 CC(=O)NCc1cnc(s1)Cl 1626a_100000726635_100015343762 [0,1,0,0,1,0|1,0,1]=4 1745 B11R1.75 CC(=O)NCc1cnc(s1)Cl 240690a_100000726635_100015343762 [0,1,0,0,1,0|1,0,1]=4 1746 B11R1.75 CC(=O)NCc1cnc(s1)Cl 527a_100000726635_100103153847 [0,1,0,0,1,0|1,0,1]=4 1747 B11R1.75 CC(=O)NCc1cnn(c1)C 11a_100000744365_100015343762 [0,1,0,0,1,0|2,0,0]=4 1748 B11R1.75 CC(=O)NCc1cnn(c1)C 240690a_100000744365_100015343762 [0,1,0,0,1,0|2,0,0]=4 1749 B11R1.75 CC(=O)NCc1cnn(c1)C 527a_100000744365_100103153847 [0,1,0,0,1,0|2,0,0]=4 1750 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,0,1,0|1,0,0]=3 1751 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,0,1,0|1,0,0]=3 1752 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,0,1,0|1,0,0]=3 1753 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,0,1,0|1,0,0]=3 1754 B11R1.75 CC(=O)NCc1n[nH]c(=O)[nH]1 240690a_100000766346_100015343762 [0,1,0,0,1,0|1,0,1]=4 1755 B11R1.75 CC(=O)NCc1n[nH]c(=O)[nH]1 527a_100000766346_100103153847 [0,1,0,0,1,0|1,0,1]=4 1756 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 11a_100000752542_100015343762 [0,1,0,0,1,0|1,0,0]=3 1757 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 240690a_100000752542_100015343762 [0,1,0,0,1,0|1,0,0]=3 1758 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 527a_100000752542_100103153847 [0,1,0,0,1,0|1,0,0]=3 1759 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,1,0,0,1,0|2,0,0]=4 1760 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,1,0,0,1,0|2,0,0]=4 1761 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,1,0,0,1,0|2,0,0]=4 1762 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,1,0,0,1,0|2,0,0]=4 1763 B11R1.75 CC(=O)NCc1nc(no1)C 270196a_100000212224_100000194580 [0,1,0,0,1,0|1,0,1]=4 1764 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 1765 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 1766 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,1,0|2,0,0]=4 1767 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,1,0|2,0,0]=4 1768 B11R1.75 CC(=O)NCc1ncc(s1)Br 11a_100016991807_100015343762 [0,1,0,0,1,0|2,0,0]=4 1769 B11R1.75 CC(=O)NCc1ncc(s1)Br 240690a_100016991807_100015343762 [0,1,0,0,1,0|2,0,0]=4 1770 B11R1.75 CC(=O)NCc1ncc(s1)Br 527a_100016991807_100103153847 [0,1,0,0,1,0|2,0,0]=4 1771 B11R1.75 CC(=O)NCc1ncn(n1)C 11a_100000695864_100015343762 [0,1,0,0,1,0|1,0,0]=3 1772 B11R1.75 CC(=O)NCc1ncn(n1)C 1626a_100000695864_100015343762 [0,1,0,0,1,0|1,0,0]=3 1773 B11R1.75 CC(=O)NCc1ncn(n1)C 240690a_100000695864_100015343762 [0,1,0,0,1,0|1,0,0]=3 1774 B11R1.75 CC(=O)NCc1ncn(n1)C 527a_100000695864_100103153847 [0,1,0,0,1,0|1,0,0]=3 1775 B11R1.75 CC(=O)NCc1noc(n1)C 11a_100000756492_100015343762 [0,1,0,0,1,0|2,0,0]=4 1776 B11R1.75 CC(=O)NCc1noc(n1)C 240690a_100000756492_100015343762 [0,1,0,0,1,0|2,0,0]=4 1777 B11R1.75 CC(=O)NCc1noc(n1)C 527a_100000756492_100103153847 [0,1,0,0,1,0|2,0,0]=4 1778 B11R1.75 CC(=O)OCc1cn(nn1)C 274090a_200000210301_100000006626 [0,1,0,0,1,0|2,0,0]=4 1779 B11R1.75 CC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_100000006626 [0,1,0,0,1,0|2,0,0]=4 1780 B11R1.75 CC(=O)SCc1cn(nn1)C 274090a_200000210301_100044875725 [0,1,0,0,1,0|2,0,0]=4 1781 B11R1.75 CC(=O)SCc1cn(nn1)[13CH3] 274090a_200025704644_100044875725 [0,1,0,0,1,0|2,0,0]=4 1782 B11R1.75 CC(C)NCc1cn(cn1)C 207a_100138425928_100000684808 [0,1,0,0,1,0|1,0,1]=4 1783 B11R1.75 CC(C)NCc1cn(cn1)C 2230a_100138425928_100000717665 [0,1,0,0,1,0|1,0,1]=4 1784 B11R1.75 CC(C)NCc1cn(cn1)C 34a_100138425928_100000717665 [0,1,0,0,1,0|1,0,1]=4 1785 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,1,0|2,0,0]=4 1786 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,1,0|2,0,0]=4 1787 B11R1.75 Cc1nc(c[nH]1)CNC(C)C 207a_100138425928_100011219055 [0,1,0,0,1,0|1,0,1]=4 1788 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100000747473_100009814057 [0,1,0,0,1,0|2,0,0]=4 1789 B11R1.75 Cc1nc(c[nH]1)SCC(=O)N 62a_100009814057_100000747473 [0,1,0,0,1,0|2,0,0]=4 1790 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100009814057_100020667443 [0,1,0,0,1,0|2,0,0]=4 1791 B11R1.75 Cc1nc(c[nH]1)SCC(=O)[O-] 62a_100020667443_100009814057 [0,1,0,0,1,0|2,0,0]=4 1792 B11R1.75 Cc1nc(n[nH]1)CCC(=O)[13CH3] 1458a_102515433058_200025704644 [0,1,0,0,1,0|1,0,0]=3 1793 B11R1.75 Cn1cc(cn1)CCC(=O)[13CH3] 1458a_100000743273_200025704644 [0,1,0,0,1,0|2,0,0]=4 1794 B11R1.75 Cn1cc(nn1)CCC(=O)O 274090a_200000210301_100000692101 [0,1,0,0,1,0|2,0,0]=4 1795 B11R1.75 Cn1cc(nn1)CNC(=O)N 274090a_200000210301_100000238980 [0,1,0,0,1,0|2,0,0]=4 1796 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000040308_100000747473 [0,1,0,0,1,0|2,0,0]=4 1797 B11R1.75 Cn1cnc(c1)SCC(=O)N 62a_100000747473_100000040308 [0,1,0,0,1,0|2,0,0]=4 1798 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100000040308_100020667443 [0,1,0,0,1,0|2,0,0]=4 1799 B11R1.75 Cn1cnc(c1)SCC(=O)[O-] 62a_100020667443_100000040308 [0,1,0,0,1,0|2,0,0]=4 1800 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200025704644 [0,1,0,0,1,0|1,0,1]=4 1801 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200025704644 [0,1,0,0,1,0|1,0,1]=4 1802 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,1,0|2,0,0]=4 1803 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,1,0|2,0,0]=4 1804 B11R1.75 [13CH3]n1cc(nn1)CCC(=O)O 274090a_200025704644_100000692101 [0,1,0,0,1,0|2,0,0]=4 1805 B11R1.75 [13CH3]n1cc(nn1)CNC(=O)N 274090a_200025704644_100000238980 [0,1,0,0,1,0|2,0,0]=4 1806 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,1,0|2,0,0]=4 1807 B11R1.77 CC(=O)CC(C)n1cncn1 1458a_100000070787_200015185000 [0,1,0,0,1,0|1,0,1]=4 1808 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 1809 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 1810 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 1811 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,1,0|2,0,0]=4 1812 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [0,1,0,0,1,0|2,0,0]=4 1813 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [0,1,0,0,1,0|2,0,0]=4 1814 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [0,1,0,0,1,0|2,0,0]=4 1815 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [0,1,0,0,1,0|2,0,0]=4 1816 B11R1.77 CC(=O)NC(C)c1ccsc1 11a_100000748604_100015343762 [0,1,0,0,1,0|2,0,0]=4 1817 B11R1.77 CC(=O)NC(C)c1ccsc1 1626a_100000748604_100015343762 [0,1,0,0,1,0|2,0,0]=4 1818 B11R1.77 CC(=O)NC(C)c1ccsc1 240690a_100000748604_100015343762 [0,1,0,0,1,0|2,0,0]=4 1819 B11R1.77 CC(=O)NC(C)c1ccsc1 527a_100000748604_100103153847 [0,1,0,0,1,0|2,0,0]=4 1820 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,1,0,0,1,0|2,0,0]=4 1821 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,1,0,0,1,0|2,0,0]=4 1822 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,1,0,0,1,0|2,0,0]=4 1823 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,1,0,0,1,0|2,0,0]=4 1824 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,1,0|2,0,0]=4 1825 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,1,0|2,0,0]=4 1826 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,1,0|2,0,0]=4 1827 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,1,0|2,0,0]=4 1828 B11R1.77 CC(C)C[C@H](N)c1c[nH]cn1 271570a_100015190218_100000756875 [0,1,0,0,1,0|1,0,1]=4 1829 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,1,0|2,0,0]=4 1830 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100000748629_100010186451 [0,1,0,0,1,0|2,0,0]=4 1831 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100010186451_100000211660 [0,1,0,0,1,0|2,0,0]=4 1832 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,1,0|2,0,0]=4 1833 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,1,0|1,0,1]=4 1834 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,1,0|1,0,1]=4 1835 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,1,0|2,0,0]=4 1836 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,1,0|2,0,0]=4 1837 B11R1.90 CC(=O)NCc1c[nH]nc1C 240690a_100000737071_100015343762 [0,1,0,0,1,0|2,0,0]=4 1838 B11R1.90 CC(=O)NCc1c[nH]nc1C 527a_100000737071_100103153847 [0,1,0,0,1,0|2,0,0]=4 1839 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,1,0|1,0,1]=4 1840 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,1,0|1,0,1]=4 1841 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,1,0|1,0,1]=4 1842 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,1,0|1,0,1]=4 1843 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,1,0,0,1,0|2,0,0]=4 1844 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,1,0,0,1,0|2,0,0]=4 1845 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,1,0,0,1,0|2,0,0]=4 1846 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,1,0,0,1,0|2,0,0]=4 1847 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,1,0,0,1,0|0,0,2]=4 1848 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,1,0,0,1,0|0,0,2]=4 1849 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,1,0,0,1,0|0,0,2]=4 1850 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,1,0,0,1,0|2,0,0]=4 1851 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,1,0,0,1,0|2,0,0]=4 1852 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,1,0,0,1,0|2,0,0]=4 1853 B11R1.90 CC(=O)NCc1nonc1C 11a_100000756898_100015343762 [0,1,0,0,1,0|1,0,1]=4 1854 B11R1.90 CC(=O)NCc1nonc1C 1626a_100000756898_100015343762 [0,1,0,0,1,0|1,0,1]=4 1855 B11R1.90 CC(=O)NCc1nonc1C 240690a_100000756898_100015343762 [0,1,0,0,1,0|1,0,1]=4 1856 B11R1.90 CC(=O)NCc1nonc1C 527a_100000756898_100103153847 [0,1,0,0,1,0|1,0,1]=4 1857 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 1858 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 1859 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 1860 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,1,0|2,0,0]=4 1861 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 1862 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 1863 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 1864 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,1,0|2,0,0]=4 1865 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,1,0,0,1,0|1,0,1]=4 1866 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,1,0,0,1,0|1,0,1]=4 1867 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,1,0,0,1,0|1,0,1]=4 1868 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,1,0,0,1,0|1,0,1]=4 1869 B11R1.90 Cc1[nH]cnc1CNC(C)C 207a_100138425928_100000032982 [0,1,0,0,1,0|1,0,1]=4 1870 B11R1.90 Cc1[nH]cnc1CNC(C)C 2230a_100138425928_100000751220 [0,1,0,0,1,0|1,0,1]=4 1871 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100000747473_100010186451 [0,1,0,0,1,0|2,0,0]=4 1872 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100010186451_100000747473 [0,1,0,0,1,0|2,0,0]=4 1873 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100010186451_100020667443 [0,1,0,0,1,0|2,0,0]=4 1874 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100020667443_100010186451 [0,1,0,0,1,0|2,0,0]=4 1875 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,1,0|2,0,0]=4 1876 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,1,0|1,0,1]=4 1877 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,1,0|2,0,0]=4 1878 B11R1.510 CC(C)(C)NCc1c[nH]cn1 2230a_100000715429_100000707719 [0,1,0,0,1,0|1,0,1]=4 1879 B11R1.510 CS(=O)(=O)NCc1c[nH]nn1 40a_100020620823_100000738038 [0,1,0,0,1,0|2,0,0]=4 1880 B11R1.510 CS(=O)(=O)NCc1cocn1 40a_100015188801_100000738038 [0,1,0,0,1,0|2,0,0]=4 1881 B11R1.510 CS(=O)(=O)NCc1cscn1 40a_100015185402_100000738038 [0,1,0,0,1,0|2,0,0]=4 1882 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 1883 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 1884 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 1885 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,1,0,0,0,1|2,0,0]=4 1886 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,0,0,0,1|2,0,0]=4 1887 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,0,0,0,1|2,0,0]=4 1888 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,1,0,0,0,1|1,0,0]=3 1889 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,1,0,0,0,1|1,0,0]=3 1890 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,1,0,0,0,1|1,0,0]=3 1891 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,1,0,0,0,1|1,0,0]=3 1892 B13R1.149 CC(=O)CCSc1cc(=O)[nH]cn1 62a_100012002517_100000053229 [0,1,0,0,0,1|2,0,0]=4 1893 B13R1.149 CC(=O)CCSc1cc[nH]c(=O)n1 62a_100000053229_200000134032 [0,1,0,0,0,1|2,0,0]=4 1894 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 1895 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 1896 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 1897 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,1,0,0,0,1|2,0,0]=4 1898 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 1899 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 1900 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 1901 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,1,0,0,0,1|2,0,0]=4 1902 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 1903 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 1904 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 1905 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,1,0,0,0,1|2,0,0]=4 1906 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 1907 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 1908 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 1909 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,1,0,0,0,1|2,0,0]=4 1910 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,1,0,0,0,1|2,0,0]=4 1911 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,1,0,0,0,1|2,0,0]=4 1912 B13R1.149 CC(=O)NCCc1cccc(n1)C 11a_100011824523_100015343762 [0,1,0,0,0,1|1,0,0]=3 1913 B13R1.149 CC(=O)NCCc1cccc(n1)C 1626a_100011824523_100015343762 [0,1,0,0,0,1|1,0,0]=3 1914 B13R1.149 CC(=O)NCCc1cccc(n1)C 240690a_100011824523_100015343762 [0,1,0,0,0,1|1,0,0]=3 1915 B13R1.149 CC(=O)NCCc1cccc(n1)C 527a_100011824523_100103153847 [0,1,0,0,0,1|1,0,0]=3 1916 B13R1.149 CC(=O)OCSc1cc(=O)[nH]cn1 62a_100012002517_100000076356 [0,1,0,0,0,1|2,0,0]=4 1917 B13R1.149 CC(=O)OCSc1cc[nH]c(=O)n1 62a_100000076356_200000134032 [0,1,0,0,0,1|2,0,0]=4 1918 B13R1.158 CC(=O)CCSc1ncc[nH]c1=O 62a_100000053229_100000763361 [0,1,0,0,0,1|2,0,0]=4 1919 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 1920 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 1921 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 1922 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,0,0,0,1|2,0,0]=4 1923 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 1924 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 1925 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 1926 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,0,0,0,1|2,0,0]=4 1927 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 1928 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 1929 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 1930 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,0,0,0,1|2,0,0]=4 1931 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 1932 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 1933 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 1934 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,0,0,0,1|2,0,0]=4 1935 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,0,0,0,1|2,0,0]=4 1936 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,0,0,0,1|2,0,0]=4 1937 B13R1.158 CC(=O)OCSc1ncc[nH]c1=O 62a_100000076356_100000763361 [0,1,0,0,0,1|2,0,0]=4 1938 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,1,0,0,0,1|1,0,0]=3 1939 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,1,0,0,0,1|1,0,0]=3 1940 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,1,0,0,0,1|1,0,0]=3 1941 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,1,0,0,0,1|1,0,0]=3 1942 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,1,0,0,0,1|1,0,0]=3 1943 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,1,0,0,0,1|1,0,0]=3 1944 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,1,0,0,0,1|1,0,0]=3 1945 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,1,0,0,0,1|1,0,0]=3 1946 B13R1.348 CC(=O)NC(C)Cc1cnccn1 11a_100011277835_100015343762 [0,1,0,0,0,1|0,0,1]=3 1947 B13R1.348 CC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100015343762 [0,1,0,0,0,1|0,0,1]=3 1948 B13R1.348 CC(=O)NC(C)Cc1cnccn1 240690a_100011277835_100015343762 [0,1,0,0,0,1|0,0,1]=3 1949 B13R1.348 CC(=O)NC(C)Cc1cnccn1 527a_100011277835_100103153847 [0,1,0,0,0,1|0,0,1]=3 1950 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 1951 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 1952 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 1953 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,1|2,0,0]=4 1954 B13R1.351 CC(=O)N(C)CCc1ccccn1 11a_100000737206_100015343762 [0,1,0,0,0,1|1,0,0]=3 1955 B13R1.351 CC(=O)N(C)CCc1ccccn1 1626a_100000737206_100015343762 [0,1,0,0,0,1|1,0,0]=3 1956 B13R1.351 CC(=O)N(C)CCc1ccccn1 240690a_100000737206_100015343762 [0,1,0,0,0,1|1,0,0]=3 1957 B13R1.351 CC(=O)N(C)CCc1ccccn1 527a_100000737206_100103153847 [0,1,0,0,0,1|1,0,0]=3 1958 B13R1.351 CC(=O)N(C)CCc1cccnc1 11a_100000763209_100015343762 [0,1,0,0,0,1|1,0,0]=3 1959 B13R1.351 CC(=O)N(C)CCc1cccnc1 1626a_100000763209_100015343762 [0,1,0,0,0,1|1,0,0]=3 1960 B13R1.351 CC(=O)N(C)CCc1cccnc1 240690a_100000763209_100015343762 [0,1,0,0,0,1|1,0,0]=3 1961 B13R1.351 CC(=O)N(C)CCc1cccnc1 527a_100000763209_100103153847 [0,1,0,0,0,1|1,0,0]=3 1962 B13R1.351 CC(=O)N(C)CCc1ccncc1 11a_100000742850_100015343762 [0,1,0,0,0,1|1,0,1]=4 1963 B13R1.351 CC(=O)N(C)CCc1ccncc1 240690a_100000742850_100015343762 [0,1,0,0,0,1|1,0,1]=4 1964 B13R1.351 CC(=O)N(C)CCc1ccncc1 527a_100000742850_100103153847 [0,1,0,0,0,1|1,0,1]=4 1965 B13R1.513 CC(=O)CCSc1cnc(=O)[nH]c1 62a_100000053229_102495366499 [0,1,0,0,0,1|2,0,0]=4 1966 B13R1.513 CC(=O)CCSc1cnc(=O)[nH]c1 62a_102495366499_100000053229 [0,1,0,0,0,1|2,0,0]=4 1967 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 1968 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 1969 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 1970 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,1,0,0,0,1|2,0,0]=4 1971 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 1972 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 1973 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 1974 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,1,0,0,0,1|2,0,0]=4 1975 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 1976 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 1977 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 1978 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,1,0,0,0,1|2,0,0]=4 1979 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1980 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1981 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 1982 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,1,0,0,0,1|2,0,0]=4 1983 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,1,0,0,0,1|2,0,0]=4 1984 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,1,0,0,0,1|2,0,0]=4 1985 B13R1.513 CC(=O)NNCc1ccc(nc1)Cl 22a_106726394036_100000070787 [0,1,0,0,0,1|2,0,0]=4 1986 B13R1.513 CC(=O)OCSc1cnc(=O)[nH]c1 62a_100000076356_102495366499 [0,1,0,0,0,1|2,0,0]=4 1987 B13R1.513 CC(=O)OCSc1cnc(=O)[nH]c1 62a_102495366499_100000076356 [0,1,0,0,0,1|2,0,0]=4 1988 B13R1.718 C=CC(=O)NCCc1ccccn1 1626a_100000211156_100000185746 [0,1,0,0,0,1|1,0,1]=4 1989 B13R1.718 C=CC(=O)NCCc1ccccn1 240690a_100000211156_200121576911 [0,1,0,0,0,1|1,0,1]=4 1990 B13R1.718 C=CC(=O)NCCc1cccnc1 1626a_100000736294_100000185746 [0,1,0,0,0,1|1,0,1]=4 1991 B13R1.718 C=CC(=O)NCCc1cccnc1 240690a_100000736294_200121576911 [0,1,0,0,0,1|1,0,1]=4 1992 B13R1.718 C=CC(=O)NCCc1cnccn1 1626a_100000723456_100000185746 [0,1,0,0,0,1|0,0,2]=4 1993 B13R1.718 C=CC(=O)NCCc1cnccn1 240690a_100000723456_200121576911 [0,1,0,0,0,1|0,0,2]=4 1994 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,1|2,0,0]=4 1995 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 1996 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 1997 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 1998 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 1999 B13R1.718 CCC(=O)NCCc1ccccn1 11a_100000211156_100000210414 [0,1,0,0,0,1|1,0,0]=3 2000 B13R1.718 CCC(=O)NCCc1ccccn1 1626a_100000211156_100000210414 [0,1,0,0,0,1|1,0,0]=3 2001 B13R1.718 CCC(=O)NCCc1ccccn1 240690a_100000211156_100000210414 [0,1,0,0,0,1|1,0,0]=3 2002 B13R1.718 CCC(=O)NCCc1ccccn1 527a_100000211156_100000210414 [0,1,0,0,0,1|1,0,0]=3 2003 B13R1.718 CCC(=O)NCCc1cccnc1 11a_100000736294_100000210414 [0,1,0,0,0,1|1,0,0]=3 2004 B13R1.718 CCC(=O)NCCc1cccnc1 1626a_100000736294_100000210414 [0,1,0,0,0,1|1,0,0]=3 2005 B13R1.718 CCC(=O)NCCc1cccnc1 240690a_100000736294_100000210414 [0,1,0,0,0,1|1,0,0]=3 2006 B13R1.718 CCC(=O)NCCc1cccnc1 527a_100000736294_100000210414 [0,1,0,0,0,1|1,0,0]=3 2007 B13R1.718 CCC(=O)NCCc1ccncc1 11a_100000742849_100000210414 [0,1,0,0,0,1|1,0,1]=4 2008 B13R1.718 CCC(=O)NCCc1ccncc1 1626a_100000742849_100000210414 [0,1,0,0,0,1|1,0,1]=4 2009 B13R1.718 CCC(=O)NCCc1ccncc1 240690a_100000742849_100000210414 [0,1,0,0,0,1|1,0,1]=4 2010 B13R1.718 CCC(=O)NCCc1ccncc1 527a_100000742849_100000210414 [0,1,0,0,0,1|1,0,1]=4 2011 B13R1.718 CCC(=O)NCCc1cnccn1 11a_100000723456_100000210414 [0,1,0,0,0,1|0,0,1]=3 2012 B13R1.718 CCC(=O)NCCc1cnccn1 1626a_100000723456_100000210414 [0,1,0,0,0,1|0,0,1]=3 2013 B13R1.718 CCC(=O)NCCc1cnccn1 240690a_100000723456_100000210414 [0,1,0,0,0,1|0,0,1]=3 2014 B13R1.718 CCC(=O)NCCc1cnccn1 527a_100000723456_100000210414 [0,1,0,0,0,1|0,0,1]=3 2015 B13R1.718 CCC(=O)NNCc1ccccn1 22a_100000736832_100000210414 [0,1,0,0,0,1|2,0,0]=4 2016 B13R1.718 CCC(=O)NNCc1cccnc1 22a_100000738295_100000210414 [0,1,0,0,0,1|2,0,0]=4 2017 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,1,0,0,0,1|2,0,0]=4 2018 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2019 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2020 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2021 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,0,0,0,1|2,0,0]=4 2022 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,0,0,0,1|2,0,0]=4 2023 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,0,0,0,1|2,0,0]=4 2024 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,0,0,0,1|2,0,0]=4 2025 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,0,0,0,1|2,0,0]=4 2026 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,0,0,0,1|2,0,0]=4 2027 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100000211156_106832991635 [0,1,0,0,0,1|1,0,0]=3 2028 B13R1.718 CNC(=O)NCCc1ccccn1 2708a_100102657272_100000211156 [0,1,0,0,0,1|1,0,0]=3 2029 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100000211156_100102657272 [0,1,0,0,0,1|1,0,0]=3 2030 B13R1.718 CNC(=O)NCCc1ccccn1 273464a_100102657272_100000211156 [0,1,0,0,0,1|1,0,0]=3 2031 B13R1.718 CNC(=O)NCCc1ccccn1 512a_106832991638_100000211156 [0,1,0,0,0,1|1,0,0]=3 2032 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100000736294_106832991635 [0,1,0,0,0,1|1,0,0]=3 2033 B13R1.718 CNC(=O)NCCc1cccnc1 2708a_100102657272_100000736294 [0,1,0,0,0,1|1,0,0]=3 2034 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100000736294_100102657272 [0,1,0,0,0,1|1,0,0]=3 2035 B13R1.718 CNC(=O)NCCc1cccnc1 273464a_100102657272_100000736294 [0,1,0,0,0,1|1,0,0]=3 2036 B13R1.718 CNC(=O)NCCc1cccnc1 512a_100000736294_100102657272 [0,1,0,0,0,1|1,0,0]=3 2037 B13R1.718 CNC(=O)NCCc1cccnc1 512a_106832991638_100000736294 [0,1,0,0,0,1|1,0,0]=3 2038 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100000742849_106832991635 [0,1,0,0,0,1|1,0,1]=4 2039 B13R1.718 CNC(=O)NCCc1ccncc1 2708a_100102657272_100000742849 [0,1,0,0,0,1|1,0,1]=4 2040 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100000742849_100102657272 [0,1,0,0,0,1|1,0,1]=4 2041 B13R1.718 CNC(=O)NCCc1ccncc1 273464a_100102657272_100000742849 [0,1,0,0,0,1|1,0,1]=4 2042 B13R1.718 CNC(=O)NCCc1ccncc1 512a_106832991638_100000742849 [0,1,0,0,0,1|1,0,1]=4 2043 B13R1.718 CNC(=O)NCCc1cnccn1 2708a_100000723456_106832991635 [0,1,0,0,0,1|0,0,1]=3 2044 B13R1.718 CNC(=O)NCCc1cnccn1 2708a_100102657272_100000723456 [0,1,0,0,0,1|0,0,1]=3 2045 B13R1.718 CNC(=O)NCCc1cnccn1 273464a_100000723456_100102657272 [0,1,0,0,0,1|0,0,1]=3 2046 B13R1.718 CNC(=O)NCCc1cnccn1 273464a_100102657272_100000723456 [0,1,0,0,0,1|0,0,1]=3 2047 B13R1.718 CNC(=O)NCCc1cnccn1 512a_100000723456_100102657272 [0,1,0,0,0,1|0,0,1]=3 2048 B13R1.718 CNC(=O)NCCc1cnccn1 512a_106832991638_100000723456 [0,1,0,0,0,1|0,0,1]=3 2049 B13R1.718 CNC(=O)NNCc1ccccn1 273464a_100102657272_100000736832 [0,1,0,0,0,1|2,0,0]=4 2050 B13R1.718 CNC(=O)NNCc1ccccn1 512a_106832991638_100000736832 [0,1,0,0,0,1|2,0,0]=4 2051 B13R1.718 CNC(=O)NNCc1cccnc1 273464a_100102657272_100000738295 [0,1,0,0,0,1|2,0,0]=4 2052 B13R1.718 CNC(=O)NNCc1cccnc1 512a_100000738295_100102657272 [0,1,0,0,0,1|2,0,0]=4 2053 B13R1.718 CNC(=O)NNCc1cccnc1 512a_106832991638_100000738295 [0,1,0,0,0,1|2,0,0]=4 2054 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,1|2,0,0]=4 2055 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|2,0,0]=4 2056 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|2,0,0]=4 2057 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,1|1,0,0]=3 2058 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,1|1,0,0]=3 2059 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,1|1,0,0]=3 2060 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,1|1,0,0]=3 2061 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,1|1,0,1]=4 2062 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,1|1,0,1]=4 2063 B13R1.718 O=C(CO)NCCc1cnccn1 240690a_100000723456_100000210174 [0,1,0,0,0,1|0,0,1]=3 2064 B13R1.718 O=C(CO)NCCc1cnccn1 527a_100000723456_100000210174 [0,1,0,0,0,1|0,0,1]=3 2065 B13R1.718 O=C(CO)NNCc1ccccn1 22a_100000736832_100000210174 [0,1,0,0,0,1|2,0,0]=4 2066 B13R1.718 O=C(CO)NNCc1cccnc1 22a_100000738295_100000210174 [0,1,0,0,0,1|2,0,0]=4 2067 B13R1.3523 CS(=O)(=O)NCCc1ccccn1 40a_100000211156_100000738038 [0,1,0,0,0,1|2,0,0]=4 2068 B13R1.3523 CS(=O)(=O)NCCc1cccnc1 40a_100000736294_100000738038 [0,1,0,0,0,1|2,0,0]=4 2069 B13R1.3523 CS(=O)(=O)NCCc1cnccn1 40a_100000723456_100000738038 [0,1,0,0,0,1|1,0,1]=4 2070 B13R1.128 C=C(C)CCOCc1cn(cn1)C 34a_100000710007_100000730704 [0,1,0,0,0,1|2,0,0]=4 2071 B13R1.128 C=C(C)CCOCc1cn(cn1)C 34a_100000764851_100000717665 [0,1,0,0,0,1|2,0,0]=4 2072 B13R1.128 C=C(C)CCSCc1cn(cn1)C 62a_100000717665_100000730704 [0,1,0,0,0,1|2,0,0]=4 2073 B13R1.128 C=C(C)CCSCc1cn(cn1)C 62a_100000730704_100000717665 [0,1,0,0,0,1|2,0,0]=4 2074 B13R1.128 C=C(C)CNCCc1csc(n1)C 2230a_102495365028_100000748629 [0,1,0,0,0,1|2,0,0]=4 2075 B13R1.128 C=C(C)CNCCc1csc(n1)C 34a_102495365028_100000748629 [0,1,0,0,0,1|2,0,0]=4 2076 B13R1.128 CC(=CCCSc1c[nH]c(n1)C)C 62a_100009814057_100011217483 [0,1,0,0,0,1|2,0,0]=4 2077 B13R1.128 CC(=CCCSc1c[nH]c(n1)C)C 62a_100011217483_100009814057 [0,1,0,0,0,1|2,0,0]=4 2078 B13R1.128 CC(=CCCSc1cn(cn1)C)C 62a_100000040308_100011217483 [0,1,0,0,0,1|2,0,0]=4 2079 B13R1.128 CC(=CCCSc1cn(cn1)C)C 62a_100011217483_100000040308 [0,1,0,0,0,1|2,0,0]=4 2080 B13R1.128 CC(=CCNCc1cn(cn1)C)C 270004a_100000718196_100000684808 [0,1,0,0,0,1|2,0,0]=4 2081 B13R1.128 CC(=CCNCc1cn(cn1)C)C 34a_100000718196_100000717665 [0,1,0,0,0,1|2,0,0]=4 2082 B13R1.128 CC(=CCOCc1cn(cn1)C)C 34a_100000710007_100000761012 [0,1,0,0,0,1|2,0,0]=4 2083 B13R1.128 CC(=CCOCc1cn(cn1)C)C 34a_100000753907_100000717665 [0,1,0,0,0,1|2,0,0]=4 2084 B13R1.128 CC(=CCSCc1cn(cn1)C)C 62a_100000717665_100000761012 [0,1,0,0,0,1|2,0,0]=4 2085 B13R1.128 CC(=CCSCc1cn(cn1)C)C 62a_100000761012_100000717665 [0,1,0,0,0,1|2,0,0]=4 2086 B13R1.128 CC(=O)CCCSc1c[nH]c(n1)C 62a_100009814057_100011215641 [0,1,0,0,0,1|1,0,0]=3 2087 B13R1.128 CC(=O)CCCSc1c[nH]c(n1)C 62a_100011215641_100009814057 [0,1,0,0,0,1|1,0,0]=3 2088 B13R1.128 CC(=O)CCCSc1cn(cn1)C 62a_100000040308_100011215641 [0,1,0,0,0,1|1,0,0]=3 2089 B13R1.128 CC(=O)CCCSc1cn(cn1)C 62a_100011215641_100000040308 [0,1,0,0,0,1|1,0,0]=3 2090 B13R1.128 CC(=O)CCCSc1cn(nn1)C 62a_100000760339_100011215641 [0,1,0,0,0,1|2,0,0]=4 2091 B13R1.128 CC(=O)CCCSc1cn(nn1)C 62a_100011215641_100000760339 [0,1,0,0,0,1|2,0,0]=4 2092 B13R1.128 CC(=O)CCCSc1csc(n1)C 62a_100011215641_100011934587 [0,1,0,0,0,1|2,0,0]=4 2093 B13R1.128 CC(=O)CCCSc1csc(n1)C 62a_100011934587_100011215641 [0,1,0,0,0,1|2,0,0]=4 2094 B13R1.128 CC(=O)CCCSc1csc(n1)N 62a_100011215641_100011998049 [0,1,0,0,0,1|2,0,0]=4 2095 B13R1.128 CC(=O)CCCSc1csc(n1)N 62a_100011998049_100011215641 [0,1,0,0,0,1|2,0,0]=4 2096 B13R1.128 CC(=O)CCCSc1n[nH]c(n1)C 62a_100000732540_100011215641 [0,1,0,0,0,1|2,0,0]=4 2097 B13R1.128 CC(=O)CCCSc1n[nH]c(n1)C 62a_100011215641_100000732540 [0,1,0,0,0,1|2,0,0]=4 2098 B13R1.128 CC(=O)CCCSc1n[nH]c(n1)N 62a_100011215641_100015184587 [0,1,0,0,0,1|2,0,0]=4 2099 B13R1.128 CC(=O)CCCSc1n[nH]c(n1)N 62a_100015184587_100011215641 [0,1,0,0,0,1|2,0,0]=4 2100 B13R1.128 CC(=O)CCCSc1ncn(n1)C 62a_100009819955_100011215641 [0,1,0,0,0,1|2,0,0]=4 2101 B13R1.128 CC(=O)CCCSc1ncn(n1)C 62a_100011215641_100009819955 [0,1,0,0,0,1|2,0,0]=4 2102 B13R1.128 CC(=O)CCOCc1cn(cn1)C 34a_100000759926_100000717665 [0,1,0,0,0,1|1,0,0]=3 2103 B13R1.128 CC(=O)CCOCc1cn(cn1)C 7a_100000759926_100000717665 [0,1,0,0,0,1|1,0,0]=3 2104 B13R1.128 CC(=O)CCOCc1csc(n1)C 34a_100000759926_100015186478 [0,1,0,0,0,1|2,0,0]=4 2105 B13R1.128 CC(=O)CCOCc1csc(n1)C 7a_100000759926_100015186478 [0,1,0,0,0,1|2,0,0]=4 2106 B13R1.128 CC(=O)CCOCc1csc(n1)Cl 34a_100000759926_100000024076 [0,1,0,0,0,1|2,0,0]=4 2107 B13R1.128 CC(=O)CCOCc1csc(n1)Cl 7a_100000759926_100000024076 [0,1,0,0,0,1|2,0,0]=4 2108 B13R1.128 CC(=O)CCOCc1ncn(n1)C 34a_100000759926_100016995526 [0,1,0,0,0,1|2,0,0]=4 2109 B13R1.128 CC(=O)CCOCc1ncn(n1)C 7a_100000759926_100016995526 [0,1,0,0,0,1|2,0,0]=4 2110 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000053229_100000717665 [0,1,0,0,0,1|1,0,0]=3 2111 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000053229 [0,1,0,0,0,1|1,0,0]=3 2112 B13R1.128 CC(=O)CCSCc1csc(n1)C 1458a_100000230772_200000210301 [0,1,0,0,0,1|2,0,0]=4 2113 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100000053229_100015186478 [0,1,0,0,0,1|2,0,0]=4 2114 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100015186478_100000053229 [0,1,0,0,0,1|2,0,0]=4 2115 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000053229 [0,1,0,0,0,1|2,0,0]=4 2116 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000053229_100000024076 [0,1,0,0,0,1|2,0,0]=4 2117 B13R1.128 CC(=O)CCSCc1ncn(n1)C 62a_100000053229_100016995526 [0,1,0,0,0,1|2,0,0]=4 2118 B13R1.128 CC(=O)CCSCc1ncn(n1)C 62a_100016995526_100000053229 [0,1,0,0,0,1|2,0,0]=4 2119 B13R1.128 CC(=O)COCCc1csc(n1)C 34a_100000211253_100000695623 [0,1,0,0,0,1|2,0,0]=4 2120 B13R1.128 CC(=O)NCCC[n+]1ccn(c1)C 240690a_100009963821_100015343762 [0,1,0,0,0,1|2,0,0]=4 2121 B13R1.128 CC(=O)NCCCc1cnn(c1)C 11a_100025718371_100015343762 [0,1,0,0,0,1|2,0,0]=4 2122 B13R1.128 CC(=O)NCCCc1cnn(c1)C 240690a_100025718371_100015343762 [0,1,0,0,0,1|2,0,0]=4 2123 B13R1.128 CC(=O)NCCCc1cnn(c1)C 527a_100025718371_100103153847 [0,1,0,0,0,1|2,0,0]=4 2124 B13R1.128 CC(=O)NCCCc1nc(cs1)C 11a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2125 B13R1.128 CC(=O)NCCCc1nc(cs1)C 1626a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2126 B13R1.128 CC(=O)NCCCc1nc(cs1)C 240690a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2127 B13R1.128 CC(=O)NCCCc1nc(cs1)C 527a_100000749783_100103153847 [0,1,0,0,0,1|2,0,0]=4 2128 B13R1.128 CC(=O)NCCCc1nc(no1)C 11a_100000750606_100015343762 [0,1,0,0,0,1|1,0,1]=4 2129 B13R1.128 CC(=O)NCCCc1nc(no1)C 240690a_100000750606_100015343762 [0,1,0,0,0,1|1,0,1]=4 2130 B13R1.128 CC(=O)NCCCc1nc(no1)C 270196a_100000212224_100000194741 [0,1,0,0,0,1|1,0,1]=4 2131 B13R1.128 CC(=O)NCCCc1nc(no1)C 527a_100000750606_100103153847 [0,1,0,0,0,1|1,0,1]=4 2132 B13R1.128 CC(=O)NCCCn1cc(cn1)C 11a_100000748464_100015343762 [0,1,0,0,0,1|2,0,0]=4 2133 B13R1.128 CC(=O)NCCCn1cc(cn1)C 1626a_100000748464_100015343762 [0,1,0,0,0,1|2,0,0]=4 2134 B13R1.128 CC(=O)NCCCn1cc(cn1)C 240690a_100000748464_100015343762 [0,1,0,0,0,1|2,0,0]=4 2135 B13R1.128 CC(=O)NCCCn1cc(cn1)C 527a_100000748464_100103153847 [0,1,0,0,0,1|2,0,0]=4 2136 B13R1.128 CC(=O)NCCCn1cc(cn1)Cl 11a_100011353932_100015343762 [0,1,0,0,0,1|2,0,0]=4 2137 B13R1.128 CC(=O)NCCCn1cc(cn1)Cl 1626a_100011353932_100015343762 [0,1,0,0,0,1|2,0,0]=4 2138 B13R1.128 CC(=O)NCCCn1cc(cn1)Cl 240690a_100011353932_100015343762 [0,1,0,0,0,1|2,0,0]=4 2139 B13R1.128 CC(=O)NCCCn1cc(cn1)Cl 527a_100011353932_100103153847 [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.128 CC(=O)NCCNc1nc(ns1)C 27a_100000209853_100000709739 [0,1,0,0,0,1|1,0,1]=4 2141 B13R1.128 CC(=O)NCCNc1noc(n1)C 27a_100000209853_100012003639 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.128 CC(=O)NCCSc1c[nH]c(n1)C 62a_100000189650_100009814057 [0,1,0,0,0,1|0,0,0]=2 2143 B13R1.128 CC(=O)NCCSc1c[nH]c(n1)C 62a_100009814057_100000189650 [0,1,0,0,0,1|0,0,0]=2 2144 B13R1.128 CC(=O)NCCSc1cc([nH]n1)C 62a_100000189650_100009819999 [0,1,0,0,0,1|2,0,0]=4 2145 B13R1.128 CC(=O)NCCSc1cc([nH]n1)C 62a_100009819999_100000189650 [0,1,0,0,0,1|2,0,0]=4 2146 B13R1.128 CC(=O)NCCSc1cc([nH]n1)N 62a_100000189650_100009822546 [0,1,0,0,0,1|2,0,0]=4 2147 B13R1.128 CC(=O)NCCSc1cc([nH]n1)N 62a_100009822546_100000189650 [0,1,0,0,0,1|2,0,0]=4 2148 B13R1.128 CC(=O)NCCSc1cc(cs1)C 62a_100000189650_100009876951 [0,1,0,0,0,1|2,0,0]=4 2149 B13R1.128 CC(=O)NCCSc1cc(cs1)C 62a_100009876951_100000189650 [0,1,0,0,0,1|2,0,0]=4 2150 B13R1.128 CC(=O)NCCSc1cc(on1)C 62a_100000189650_100000716708 [0,1,0,0,0,1|2,0,0]=4 2151 B13R1.128 CC(=O)NCCSc1cc(on1)C 62a_100000716708_100000189650 [0,1,0,0,0,1|2,0,0]=4 2152 B13R1.128 CC(=O)NCCSc1ccc(s1)Br 62a_100000189650_100010197418 [0,1,0,0,0,1|2,0,0]=4 2153 B13R1.128 CC(=O)NCCSc1ccc(s1)Br 62a_100010197418_100000189650 [0,1,0,0,0,1|2,0,0]=4 2154 B13R1.128 CC(=O)NCCSc1ccc(s1)C 62a_100000031368_100000189650 [0,1,0,0,0,1|2,0,0]=4 2155 B13R1.128 CC(=O)NCCSc1ccc(s1)C 62a_100000189650_100000031368 [0,1,0,0,0,1|2,0,0]=4 2156 B13R1.128 CC(=O)NCCSc1ccn(n1)C 62a_100000189650_100000752436 [0,1,0,0,0,1|2,0,0]=4 2157 B13R1.128 CC(=O)NCCSc1ccn(n1)C 62a_100000752436_100000189650 [0,1,0,0,0,1|2,0,0]=4 2158 B13R1.128 CC(=O)NCCSc1cn(cn1)C 62a_100000040308_100000189650 [0,1,0,0,0,1|0,0,0]=2 2159 B13R1.128 CC(=O)NCCSc1cn(cn1)C 62a_100000189650_100000040308 [0,1,0,0,0,1|0,0,0]=2 2160 B13R1.128 CC(=O)NCCSc1cn(nn1)C 62a_100000189650_100000760339 [0,1,0,0,0,1|1,0,0]=3 2161 B13R1.128 CC(=O)NCCSc1cn(nn1)C 62a_100000760339_100000189650 [0,1,0,0,0,1|1,0,0]=3 2162 B13R1.128 CC(=O)NCCSc1cnc(s1)Br 62a_100000189650_100012357534 [0,1,0,0,0,1|1,0,1]=4 2163 B13R1.128 CC(=O)NCCSc1cnc(s1)Br 62a_100012357534_100000189650 [0,1,0,0,0,1|1,0,1]=4 2164 B13R1.128 CC(=O)NCCSc1cnc(s1)C 62a_100000189650_100000764884 [0,1,0,0,0,1|1,0,1]=4 2165 B13R1.128 CC(=O)NCCSc1cnc(s1)C 62a_100000764884_100000189650 [0,1,0,0,0,1|1,0,1]=4 2166 B13R1.128 CC(=O)NCCSc1cnc(s1)N 62a_100000189650_100000718969 [0,1,0,0,0,1|1,0,1]=4 2167 B13R1.128 CC(=O)NCCSc1cnc(s1)N 62a_100000718969_100000189650 [0,1,0,0,0,1|1,0,1]=4 2168 B13R1.128 CC(=O)NCCSc1cnn(c1)C 62a_100000189650_100000745744 [0,1,0,0,0,1|2,0,0]=4 2169 B13R1.128 CC(=O)NCCSc1cnn(c1)C 62a_100000745744_100000189650 [0,1,0,0,0,1|2,0,0]=4 2170 B13R1.128 CC(=O)NCCSc1cnn(n1)C 62a_100000189650_100000733932 [0,1,0,0,0,1|1,0,1]=4 2171 B13R1.128 CC(=O)NCCSc1cnn(n1)C 62a_100000733932_100000189650 [0,1,0,0,0,1|1,0,1]=4 2172 B13R1.128 CC(=O)NCCSc1csc(c1)C 62a_100000189650_100000759034 [0,1,0,0,0,1|2,0,0]=4 2173 B13R1.128 CC(=O)NCCSc1csc(c1)C 62a_100000759034_100000189650 [0,1,0,0,0,1|2,0,0]=4 2174 B13R1.128 CC(=O)NCCSc1csc(n1)C 62a_100000189650_100011934587 [0,1,0,0,0,1|1,0,0]=3 2175 B13R1.128 CC(=O)NCCSc1csc(n1)C 62a_100011934587_100000189650 [0,1,0,0,0,1|1,0,0]=3 2176 B13R1.128 CC(=O)NCCSc1csc(n1)N 62a_100000189650_100011998049 [0,1,0,0,0,1|1,0,0]=3 2177 B13R1.128 CC(=O)NCCSc1csc(n1)N 62a_100011998049_100000189650 [0,1,0,0,0,1|1,0,0]=3 2178 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)C 240690a_100015204830_100015343762 [0,1,0,0,0,1|1,0,0]=3 2179 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)C 527a_100015204830_100103153847 [0,1,0,0,0,1|1,0,0]=3 2180 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)C 62a_100000189650_100000732540 [0,1,0,0,0,1|1,0,0]=3 2181 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)C 62a_100000732540_100000189650 [0,1,0,0,0,1|1,0,0]=3 2182 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)N 62a_100000189650_100015184587 [0,1,0,0,0,1|1,0,0]=3 2183 B13R1.128 CC(=O)NCCSc1n[nH]c(n1)N 62a_100015184587_100000189650 [0,1,0,0,0,1|1,0,0]=3 2184 B13R1.128 CC(=O)NCCSc1nc(c[nH]1)C 62a_100000189650_100161115468 [0,1,0,0,0,1|2,0,0]=4 2185 B13R1.128 CC(=O)NCCSc1nc(c[nH]1)C 62a_100161115468_100000189650 [0,1,0,0,0,1|2,0,0]=4 2186 B13R1.128 CC(=O)NCCSc1nc(cs1)Br 62a_100000189650_200016082925 [0,1,0,0,0,1|2,0,0]=4 2187 B13R1.128 CC(=O)NCCSc1nc(cs1)Br 62a_200016082925_100000189650 [0,1,0,0,0,1|2,0,0]=4 2188 B13R1.128 CC(=O)NCCSc1nc(cs1)C 62a_100000189650_100011291629 [0,1,0,0,0,1|2,0,0]=4 2189 B13R1.128 CC(=O)NCCSc1nc(cs1)C 62a_100011291629_100000189650 [0,1,0,0,0,1|2,0,0]=4 2190 B13R1.128 CC(=O)NCCSc1nc(cs1)N 62a_100000189650_200015188442 [0,1,0,0,0,1|2,0,0]=4 2191 B13R1.128 CC(=O)NCCSc1nc(cs1)N 62a_200015188442_100000189650 [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.128 CC(=O)NCCSc1nc(ns1)C 62a_100000189650_100000709739 [0,1,0,0,0,1|1,0,1]=4 2193 B13R1.128 CC(=O)NCCSc1nc(ns1)C 62a_100000709739_100000189650 [0,1,0,0,0,1|1,0,1]=4 2194 B13R1.128 CC(=O)NCCSc1ncc(s1)C 62a_100000189650_100000690809 [0,1,0,0,0,1|2,0,0]=4 2195 B13R1.128 CC(=O)NCCSc1ncc(s1)C 62a_100000690809_100000189650 [0,1,0,0,0,1|2,0,0]=4 2196 B13R1.128 CC(=O)NCCSc1ncn(n1)C 62a_100000189650_100009819955 [0,1,0,0,0,1|1,0,0]=3 2197 B13R1.128 CC(=O)NCCSc1ncn(n1)C 62a_100009819955_100000189650 [0,1,0,0,0,1|1,0,0]=3 2198 B13R1.128 CC(=O)NCCSc1nnn(n1)C 62a_100000189650_200009870515 [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.128 CC(=O)NCCSc1nnn(n1)C 62a_200009870515_100000189650 [0,1,0,0,0,1|2,0,0]=4 2200 B13R1.128 CC(=O)NCCSc1noc(n1)C 62a_100000189650_100012003639 [0,1,0,0,0,1|2,0,0]=4 2201 B13R1.128 CC(=O)NCCSc1noc(n1)C 62a_100012003639_100000189650 [0,1,0,0,0,1|2,0,0]=4 2202 B13R1.128 CC(=O)OCC=Cc1c[nH]c(n1)C 271570a_200000047263_100009814057 [0,1,0,0,0,1|1,0,1]=4 2203 B13R1.128 CC(=O)OCC=Cc1cn(cn1)C 271570a_200000047263_100000040308 [0,1,0,0,0,1|1,0,1]=4 2204 B13R1.128 CC(=O)OCCSc1c[nH]c(n1)C 62a_100009814007_100009814057 [0,1,0,0,0,1|1,0,0]=3 2205 B13R1.128 CC(=O)OCCSc1c[nH]c(n1)C 62a_100009814057_100009814007 [0,1,0,0,0,1|1,0,0]=3 2206 B13R1.128 CC(=O)OCCSc1cn(cn1)C 62a_100000040308_100009814007 [0,1,0,0,0,1|1,0,0]=3 2207 B13R1.128 CC(=O)OCCSc1cn(cn1)C 62a_100009814007_100000040308 [0,1,0,0,0,1|1,0,0]=3 2208 B13R1.128 CC(=O)OCCSc1cn(nn1)C 62a_100000760339_100009814007 [0,1,0,0,0,1|2,0,0]=4 2209 B13R1.128 CC(=O)OCCSc1cn(nn1)C 62a_100009814007_100000760339 [0,1,0,0,0,1|2,0,0]=4 2210 B13R1.128 CC(=O)OCCSc1csc(n1)C 62a_100009814007_100011934587 [0,1,0,0,0,1|2,0,0]=4 2211 B13R1.128 CC(=O)OCCSc1csc(n1)C 62a_100011934587_100009814007 [0,1,0,0,0,1|2,0,0]=4 2212 B13R1.128 CC(=O)OCCSc1csc(n1)N 62a_100009814007_100011998049 [0,1,0,0,0,1|2,0,0]=4 2213 B13R1.128 CC(=O)OCCSc1csc(n1)N 62a_100011998049_100009814007 [0,1,0,0,0,1|2,0,0]=4 2214 B13R1.128 CC(=O)OCCSc1n[nH]c(n1)C 62a_100000732540_100009814007 [0,1,0,0,0,1|2,0,0]=4 2215 B13R1.128 CC(=O)OCCSc1n[nH]c(n1)C 62a_100009814007_100000732540 [0,1,0,0,0,1|2,0,0]=4 2216 B13R1.128 CC(=O)OCCSc1n[nH]c(n1)N 62a_100009814007_100015184587 [0,1,0,0,0,1|2,0,0]=4 2217 B13R1.128 CC(=O)OCCSc1n[nH]c(n1)N 62a_100015184587_100009814007 [0,1,0,0,0,1|2,0,0]=4 2218 B13R1.128 CC(=O)OCCSc1ncn(n1)C 62a_100009814007_100009819955 [0,1,0,0,0,1|2,0,0]=4 2219 B13R1.128 CC(=O)OCCSc1ncn(n1)C 62a_100009819955_100009814007 [0,1,0,0,0,1|2,0,0]=4 2220 B13R1.128 CC(=O)OCNCc1csc(n1)C 34a_100000707933_100009813279 [0,1,0,0,0,1|2,0,0]=4 2221 B13R1.128 CC(=O)OCOCc1cn(cn1)C 34a_100000710007_100009813279 [0,1,0,0,0,1|1,0,0]=3 2222 B13R1.128 CC(=O)OCOCc1coc(n1)C 34a_100012017233_100009813279 [0,1,0,0,0,1|2,0,0]=4 2223 B13R1.128 CC(=O)OCOCc1csc(n1)C 34a_100000735831_100009813279 [0,1,0,0,0,1|2,0,0]=4 2224 B13R1.128 CC(=O)OCSCc1cn(cn1)C 62a_100000076356_100000717665 [0,1,0,0,0,1|1,0,0]=3 2225 B13R1.128 CC(=O)OCSCc1cn(cn1)C 62a_100000717665_100000076356 [0,1,0,0,0,1|1,0,0]=3 2226 B13R1.128 CC(=O)OCSCc1csc(n1)C 62a_100000076356_100015186478 [0,1,0,0,0,1|2,0,0]=4 2227 B13R1.128 CC(=O)OCSCc1csc(n1)C 62a_100015186478_100000076356 [0,1,0,0,0,1|2,0,0]=4 2228 B13R1.128 CC(=O)OCSCc1csc(n1)Cl 62a_100000024076_100000076356 [0,1,0,0,0,1|2,0,0]=4 2229 B13R1.128 CC(=O)OCSCc1csc(n1)Cl 62a_100000076356_100000024076 [0,1,0,0,0,1|2,0,0]=4 2230 B13R1.128 CC(=O)OCSCc1ncn(n1)C 62a_100000076356_100016995526 [0,1,0,0,0,1|2,0,0]=4 2231 B13R1.128 CC(=O)OCSCc1ncn(n1)C 62a_100016995526_100000076356 [0,1,0,0,0,1|2,0,0]=4 2232 B13R1.128 CC(=O)SCCCc1cn(nn1)C 274090a_200000210301_100160474596 [0,1,0,0,0,1|2,0,0]=4 2233 B13R1.128 CC(=O)SCCCc1cn(nn1)[13CH3] 274090a_200025704644_100160474596 [0,1,0,0,0,1|2,0,0]=4 2234 B13R1.128 CC(C)CNCCc1cn(cn1)C 270004a_106430523030_100000210432 [0,1,0,0,0,1|1,0,1]=4 2235 B13R1.128 Cc1nc(c[nH]1)CNCCC(=O)N 207a_100000740010_100011219055 [0,1,0,0,0,1|2,0,0]=4 2236 B13R1.128 Cc1nc(c[nH]1)SCCCC(=O)N 62a_100009814057_100102525003 [0,1,0,0,0,1|2,0,0]=4 2237 B13R1.128 Cc1nc(c[nH]1)SCCCC(=O)N 62a_100102525003_100009814057 [0,1,0,0,0,1|2,0,0]=4 2238 B13R1.128 Cc1nc(c[nH]1)SCCNC(=O)N 62a_100009814057_200000034859 [0,1,0,0,0,1|1,0,0]=3 2239 B13R1.128 Cc1nc(c[nH]1)SCCNC(=O)N 62a_200000034859_100009814057 [0,1,0,0,0,1|1,0,0]=3 2240 B13R1.128 Cc1nc(c[nH]1)SCCOC(=O)N 62a_100009814057_200011214921 [0,1,0,0,0,1|2,0,0]=4 2241 B13R1.128 Cc1nc(c[nH]1)SCCOC(=O)N 62a_200011214921_100009814057 [0,1,0,0,0,1|2,0,0]=4 2242 B13R1.128 Cc1nc(cs1)CCNCC(=O)N 2230a_100000711301_100000695623 [0,1,0,0,0,1|2,0,0]=4 2243 B13R1.128 Cc1nc(cs1)CCNCC(=O)N 2230a_102495365028_100000747473 [0,1,0,0,0,1|2,0,0]=4 2244 B13R1.128 Cc1nc(cs1)CCNCC(=O)N 34a_102495365028_100000187820 [0,1,0,0,0,1|2,0,0]=4 2245 B13R1.128 Cc1nc(cs1)CCNCC(=O)O 269956a_100016091260_100000695623 [0,1,0,0,0,1|2,0,0]=4 2246 B13R1.128 Cc1nc(cs1)CCNCC(=O)[O-] 34a_102495365028_100020667443 [0,1,0,0,0,1|2,0,0]=4 2247 B13R1.128 Cc1nc(cs1)CSCCC(=O)[13CH3] 1458a_100000230772_200025704644 [0,1,0,0,0,1|2,0,0]=4 2248 B13R1.128 Cc1nc(cs1)SCCNC(=O)N 62a_100011934587_200000034859 [0,1,0,0,0,1|2,0,0]=4 2249 B13R1.128 Cc1nc(cs1)SCCNC(=O)N 62a_200000034859_100011934587 [0,1,0,0,0,1|2,0,0]=4 2250 B13R1.128 Cc1nc(n[nH]1)SCCNC(=O)N 62a_100000732540_200000034859 [0,1,0,0,0,1|2,0,0]=4 2251 B13R1.128 Cc1nc(n[nH]1)SCCNC(=O)N 62a_200000034859_100000732540 [0,1,0,0,0,1|2,0,0]=4 2252 B13R1.128 Cn1cc(nn1)SCCNC(=O)N 62a_100000760339_200000034859 [0,1,0,0,0,1|2,0,0]=4 2253 B13R1.128 Cn1cc(nn1)SCCNC(=O)N 62a_200000034859_100000760339 [0,1,0,0,0,1|2,0,0]=4 2254 B13R1.128 Cn1cnc(c1)CNCCC(=O)N 207a_100000740010_100000684808 [0,1,0,0,0,1|2,0,0]=4 2255 B13R1.128 Cn1cnc(c1)COCCC(=O)N 34a_100000710007_100000731001 [0,1,0,0,0,1|2,0,0]=4 2256 B13R1.128 Cn1cnc(c1)COCCC(=O)N 34a_100000757172_100000717665 [0,1,0,0,0,1|2,0,0]=4 2257 B13R1.128 Cn1cnc(c1)COCCC(=O)N 7a_100000757172_100000717665 [0,1,0,0,0,1|2,0,0]=4 2258 B13R1.128 Cn1cnc(c1)CSCCC(=O)N 62a_100000717665_100000744528 [0,1,0,0,0,1|2,0,0]=4 2259 B13R1.128 Cn1cnc(c1)CSCCC(=O)N 62a_100000744528_100000717665 [0,1,0,0,0,1|2,0,0]=4 2260 B13R1.128 Cn1cnc(c1)SCCCC(=O)N 62a_100000040308_100102525003 [0,1,0,0,0,1|2,0,0]=4 2261 B13R1.128 Cn1cnc(c1)SCCCC(=O)N 62a_100102525003_100000040308 [0,1,0,0,0,1|2,0,0]=4 2262 B13R1.128 Cn1cnc(c1)SCCNC(=O)N 62a_100000040308_200000034859 [0,1,0,0,0,1|1,0,0]=3 2263 B13R1.128 Cn1cnc(c1)SCCNC(=O)N 62a_200000034859_100000040308 [0,1,0,0,0,1|1,0,0]=3 2264 B13R1.128 Cn1cnc(c1)SCCOC(=O)N 62a_100000040308_200011214921 [0,1,0,0,0,1|2,0,0]=4 2265 B13R1.128 Cn1cnc(c1)SCCOC(=O)N 62a_200011214921_100000040308 [0,1,0,0,0,1|2,0,0]=4 2266 B13R1.128 Cn1cnc(n1)SCCNC(=O)N 62a_100009819955_200000034859 [0,1,0,0,0,1|2,0,0]=4 2267 B13R1.128 Cn1cnc(n1)SCCNC(=O)N 62a_200000034859_100009819955 [0,1,0,0,0,1|2,0,0]=4 2268 B13R1.128 NC(=O)NCCSc1csc(n1)N 62a_100011998049_200000034859 [0,1,0,0,0,1|2,0,0]=4 2269 B13R1.128 NC(=O)NCCSc1csc(n1)N 62a_200000034859_100011998049 [0,1,0,0,0,1|2,0,0]=4 2270 B13R1.128 NC(=O)NCCSc1n[nH]c(n1)N 62a_100015184587_200000034859 [0,1,0,0,0,1|2,0,0]=4 2271 B13R1.128 NC(=O)NCCSc1n[nH]c(n1)N 62a_200000034859_100015184587 [0,1,0,0,0,1|2,0,0]=4 2272 B13R1.167 C=C(C)CCSCc1nc[nH]c1C 62a_100000730704_100000751220 [0,1,0,0,0,1|2,0,0]=4 2273 B13R1.167 C=C(C)CCSCc1nc[nH]c1C 62a_100000751220_100000730704 [0,1,0,0,0,1|2,0,0]=4 2274 B13R1.167 CC(=CCCSc1nc[nH]c1C)C 62a_100010186451_100011217483 [0,1,0,0,0,1|2,0,0]=4 2275 B13R1.167 CC(=CCCSc1nc[nH]c1C)C 62a_100011217483_100010186451 [0,1,0,0,0,1|2,0,0]=4 2276 B13R1.167 CC(=CCSCc1nc[nH]c1C)C 62a_100000751220_100000761012 [0,1,0,0,0,1|2,0,0]=4 2277 B13R1.167 CC(=CCSCc1nc[nH]c1C)C 62a_100000761012_100000751220 [0,1,0,0,0,1|2,0,0]=4 2278 B13R1.167 CC(=O)CCCSc1nc[nH]c1C 62a_100010186451_100011215641 [0,1,0,0,0,1|1,0,0]=3 2279 B13R1.167 CC(=O)CCCSc1nc[nH]c1C 62a_100011215641_100010186451 [0,1,0,0,0,1|1,0,0]=3 2280 B13R1.167 CC(=O)CCCSc1ncsc1C 62a_100000732656_100011215641 [0,1,0,0,0,1|2,0,0]=4 2281 B13R1.167 CC(=O)CCCSc1ncsc1C 62a_100011215641_100000732656 [0,1,0,0,0,1|2,0,0]=4 2282 B13R1.167 CC(=O)CCOCc1ncoc1C 34a_100000759926_200000693990 [0,1,0,0,0,1|2,0,0]=4 2283 B13R1.167 CC(=O)CCOCc1ncoc1C 7a_100000759926_200000693990 [0,1,0,0,0,1|2,0,0]=4 2284 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000053229_100000751220 [0,1,0,0,0,1|1,0,0]=3 2285 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000053229 [0,1,0,0,0,1|1,0,0]=3 2286 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_100000053229_200000693990 [0,1,0,0,0,1|2,0,0]=4 2287 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_200000693990_100000053229 [0,1,0,0,0,1|2,0,0]=4 2288 B13R1.167 CC(=O)NCCCc1cn[nH]c1C 240690a_100000736106_100015343762 [0,1,0,0,0,1|2,0,0]=4 2289 B13R1.167 CC(=O)NCCCc1cn[nH]c1C 527a_100000736106_100103153847 [0,1,0,0,0,1|2,0,0]=4 2290 B13R1.167 CC(=O)NCCNc1ncnn1C 27a_100000209853_100000732653 [0,1,0,0,0,1|1,0,1]=4 2291 B13R1.167 CC(=O)NCCSc1[nH]cnc1Cl 62a_100000189650_100010200774 [0,1,0,0,0,1|0,0,2]=4 2292 B13R1.167 CC(=O)NCCSc1[nH]cnc1Cl 62a_100010200774_100000189650 [0,1,0,0,0,1|0,0,2]=4 2293 B13R1.167 CC(=O)NCCSc1c[nH]nc1Br 62a_100000189650_100011012988 [0,1,0,0,0,1|2,0,0]=4 2294 B13R1.167 CC(=O)NCCSc1c[nH]nc1Br 62a_100011012988_100000189650 [0,1,0,0,0,1|2,0,0]=4 2295 B13R1.167 CC(=O)NCCSc1c[nH]nc1C 62a_100000189650_100000692133 [0,1,0,0,0,1|2,0,0]=4 2296 B13R1.167 CC(=O)NCCSc1c[nH]nc1C 62a_100000692133_100000189650 [0,1,0,0,0,1|2,0,0]=4 2297 B13R1.167 CC(=O)NCCSc1c[nH]nc1F 62a_100000189650_100015597042 [0,1,0,0,0,1|2,0,0]=4 2298 B13R1.167 CC(=O)NCCSc1c[nH]nc1F 62a_100015597042_100000189650 [0,1,0,0,0,1|2,0,0]=4 2299 B13R1.167 CC(=O)NCCSc1c[nH]nc1N 62a_100000189650_100000717100 [0,1,0,0,0,1|2,0,0]=4 2300 B13R1.167 CC(=O)NCCSc1c[nH]nc1N 62a_100000717100_100000189650 [0,1,0,0,0,1|2,0,0]=4 2301 B13R1.167 CC(=O)NCCSc1ccsc1C 62a_100000189650_100000684487 [0,1,0,0,0,1|2,0,0]=4 2302 B13R1.167 CC(=O)NCCSc1ccsc1C 62a_100000684487_100000189650 [0,1,0,0,0,1|2,0,0]=4 2303 B13R1.167 CC(=O)NCCSc1cncn1C 62a_100000189650_100009814087 [0,1,0,0,0,1|0,0,2]=4 2304 B13R1.167 CC(=O)NCCSc1cncn1C 62a_100009814087_100000189650 [0,1,0,0,0,1|0,0,2]=4 2305 B13R1.167 CC(=O)NCCSc1cscc1Br 62a_100000189650_100010143727 [0,1,0,0,0,1|2,0,0]=4 2306 B13R1.167 CC(=O)NCCSc1cscc1Br 62a_100010143727_100000189650 [0,1,0,0,0,1|2,0,0]=4 2307 B13R1.167 CC(=O)NCCSc1cscc1C 62a_100000189650_100000759966 [0,1,0,0,0,1|2,0,0]=4 2308 B13R1.167 CC(=O)NCCSc1cscc1C 62a_100000759966_100000189650 [0,1,0,0,0,1|2,0,0]=4 2309 B13R1.167 CC(=O)NCCSc1n[nH]cc1Br 62a_100000189650_100015839836 [0,1,0,0,0,1|2,0,0]=4 2310 B13R1.167 CC(=O)NCCSc1n[nH]cc1Br 62a_100015839836_100000189650 [0,1,0,0,0,1|2,0,0]=4 2311 B13R1.167 CC(=O)NCCSc1n[nH]cc1C 62a_100000189650_100009871783 [0,1,0,0,0,1|2,0,0]=4 2312 B13R1.167 CC(=O)NCCSc1n[nH]cc1C 62a_100009871783_100000189650 [0,1,0,0,0,1|2,0,0]=4 2313 B13R1.167 CC(=O)NCCSc1n[nH]cc1N 62a_100000189650_100010894806 [0,1,0,0,0,1|2,0,0]=4 2314 B13R1.167 CC(=O)NCCSc1n[nH]cc1N 62a_100010894806_100000189650 [0,1,0,0,0,1|2,0,0]=4 2315 B13R1.167 CC(=O)NCCSc1nc[nH]c1C 62a_100000189650_100010186451 [0,1,0,0,0,1|0,0,0]=2 2316 B13R1.167 CC(=O)NCCSc1nc[nH]c1C 62a_100010186451_100000189650 [0,1,0,0,0,1|0,0,0]=2 2317 B13R1.167 CC(=O)NCCSc1nccn1C 240690a_100025754576_100015343762 [0,1,0,0,0,1|2,0,0]=4 2318 B13R1.167 CC(=O)NCCSc1nccn1C 527a_100025754576_100103153847 [0,1,0,0,0,1|2,0,0]=4 2319 B13R1.167 CC(=O)NCCSc1nccn1C 62a_100000189650_100000707724 [0,1,0,0,0,1|2,0,0]=4 2320 B13R1.167 CC(=O)NCCSc1nccn1C 62a_100000707724_100000189650 [0,1,0,0,0,1|2,0,0]=4 2321 B13R1.167 CC(=O)NCCSc1ncnn1C 62a_100000189650_100000732653 [0,1,0,0,0,1|1,0,1]=4 2322 B13R1.167 CC(=O)NCCSc1ncnn1C 62a_100000732653_100000189650 [0,1,0,0,0,1|1,0,1]=4 2323 B13R1.167 CC(=O)NCCSc1ncsc1C 62a_100000189650_100000732656 [0,1,0,0,0,1|1,0,0]=3 2324 B13R1.167 CC(=O)NCCSc1ncsc1C 62a_100000732656_100000189650 [0,1,0,0,0,1|1,0,0]=3 2325 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100000189650_100012361411 [0,1,0,0,0,1|2,0,0]=4 2326 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100012361411_100000189650 [0,1,0,0,0,1|2,0,0]=4 2327 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100000189650_100010247149 [0,1,0,0,0,1|2,0,0]=4 2328 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100010247149_100000189650 [0,1,0,0,0,1|2,0,0]=4 2329 B13R1.167 CC(=O)NCCSc1scnc1C 62a_100000189650_100009817116 [0,1,0,0,0,1|1,0,1]=4 2330 B13R1.167 CC(=O)NCCSc1scnc1C 62a_100009817116_100000189650 [0,1,0,0,0,1|1,0,1]=4 2331 B13R1.167 CC(=O)OCC=Cc1nc[nH]c1C 271570a_200000047263_100009816806 [0,1,0,0,0,1|1,0,1]=4 2332 B13R1.167 CC(=O)OCCSc1nc[nH]c1C 62a_100009814007_100010186451 [0,1,0,0,0,1|1,0,0]=3 2333 B13R1.167 CC(=O)OCCSc1nc[nH]c1C 62a_100010186451_100009814007 [0,1,0,0,0,1|1,0,0]=3 2334 B13R1.167 CC(=O)OCCSc1ncsc1C 62a_100000732656_100009814007 [0,1,0,0,0,1|2,0,0]=4 2335 B13R1.167 CC(=O)OCCSc1ncsc1C 62a_100009814007_100000732656 [0,1,0,0,0,1|2,0,0]=4 2336 B13R1.167 CC(=O)OCOCc1ncoc1C 34a_100012017639_100009813279 [0,1,0,0,0,1|2,0,0]=4 2337 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000076356_100000751220 [0,1,0,0,0,1|1,0,0]=3 2338 B13R1.167 CC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000076356 [0,1,0,0,0,1|1,0,0]=3 2339 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_100000076356_200000693990 [0,1,0,0,0,1|2,0,0]=4 2340 B13R1.167 CC(=O)OCSCc1ncoc1C 62a_200000693990_100000076356 [0,1,0,0,0,1|2,0,0]=4 2341 B13R1.167 Cc1[nH]cnc1CNCCC(=O)N 207a_100000740010_100000032982 [0,1,0,0,0,1|2,0,0]=4 2342 B13R1.167 Cc1[nH]cnc1CSCCC(=O)N 62a_100000744528_100000751220 [0,1,0,0,0,1|2,0,0]=4 2343 B13R1.167 Cc1[nH]cnc1CSCCC(=O)N 62a_100000751220_100000744528 [0,1,0,0,0,1|2,0,0]=4 2344 B13R1.167 Cc1[nH]cnc1SCCCC(=O)N 62a_100010186451_100102525003 [0,1,0,0,0,1|2,0,0]=4 2345 B13R1.167 Cc1[nH]cnc1SCCCC(=O)N 62a_100102525003_100010186451 [0,1,0,0,0,1|2,0,0]=4 2346 B13R1.167 Cc1[nH]cnc1SCCNC(=O)N 62a_100010186451_200000034859 [0,1,0,0,0,1|1,0,0]=3 2347 B13R1.167 Cc1[nH]cnc1SCCNC(=O)N 62a_200000034859_100010186451 [0,1,0,0,0,1|1,0,0]=3 2348 B13R1.167 Cc1[nH]cnc1SCCOC(=O)N 62a_100010186451_200011214921 [0,1,0,0,0,1|2,0,0]=4 2349 B13R1.167 Cc1[nH]cnc1SCCOC(=O)N 62a_200011214921_100010186451 [0,1,0,0,0,1|2,0,0]=4 2350 B13R1.167 Cc1scnc1SCCNC(=O)N 62a_100000732656_200000034859 [0,1,0,0,0,1|2,0,0]=4 2351 B13R1.167 Cc1scnc1SCCNC(=O)N 62a_200000034859_100000732656 [0,1,0,0,0,1|2,0,0]=4 2352 B13R1.344 C=C(C)CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000730704 [0,1,0,0,0,1|2,0,0]=4 2353 B13R1.344 C=C(C)CCC(=O)Cc1c[nH]cn1 1458a_200000688413_100000707719 [0,1,0,0,0,1|2,0,0]=4 2354 B13R1.344 C=C(C)CNC(=O)Cc1c[nH]cn1 240690a_100000765925_100015291406 [0,1,0,0,0,1|1,0,1]=4 2355 B13R1.344 CC(=CCC(=O)Cc1c[nH]cn1)C 1458a_100011220947_100000707719 [0,1,0,0,0,1|2,0,0]=4 2356 B13R1.344 CC(=CCC(=O)Cc1c[nH]cn1)C 1458a_100015291406_100000761012 [0,1,0,0,0,1|2,0,0]=4 2357 B13R1.344 CC(=O)CCN(C)Cc1cscn1 269982a_100000225794_100000053229 [0,1,0,0,0,1|2,0,0]=4 2358 B13R1.344 CC(=O)NCC(=O)Cc1c[nH]cn1 1458a_100000194580_100000707719 [0,1,0,0,0,1|0,0,0]=2 2359 B13R1.344 CC(=O)NCC(=O)Cc1ccon1 1458a_100000194580_100000234950 [0,1,0,0,0,1|2,0,0]=4 2360 B13R1.344 CC(=O)NCC(=O)Cc1ccsc1 1458a_100000194580_100011233845 [0,1,0,0,0,1|2,0,0]=4 2361 B13R1.344 CC(=O)NCC(=O)Cc1cncs1 1458a_100000194580_100015185245 [0,1,0,0,0,1|1,0,1]=4 2362 B13R1.344 CC(=O)NCC(=O)Cc1cscn1 1458a_100000194580_100000205941 [0,1,0,0,0,1|1,0,0]=3 2363 B13R1.344 CC(=O)NCC(=O)Cc1ncco1 1458a_100000194580_103436540062 [0,1,0,0,0,1|2,0,0]=4 2364 B13R1.344 CC(=O)NCC(=O)Cc1nccs1 1458a_100000194580_100015184050 [0,1,0,0,0,1|2,0,0]=4 2365 B13R1.344 CC(=O)NCC(=O)Cn1cncn1 1458a_100000194580_200020645497 [0,1,0,0,0,1|1,0,1]=4 2366 B13R1.344 CC(=O)NNC(=O)Cc1c[nH]cn1 22a_100000189765_100015291406 [0,1,0,0,0,1|0,0,1]=3 2367 B13R1.344 CC(=O)NNC(=O)Cc1cscn1 22a_100000189765_100011438297 [0,1,0,0,0,1|1,0,1]=4 2368 B13R1.344 CC(=O)OCC(=O)Cc1c[nH]cn1 1458a_100000183556_100000707719 [0,1,0,0,0,1|1,0,0]=3 2369 B13R1.344 CC(=O)OCC(=O)Cc1cscn1 1458a_100000183556_100000205941 [0,1,0,0,0,1|2,0,0]=4 2370 B13R1.344 CC(=O)OCN(C)Cc1cscn1 269982a_100000225794_100000076356 [0,1,0,0,0,1|2,0,0]=4 2371 B13R1.344 CC(=O)SCC(=O)Cc1c[nH]cn1 1458a_100000049016_100000707719 [0,1,0,0,0,1|1,0,0]=3 2372 B13R1.344 CC(=O)SCC(=O)Cc1cscn1 1458a_100000049016_100000205941 [0,1,0,0,0,1|2,0,0]=4 2373 B13R1.344 CN(CCC(=O)N)Cc1c[nH]cn1 2230a_100000730477_100000707719 [0,1,0,0,0,1|2,0,0]=4 2374 B13R1.344 NC(=O)CCC(=O)Cc1c[nH]cn1 1458a_100011215257_100000707719 [0,1,0,0,0,1|2,0,0]=4 2375 B13R1.344 NC(=O)CNC(=O)Cc1c[nH]cn1 240690a_100000711301_100015291406 [0,1,0,0,0,1|1,0,1]=4 2376 B13R1.344 NC(=O)NCC(=O)Cc1c[nH]cn1 1458a_100000184981_100000707719 [0,1,0,0,0,1|1,0,0]=3 2377 B13R1.344 NC(=O)NCC(=O)Cc1cscn1 1458a_100000184981_100000205941 [0,1,0,0,0,1|2,0,0]=4 2378 B13R1.536 C#C/C(=C\COCc1c[nH]cn1)/C 34a_100016990848_100000707719 [0,1,0,0,0,1|2,0,0]=4 2379 B13R1.536 C=CC(=O)OCCSc1c[nH]cn1 62a_100000756875_100009813456 [0,1,0,0,0,1|1,0,1]=4 2380 B13R1.536 C=CC(=O)OCCSc1c[nH]cn1 62a_100009813456_100000756875 [0,1,0,0,0,1|1,0,1]=4 2381 B13R1.536 CCC(=O)CSCCc1c[nH]cn1 62a_100000747405_100020628418 [0,1,0,0,0,1|1,0,0]=3 2382 B13R1.536 CCC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747405 [0,1,0,0,0,1|1,0,0]=3 2383 B13R1.536 CCC(=O)NCCCn1cccn1 11a_100000737576_100000210414 [0,1,0,0,0,1|2,0,0]=4 2384 B13R1.536 CCC(=O)NCCCn1cccn1 240690a_100000737576_100000210414 [0,1,0,0,0,1|2,0,0]=4 2385 B13R1.536 CCC(=O)NCCCn1cccn1 527a_100000737576_100000210414 [0,1,0,0,0,1|2,0,0]=4 2386 B13R1.536 CCC(=O)NCCCn1cncn1 11a_100015184301_100000210414 [0,1,0,0,0,1|1,0,1]=4 2387 B13R1.536 CCC(=O)NCCCn1cncn1 240690a_100015184301_100000210414 [0,1,0,0,0,1|1,0,1]=4 2388 B13R1.536 CCC(=O)NCCCn1cncn1 527a_100015184301_100000210414 [0,1,0,0,0,1|1,0,1]=4 2389 B13R1.536 CCC(=O)NCCNc1ncns1 27a_100132302217_100000693119 [0,1,0,0,0,1|1,0,1]=4 2390 B13R1.536 CCC(=O)NCCSc1ncn[nH]1 240690a_200015184488_100000210414 [0,1,0,0,0,1|1,0,1]=4 2391 B13R1.536 CCC(C)CNCCc1c[nH]cn1 2230a_100020588543_100020628418 [0,1,0,0,0,1|1,0,1]=4 2392 B13R1.536 CCC(C)CNCCc1c[nH]cn1 270004a_100000755092_100000243153 [0,1,0,0,0,1|1,0,1]=4 2393 B13R1.536 CCC(O)CNCCc1c[nH]cn1 2230a_100011218483_100020628418 [0,1,0,0,0,1|0,0,2]=4 2394 B13R1.536 CNC(=O)CCCSc1c[nH]cn1 62a_100000741757_100000756875 [0,1,0,0,0,1|1,0,0]=3 2395 B13R1.536 CNC(=O)CCCSc1c[nH]cn1 62a_100000756875_100000741757 [0,1,0,0,0,1|1,0,0]=3 2396 B13R1.536 CNC(=O)CCCSc1c[nH]nn1 62a_100000741757_100009819707 [0,1,0,0,0,1|2,0,0]=4 2397 B13R1.536 CNC(=O)CCCSc1c[nH]nn1 62a_100009819707_100000741757 [0,1,0,0,0,1|2,0,0]=4 2398 B13R1.536 CNC(=O)CCCSc1cscn1 62a_100000741757_100000751502 [0,1,0,0,0,1|2,0,0]=4 2399 B13R1.536 CNC(=O)CCCSc1cscn1 62a_100000751502_100000741757 [0,1,0,0,0,1|2,0,0]=4 2400 B13R1.536 CNC(=O)CCCSc1nc[nH]n1 62a_100000741757_100000761765 [0,1,0,0,0,1|2,0,0]=4 2401 B13R1.536 CNC(=O)CCCSc1nc[nH]n1 62a_100000761765_100000741757 [0,1,0,0,0,1|2,0,0]=4 2402 B13R1.536 CNC(=O)CCNCc1c[nH]cn1 2230a_100000738227_100000707719 [0,1,0,0,0,1|1,0,0]=3 2403 B13R1.536 CNC(=O)CCNCc1c[nH]cn1 34a_100000738227_100000707719 [0,1,0,0,0,1|1,0,0]=3 2404 B13R1.536 CNC(=O)CCNCc1cocn1 270004a_100000738227_100000050382 [0,1,0,0,0,1|2,0,0]=4 2405 B13R1.536 CNC(=O)CCNCc1cscn1 207a_100000738227_100000743575 [0,1,0,0,0,1|2,0,0]=4 2406 B13R1.536 CNC(=O)CCNCc1cscn1 2230a_100000738227_100000205941 [0,1,0,0,0,1|2,0,0]=4 2407 B13R1.536 CNC(=O)CCNCc1cscn1 2230a_100015185402_100000737683 [0,1,0,0,0,1|2,0,0]=4 2408 B13R1.536 CNC(=O)CCNCc1cscn1 270004a_100000738227_100000743575 [0,1,0,0,0,1|2,0,0]=4 2409 B13R1.536 CNC(=O)CCNCc1cscn1 34a_100000738227_100000205941 [0,1,0,0,0,1|2,0,0]=4 2410 B13R1.536 CNC(=O)CCOCc1c[nH]cn1 34a_100000754576_100000707719 [0,1,0,0,0,1|1,0,0]=3 2411 B13R1.536 CNC(=O)CCOCc1cscn1 34a_100000754576_100000205941 [0,1,0,0,0,1|2,0,0]=4 2412 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000737683 [0,1,0,0,0,1|1,0,0]=3 2413 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000737683_100000707719 [0,1,0,0,0,1|1,0,0]=3 2414 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000205941_100000737683 [0,1,0,0,0,1|2,0,0]=4 2415 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000737683_100000205941 [0,1,0,0,0,1|2,0,0]=4 2416 B13R1.536 CNC(=O)CNCCc1c[nH]cn1 2230a_100000693194_100020628418 [0,1,0,0,0,1|0,0,0]=2 2417 B13R1.536 CNC(=O)CNCCc1ccco1 2230a_100000694680_100000183359 [0,1,0,0,0,1|2,0,0]=4 2418 B13R1.536 CNC(=O)CNCCc1ccco1 34a_100000694680_100000183359 [0,1,0,0,0,1|2,0,0]=4 2419 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000203755_100000183359 [0,1,0,0,0,1|2,0,0]=4 2420 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000693194_100000748579 [0,1,0,0,0,1|2,0,0]=4 2421 B13R1.536 CNC(=O)CNCCc1cccs1 34a_100000203755_100000183359 [0,1,0,0,0,1|2,0,0]=4 2422 B13R1.536 CNC(=O)CNCCc1ccsc1 2230a_100000692642_100000183359 [0,1,0,0,0,1|2,0,0]=4 2423 B13R1.536 CNC(=O)CNCCc1ccsc1 34a_100000692642_100000183359 [0,1,0,0,0,1|2,0,0]=4 2424 B13R1.536 CNC(=O)CNCCc1cn[nH]c1 2230a_100000693194_100000743252 [0,1,0,0,0,1|2,0,0]=4 2425 B13R1.536 CNC(=O)CNCCc1cn[nH]c1 2230a_100000732747_100000183359 [0,1,0,0,0,1|2,0,0]=4 2426 B13R1.536 CNC(=O)CNCCc1cncs1 2230a_100016991637_100000183359 [0,1,0,0,0,1|1,0,1]=4 2427 B13R1.536 CNC(=O)CNCCc1nccs1 2230a_100015186391_100000183359 [0,1,0,0,0,1|2,0,0]=4 2428 B13R1.536 CNC(=O)CNCCn1cccn1 2230a_100000693194_100000685285 [0,1,0,0,0,1|2,0,0]=4 2429 B13R1.536 CNC(=O)CNCCn1cccn1 2230a_100011200920_100000183359 [0,1,0,0,0,1|2,0,0]=4 2430 B13R1.536 CNC(=O)CNCCn1cncn1 2230a_100000693194_100000731791 [0,1,0,0,0,1|1,0,1]=4 2431 B13R1.536 CNC(=O)CNCCn1cncn1 2230a_200000738561_100000183359 [0,1,0,0,0,1|1,0,1]=4 2432 B13R1.536 CNC(=O)CSCCc1c[nH]cn1 62a_100000183359_100020628418 [0,1,0,0,0,1|1,0,0]=3 2433 B13R1.536 CNC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000183359 [0,1,0,0,0,1|1,0,0]=3 2434 B13R1.536 CNC(=O)NCCCn1cccn1 2708a_100000737576_106832991635 [0,1,0,0,0,1|2,0,0]=4 2435 B13R1.536 CNC(=O)NCCCn1cccn1 2708a_100102657272_100000737576 [0,1,0,0,0,1|2,0,0]=4 2436 B13R1.536 CNC(=O)NCCCn1cccn1 273464a_100000737576_100102657272 [0,1,0,0,0,1|2,0,0]=4 2437 B13R1.536 CNC(=O)NCCCn1cccn1 273464a_100102657272_100000737576 [0,1,0,0,0,1|2,0,0]=4 2438 B13R1.536 CNC(=O)NCCCn1cccn1 512a_100000737576_100102657272 [0,1,0,0,0,1|2,0,0]=4 2439 B13R1.536 CNC(=O)NCCCn1cccn1 512a_106832991638_100000737576 [0,1,0,0,0,1|2,0,0]=4 2440 B13R1.536 CNC(=O)NCCCn1cncn1 2708a_100015184301_106832991635 [0,1,0,0,0,1|1,0,1]=4 2441 B13R1.536 CNC(=O)NCCCn1cncn1 2708a_100102657272_100015184301 [0,1,0,0,0,1|1,0,1]=4 2442 B13R1.536 CNC(=O)NCCCn1cncn1 273464a_100015184301_100102657272 [0,1,0,0,0,1|1,0,1]=4 2443 B13R1.536 CNC(=O)NCCCn1cncn1 273464a_100102657272_100015184301 [0,1,0,0,0,1|1,0,1]=4 2444 B13R1.536 CNC(=O)NCCCn1cncn1 512a_100015184301_100102657272 [0,1,0,0,0,1|1,0,1]=4 2445 B13R1.536 CNC(=O)NCCCn1cncn1 512a_106832991638_100015184301 [0,1,0,0,0,1|1,0,1]=4 2446 B13R1.536 CNC(=O)NCCNc1ncns1 27a_100015205895_100000693119 [0,1,0,0,0,1|1,0,1]=4 2447 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 2708a_100102657272_200015184488 [0,1,0,0,0,1|1,0,1]=4 2448 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 2708a_200015184488_106832991635 [0,1,0,0,0,1|1,0,1]=4 2449 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 273464a_100102657272_200015184488 [0,1,0,0,0,1|1,0,1]=4 2450 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 273464a_200015184488_100102657272 [0,1,0,0,0,1|1,0,1]=4 2451 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 512a_106832991638_200015184488 [0,1,0,0,0,1|1,0,1]=4 2452 B13R1.536 CNC(=O)NCCSc1ncn[nH]1 512a_200015184488_100102657272 [0,1,0,0,0,1|1,0,1]=4 2453 B13R1.536 CNC(=O)OCCSc1c[nH]cn1 62a_100000756875_200011997002 [0,1,0,0,0,1|1,0,0]=3 2454 B13R1.536 CNC(=O)OCCSc1c[nH]cn1 62a_200011997002_100000756875 [0,1,0,0,0,1|1,0,0]=3 2455 B13R1.536 CNC(=O)OCCSc1c[nH]nn1 62a_100009819707_200011997002 [0,1,0,0,0,1|2,0,0]=4 2456 B13R1.536 CNC(=O)OCCSc1c[nH]nn1 62a_200011997002_100009819707 [0,1,0,0,0,1|2,0,0]=4 2457 B13R1.536 CNC(=O)OCCSc1cscn1 62a_100000751502_200011997002 [0,1,0,0,0,1|2,0,0]=4 2458 B13R1.536 CNC(=O)OCCSc1cscn1 62a_200011997002_100000751502 [0,1,0,0,0,1|2,0,0]=4 2459 B13R1.536 CNC(=O)OCCSc1nc[nH]n1 62a_100000761765_200011997002 [0,1,0,0,0,1|2,0,0]=4 2460 B13R1.536 CNC(=O)OCCSc1nc[nH]n1 62a_200011997002_100000761765 [0,1,0,0,0,1|2,0,0]=4 2461 B13R1.536 COC(=O)/C=C/CSc1c[nH]cn1 62a_100000742655_100000756875 [0,1,0,0,0,1|1,0,1]=4 2462 B13R1.536 COC(=O)/C=C/CSc1c[nH]cn1 62a_100000756875_100000742655 [0,1,0,0,0,1|1,0,1]=4 2463 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011218270 [0,1,0,0,0,1|1,0,0]=3 2464 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100011218270_100000756875 [0,1,0,0,0,1|1,0,0]=3 2465 B13R1.536 COC(=O)CCCSc1c[nH]nn1 62a_100009819707_100011218270 [0,1,0,0,0,1|2,0,0]=4 2466 B13R1.536 COC(=O)CCCSc1c[nH]nn1 62a_100011218270_100009819707 [0,1,0,0,0,1|2,0,0]=4 2467 B13R1.536 COC(=O)CCCSc1cscn1 62a_100000751502_100011218270 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.536 COC(=O)CCCSc1cscn1 62a_100011218270_100000751502 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.536 COC(=O)CCCSc1nc[nH]n1 62a_100000761765_100011218270 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.536 COC(=O)CCCSc1nc[nH]n1 62a_100011218270_100000761765 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.536 COC(=O)CCNCc1cscn1 2230a_100015185402_100000204255 [0,1,0,0,0,1|2,0,0]=4 2472 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000204255_100000707719 [0,1,0,0,0,1|1,0,0]=3 2473 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000204255 [0,1,0,0,0,1|1,0,0]=3 2474 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000204255_100000205941 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000205941_100000204255 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.536 COC(=O)CNCCc1ccco1 2230a_100000694680_100000747449 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.536 COC(=O)CNCCc1ccco1 34a_100000694680_100000747449 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.536 COC(=O)CNCCc1cccs1 2230a_100000203755_100000747449 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.536 COC(=O)CNCCc1cccs1 34a_100000203755_100000747449 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.536 COC(=O)CNCCc1ccsc1 2230a_100000692642_100000747449 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.536 COC(=O)CNCCc1ccsc1 34a_100000692642_100000747449 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.536 COC(=O)CNCCc1cn[nH]c1 2230a_100000732747_100000747449 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.536 COC(=O)CNCCc1cncs1 2230a_100016991637_100000747449 [0,1,0,0,0,1|1,0,1]=4 2484 B13R1.536 COC(=O)CNCCc1nccs1 2230a_100015186391_100000747449 [0,1,0,0,0,1|2,0,0]=4 2485 B13R1.536 COC(=O)CNCCn1cccn1 2230a_100011200920_100000747449 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.536 COC(=O)CNCCn1cncn1 2230a_200000738561_100000747449 [0,1,0,0,0,1|1,0,1]=4 2487 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100000747449_100020628418 [0,1,0,0,0,1|1,0,0]=3 2488 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747449 [0,1,0,0,0,1|1,0,0]=3 2489 B13R1.536 COC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000139417 [0,1,0,0,0,1|1,0,0]=3 2490 B13R1.536 COC(=O)OCSCc1cscn1 62a_100000205941_100000139417 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.536 CO[C@H](C)CNCCc1c[nH]cn1 2230a_100020591295_100020628418 [0,1,0,0,0,1|0,0,2]=4 2492 B13R1.536 O=C(CO)NCCCn1cccn1 240690a_100000737576_100000210174 [0,1,0,0,0,1|2,0,0]=4 2493 B13R1.536 O=C(CO)NCCCn1cccn1 527a_100000737576_100000210174 [0,1,0,0,0,1|2,0,0]=4 2494 B13R1.536 O=C(CO)NCCCn1cncn1 240690a_100015184301_100000210174 [0,1,0,0,0,1|1,0,1]=4 2495 B13R1.536 O=C(CO)NCCCn1cncn1 527a_100015184301_100000210174 [0,1,0,0,0,1|1,0,1]=4 2496 B13R1.536 O=C(CO)NCCSc1ncn[nH]1 240690a_200015184488_100000210174 [0,1,0,0,0,1|1,0,1]=4 2497 B13R1.536 OC[C@@H](O)CNCCc1c[nH]cn1 2230a_100020644852_100020628418 [0,1,0,0,0,1|0,0,2]=4 2498 B13R1.593 C=C(C)CN(C)CCc1c[nH]cn1 2230a_100000225649_100020628418 [0,1,0,0,0,1|1,0,0]=3 2499 B13R1.593 C=C(C)CN(C)CCc1c[nH]cn1 269982a_100000225649_100020628418 [0,1,0,0,0,1|1,0,0]=3 2500 B13R1.593 CC(=CC(=O)CCc1c[nH]cn1)C 1458a_100000211388_100020628418 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.593 CC(=CC(=O)CCc1c[nH]cn1)Cl 1458a_200042562850_100020628418 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.593 CC(=CC(=O)CCc1c[nH]cn1)I 1458a_100025716642_100020628418 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.593 CC(=CC(C)OCc1c[nH]cn1)C 34a_100000717055_100000707719 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.593 CC(=O)NC(=O)CSc1c[nH]cn1 62a_100000756875_100000183797 [0,1,0,0,0,1|0,0,1]=3 2505 B13R1.593 CC(=O)NC(=O)CSc1c[nH]nn1 62a_100009819707_100000183797 [0,1,0,0,0,1|1,0,1]=4 2506 B13R1.593 CC(=O)NC(=O)CSc1cscn1 62a_100000751502_100000183797 [0,1,0,0,0,1|1,0,1]=4 2507 B13R1.593 CC(=O)NC(=O)CSc1nc[nH]n1 62a_100000761765_100000183797 [0,1,0,0,0,1|1,0,1]=4 2508 B13R1.593 CC(=O)NC(C)CCc1ccco1 11a_100000199034_100015343762 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.593 CC(=O)NC(C)CCc1ccco1 1626a_100000199034_100015343762 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.593 CC(=O)NC(C)CCc1ccco1 527a_100000199034_100103153847 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.593 CC(=O)OC(C)SCc1c[nH]cn1 62a_100000707719_100009818208 [0,1,0,0,0,1|1,0,0]=3 2512 B13R1.593 CC(=O)OC(C)SCc1c[nH]cn1 62a_100009818208_100000707719 [0,1,0,0,0,1|1,0,0]=3 2513 B13R1.593 CC(=O)OC(C)SCc1cscn1 62a_100000205941_100009818208 [0,1,0,0,0,1|2,0,0]=4 2514 B13R1.593 CC(=O)OC(C)SCc1cscn1 62a_100009818208_100000205941 [0,1,0,0,0,1|2,0,0]=4 2515 B13R1.593 CC(C)CN(C)CCc1c[nH]cn1 2230a_100000747067_100020628418 [0,1,0,0,0,1|1,0,1]=4 2516 B13R1.593 CC(C)CN(C)CCc1c[nH]cn1 269982a_100000747067_100020628418 [0,1,0,0,0,1|1,0,1]=4 2517 B13R1.593 CC(O)CN(C)CCc1c[nH]cn1 2230a_100000227577_100020628418 [0,1,0,0,0,1|0,0,2]=4 2518 B13R1.593 CC(O)CN(C)CCc1c[nH]cn1 269982a_100000227577_100020628418 [0,1,0,0,0,1|0,0,2]=4 2519 B13R1.593 CN(CCc1c[nH]cn1)CC(=O)N 2230a_100000739694_100020628418 [0,1,0,0,0,1|1,0,0]=3 2520 B13R1.593 CN(CCc1c[nH]cn1)CC(=O)O 269956a_100000746989_100020628418 [0,1,0,0,0,1|1,0,0]=3 2521 B13R1.593 NC(=O)CC(=O)CCc1c[nH]cn1 1458a_100134613110_100020628418 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.593 NC(=O)NC(=O)CSc1c[nH]cn1 62a_100000756875_100000182717 [0,1,0,0,0,1|1,0,1]=4 2523 B13R1.1110 C=C(Br)C(=O)NCCc1c[nH]cn1 11a_100000755092_100009813364 [0,1,0,0,0,1|1,0,1]=4 2524 B13R1.1110 C=C(C)C(=O)NCCc1c[nH]cn1 11a_100000755092_100000185857 [0,1,0,0,0,1|1,0,0]=3 2525 B13R1.1110 C=C(Cl)C(=O)NCCc1c[nH]cn1 11a_100000755092_100000039160 [0,1,0,0,0,1|1,0,1]=4 2526 B13R1.1110 C=C(F)C(=O)NCCc1c[nH]cn1 11a_100000755092_100000036797 [0,1,0,0,0,1|1,0,1]=4 2527 B13R1.1110 CC(=O)C(=O)CSCc1c[nH]cn1 62a_100000707719_100011261029 [0,1,0,0,0,1|1,0,0]=3 2528 B13R1.1110 CC(=O)C(=O)CSCc1c[nH]cn1 62a_100011261029_100000707719 [0,1,0,0,0,1|1,0,0]=3 2529 B13R1.1110 CC(=O)C(=O)CSCc1cscn1 62a_100000205941_100011261029 [0,1,0,0,0,1|2,0,0]=4 2530 B13R1.1110 CC(=O)C(=O)CSCc1cscn1 62a_100011261029_100000205941 [0,1,0,0,0,1|2,0,0]=4 2531 B13R1.1110 CC(=O)C(C)COCc1c[nH]cn1 34a_100000032740_100000707719 [0,1,0,0,0,1|1,0,0]=3 2532 B13R1.1110 CC(=O)C(C)COCc1cscn1 34a_100000032740_100000205941 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.1110 CC(=O)C(C)COCc1cscn1 7a_100000032740_100000205941 [0,1,0,0,0,1|2,0,0]=4 2534 B13R1.1110 CC(=O)C(C)NCCc1ccco1 2230a_100000694680_100009814033 [0,1,0,0,0,1|2,0,0]=4 2535 B13R1.1110 CC(=O)C(C)NCCc1cccs1 2230a_100000203755_100009814033 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.1110 CC(=O)C(C)NCCc1ccsc1 2230a_100000692642_100009814033 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.1110 CC(=O)C(C)NCCc1cn[nH]c1 2230a_100000732747_100009814033 [0,1,0,0,0,1|2,0,0]=4 2538 B13R1.1110 CC(=O)C(C)NCCc1cncs1 2230a_100016991637_100009814033 [0,1,0,0,0,1|1,0,1]=4 2539 B13R1.1110 CC(=O)C(C)NCCc1nccs1 2230a_100015186391_100009814033 [0,1,0,0,0,1|2,0,0]=4 2540 B13R1.1110 CC(=O)C(C)NCCn1cccn1 2230a_100011200920_100009814033 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.1110 CC(=O)C(C)NCCn1cncn1 2230a_200000738561_100009814033 [0,1,0,0,0,1|1,0,1]=4 2542 B13R1.1110 CC(=O)C(C)SCCc1c[nH]cn1 62a_100009814033_100020628418 [0,1,0,0,0,1|1,0,0]=3 2543 B13R1.1110 CC(=O)C(C)SCCc1c[nH]cn1 62a_100020628418_100009814033 [0,1,0,0,0,1|1,0,0]=3 2544 B13R1.1110 CC(C)C(=O)NCCc1c[nH]cn1 11a_100000755092_100000210198 [0,1,0,0,0,1|1,0,1]=4 2545 B13R1.1110 CC(C)C(=O)NCCc1c[nH]cn1 527a_100000755092_100000210198 [0,1,0,0,0,1|1,0,1]=4 2546 B13R1.1110 CC(C)C(C)NCCc1c[nH]cn1 2230a_100000211541_100020628418 [0,1,0,0,0,1|1,0,1]=4 2547 B13R1.1110 CC(CNCc1c[nH]cn1)C(=O)O 269956a_100000749485_100000707719 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.1110 CC(F)C(=O)NCCc1c[nH]cn1 11a_100000755092_100000062450 [0,1,0,0,0,1|1,0,1]=4 2549 B13R1.1110 CC(F)C(=O)NCCc1c[nH]cn1 527a_100000755092_100000062450 [0,1,0,0,0,1|1,0,1]=4 2550 B13R1.1110 CC(SCCc1c[nH]cn1)C(=O)N 62a_100000702099_100020628418 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.1110 CC(SCCc1c[nH]cn1)C(=O)N 62a_100020628418_100000702099 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.1110 CN(C)C(=O)NCCc1c[nH]cn1 2708a_100000755092_100102631434 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.1110 C[C@@H](NCCc1c[nH]cn1)C(=O)N 2230a_100000119354_100020628418 [0,1,0,0,0,1|1,0,0]=3 2554 B13R1.1110 C[C@@H](OCCc1c[nH]cn1)C(=O)N 7a_100000731257_100020628418 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.1110 C[C@H](NCCc1c[nH]cn1)C(=O)O 269956a_100000743915_100020628418 [0,1,0,0,0,1|1,0,0]=3 2556 B13R1.1110 C[C@H](OCCc1c[nH]cn1)C(=O)[O-] 7a_217856618621_100020628418 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.1110 NC(=O)C(F)SCCc1c[nH]cn1 62a_100009813875_100020628418 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.1110 NC(=O)C(F)SCCc1c[nH]cn1 62a_100020628418_100009813875 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.1110 NC(=O)[C@@H](N)COCc1c[nH]cn1 34a_100000729942_100000707719 [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.1110 O=C(O)C(F)CNCc1c[nH]cn1 269956a_100000084737_100000707719 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.1110 O=C([O-])C(F)SCCc1c[nH]cn1 62a_100020610796_100020628418 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.1110 O=C([O-])C(F)SCCc1c[nH]cn1 62a_100020628418_100020610796 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.2904 CC(C)(C)CNCCc1c[nH]cn1 2230a_100000743828_100020628418 [0,1,0,0,0,1|1,0,1]=4 2564 B13R1.2904 CC(C)(C)CNCCc1c[nH]cn1 270004a_100000755092_100011204126 [0,1,0,0,0,1|1,0,1]=4 2565 B13R1.2904 CC(C)(F)CNCCc1c[nH]cn1 2230a_100020643315_100020628418 [0,1,0,0,0,1|1,0,1]=4 2566 B13R1.2904 CC(C)(O)CNCCc1c[nH]cn1 2230a_100000751335_100020628418 [0,1,0,0,0,1|0,0,2]=4 2567 B13R1.2904 CS(=O)(=O)CCCSc1c[nH]cn1 62a_100000754308_100000756875 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.2904 CS(=O)(=O)CCCSc1c[nH]cn1 62a_100000756875_100000754308 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.2904 CS(=O)(=O)CCNCc1c[nH]cn1 2230a_100000740961_100000707719 [0,1,0,0,0,1|2,0,0]=4 2570 B13R1.2904 CS(=O)(=O)CCNCc1c[nH]cn1 34a_100000740961_100000707719 [0,1,0,0,0,1|2,0,0]=4 2571 B13R1.2904 CS(=O)(=O)CCOCc1c[nH]cn1 34a_100000211924_100000707719 [0,1,0,0,0,1|2,0,0]=4 2572 B13R1.2904 CS(=O)(=O)CCSCc1c[nH]cn1 62a_100000707719_100000230027 [0,1,0,0,0,1|2,0,0]=4 2573 B13R1.2904 CS(=O)(=O)CCSCc1c[nH]cn1 62a_100000731031_100000707719 [0,1,0,0,0,1|2,0,0]=4 2574 B13R1.2904 CS(=O)(=O)NCCSc1c[nH]cn1 62a_100000754112_100000756875 [0,1,0,0,0,1|1,0,0]=3 2575 B13R1.2904 CS(=O)(=O)NCCSc1c[nH]cn1 62a_100000756875_100000754112 [0,1,0,0,0,1|1,0,0]=3 2576 B13R1.2904 CS(=O)(=O)NCCSc1c[nH]nn1 62a_100000754112_100009819707 [0,1,0,0,0,1|2,0,0]=4 2577 B13R1.2904 CS(=O)(=O)NCCSc1c[nH]nn1 62a_100009819707_100000754112 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.2904 CS(=O)(=O)NCCSc1cscn1 62a_100000751502_100000754112 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.2904 CS(=O)(=O)NCCSc1cscn1 62a_100000754112_100000751502 [0,1,0,0,0,1|2,0,0]=4 2580 B13R1.2904 CS(=O)(=O)NCCSc1nc[nH]n1 62a_100000754112_100000761765 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.2904 CS(=O)(=O)NCCSc1nc[nH]n1 62a_100000761765_100000754112 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.2904 CS(=O)(=O)OCCSc1c[nH]cn1 62a_100000756875_200000036756 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.2904 CS(=O)(=O)OCCSc1c[nH]cn1 62a_200000036756_100000756875 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 1626a_100000701280_100015343762 [0,2,0,0,0,0|2,0,0]=4 2585 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 240690a_100000701280_100015343762 [0,2,0,0,0,0|2,0,0]=4 2586 B13R1.129 CC(=O)NCC(C)c1nc(cs1)C 527a_100000701280_100103153847 [0,2,0,0,0,0|2,0,0]=4 2587 B13R1.162 CCC(=O)NCC(O)c1ccco1 527a_100000738650_100000210414 [0,2,0,0,0,0|2,0,0]=4 2588 B13R1.162 CCC(=O)NCC(O)c1ccsc1 240690a_100000758718_100000210414 [0,2,0,0,0,0|2,0,0]=4 2589 B13R1.162 CCC(=O)NCC(O)c1ccsc1 527a_100000758718_100000210414 [0,2,0,0,0,0|2,0,0]=4 2590 B13R1.162 CCC(=O)NN=C(C)c1c[nH]cn1 4a_100000183195_100011246050 [0,2,0,0,0,0|1,0,1]=4 2591 B13R1.162 CNC(=O)NCC(O)c1ccco1 2708a_100102657272_100000738650 [0,2,0,0,0,0|2,0,0]=4 2592 B13R1.162 CNC(=O)NCC(O)c1ccco1 273464a_100102657272_100000738650 [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.162 CNC(=O)NCC(O)c1ccco1 512a_106832991638_100000738650 [0,2,0,0,0,0|2,0,0]=4 2594 B13R1.162 CNC(=O)NCC(O)c1ccsc1 2708a_100102657272_100000758718 [0,2,0,0,0,0|2,0,0]=4 2595 B13R1.162 CNC(=O)NCC(O)c1ccsc1 273464a_100102657272_100000758718 [0,2,0,0,0,0|2,0,0]=4 2596 B13R1.162 CNC(=O)NCC(O)c1ccsc1 512a_106832991638_100000758718 [0,2,0,0,0,0|2,0,0]=4 2597 B13R1.162 O=C(CO)NCC(O)c1ccco1 527a_100000738650_100000210174 [0,2,0,0,0,0|2,0,0]=4 2598 B13R1.162 O=C(CO)NCC(O)c1ccsc1 240690a_100000758718_100000210174 [0,2,0,0,0,0|2,0,0]=4 2599 B13R1.162 O=C(CO)NCC(O)c1ccsc1 527a_100000758718_100000210174 [0,2,0,0,0,0|2,0,0]=4 2600 B13R1.168 CC(=O)NNC(=O)c1nc[nH]c1C 22a_200000016105_100000070787 [0,2,0,0,0,0|1,0,1]=4 2601 B13R1.588 CC(=O)NNS(=O)(=O)c1c[nH]cn1 20a_100000189765_100000754927 [0,2,0,0,0,0|2,0,0]=4 2602 B13R1.60 CC(=O)NCCc1nc(no1)CF 270196a_200000032654_100000183196 [0,2,0,0,0,0|1,0,1]=4 2603 B13R1.60 CCc1csc(n1)CCNC(=O)C 11a_100011595559_100015343762 [0,2,0,0,0,0|2,0,0]=4 2604 B13R1.60 CCc1csc(n1)CCNC(=O)C 1626a_100011595559_100015343762 [0,2,0,0,0,0|2,0,0]=4 2605 B13R1.60 CCc1csc(n1)CCNC(=O)C 240690a_100011595559_100015343762 [0,2,0,0,0,0|2,0,0]=4 2606 B13R1.60 CCc1csc(n1)CCNC(=O)C 527a_100011595559_100103153847 [0,2,0,0,0,0|2,0,0]=4 2607 B13R1.60 CCc1nc(cs1)CCNC(=O)C 11a_100000749629_100015343762 [0,2,0,0,0,0|1,0,0]=3 2608 B13R1.60 CCc1nc(cs1)CCNC(=O)C 1626a_100000749629_100015343762 [0,2,0,0,0,0|1,0,0]=3 2609 B13R1.60 CCc1nc(cs1)CCNC(=O)C 240690a_100000749629_100015343762 [0,2,0,0,0,0|1,0,0]=3 2610 B13R1.60 CCc1nc(cs1)CCNC(=O)C 527a_100000749629_100103153847 [0,2,0,0,0,0|1,0,0]=3 2611 B13R1.60 CCc1nc(no1)CCNC(=O)C 11a_100000751922_100015343762 [0,2,0,0,0,0|2,0,0]=4 2612 B13R1.60 CCc1nc(no1)CCNC(=O)C 240690a_100000751922_100015343762 [0,2,0,0,0,0|2,0,0]=4 2613 B13R1.60 CCc1nc(no1)CCNC(=O)C 527a_100000751922_100103153847 [0,2,0,0,0,0|2,0,0]=4 2614 B13R1.60 CCc1noc(n1)CCNC(=O)C 270196a_200000212204_100000183196 [0,2,0,0,0,0|1,0,1]=4 2615 B13R1.60 CCn1cnc(c1)C=NNC(=O)C 4a_100000189765_100012662273 [0,2,0,0,0,0|1,0,1]=4 2616 B13R1.60 CCn1cnc(c1)CCNC(=O)C 11a_106641419909_100015343762 [0,2,0,0,0,0|0,0,0]=2 2617 B13R1.60 CCn1cnc(c1)CCNC(=O)C 240690a_106641419909_100015343762 [0,2,0,0,0,0|0,0,0]=2 2618 B13R1.60 CCn1cnc(c1)CCNC(=O)C 527a_106641419909_100103153847 [0,2,0,0,0,0|0,0,0]=2 2619 B13R1.60 CCn1cnc(c1)SCCC(=O)C 62a_100000053229_100010368372 [0,2,0,0,0,0|2,0,0]=4 2620 B13R1.60 CCn1cnc(c1)SCCC(=O)C 62a_100010368372_100000053229 [0,2,0,0,0,0|2,0,0]=4 2621 B13R1.60 CCn1cnc(c1)SCOC(=O)C 62a_100000076356_100010368372 [0,2,0,0,0,0|2,0,0]=4 2622 B13R1.60 CCn1cnc(c1)SCOC(=O)C 62a_100010368372_100000076356 [0,2,0,0,0,0|2,0,0]=4 2623 B13R1.127 Cc1nc(cs1)CCNS(=O)(=O)C 40a_102495365028_100000738038 [0,2,0,0,0,0|2,0,0]=4 2624 B13R1.127 Cn1cnc(c1)CCNS(=O)(=O)C 40a_106430523030_100000738038 [0,2,0,0,0,0|1,0,0]=3 2625 B13R1.127 Cn1cnc(n1)CCNS(=O)(=O)C 40a_100103148823_100000738038 [0,2,0,0,0,0|2,0,0]=4 2626 B13R1.717 C=CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100000185746 [0,2,0,0,0,0|0,0,1]=3 2627 B13R1.717 C=CC(=O)NCCc1cn(cn1)C 240690a_106430523030_200121576911 [0,2,0,0,0,0|0,0,1]=3 2628 B13R1.717 C=CC(=O)NCCc1csc(n1)C 1626a_102495365028_100000185746 [0,2,0,0,0,0|1,0,1]=4 2629 B13R1.717 C=CC(=O)NCCc1csc(n1)C 240690a_102495365028_200121576911 [0,2,0,0,0,0|1,0,1]=4 2630 B13R1.717 C=CC(=O)NCCc1ncn(n1)C 240690a_100103148823_200121576911 [0,2,0,0,0,0|1,0,1]=4 2631 B13R1.717 CCC(=O)COCc1cn(cn1)C 34a_100000725409_100000717665 [0,2,0,0,0,0|2,0,0]=4 2632 B13R1.717 CCC(=O)CSCc1cn(cn1)C 62a_100000717665_100000747405 [0,2,0,0,0,0|2,0,0]=4 2633 B13R1.717 CCC(=O)CSCc1cn(cn1)C 62a_100000747405_100000717665 [0,2,0,0,0,0|2,0,0]=4 2634 B13R1.717 CCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 2635 B13R1.717 CCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 2636 B13R1.717 CCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000210414 [0,2,0,0,0,0|2,0,0]=4 2637 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 11a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 2638 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 2639 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 2640 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 527a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 2641 B13R1.717 CCC(=O)NCCc1cn(cn1)C 11a_106430523030_100000210414 [0,2,0,0,0,0|0,0,0]=2 2642 B13R1.717 CCC(=O)NCCc1cn(cn1)C 1626a_106430523030_100000210414 [0,2,0,0,0,0|0,0,0]=2 2643 B13R1.717 CCC(=O)NCCc1cn(cn1)C 240690a_106430523030_100000210414 [0,2,0,0,0,0|0,0,0]=2 2644 B13R1.717 CCC(=O)NCCc1cn(cn1)C 527a_106430523030_100000210414 [0,2,0,0,0,0|0,0,0]=2 2645 B13R1.717 CCC(=O)NCCc1csc(n1)C 1626a_102495365028_100000210414 [0,2,0,0,0,0|1,0,0]=3 2646 B13R1.717 CCC(=O)NCCc1csc(n1)C 240690a_102495365028_100000210414 [0,2,0,0,0,0|1,0,0]=3 2647 B13R1.717 CCC(=O)NCCc1csc(n1)C 527a_102495365028_100000210414 [0,2,0,0,0,0|1,0,0]=3 2648 B13R1.717 CCC(=O)NCCc1nc(cs1)C 11a_100000736835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2649 B13R1.717 CCC(=O)NCCc1nc(cs1)C 1626a_100000736835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2650 B13R1.717 CCC(=O)NCCc1nc(cs1)C 240690a_100000736835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2651 B13R1.717 CCC(=O)NCCc1nc(cs1)C 527a_100000736835_100000210414 [0,2,0,0,0,0|2,0,0]=4 2652 B13R1.717 CCC(=O)NCCc1nc(no1)C 11a_100000747544_100000210414 [0,2,0,0,0,0|1,0,1]=4 2653 B13R1.717 CCC(=O)NCCc1nc(no1)C 240690a_100000747544_100000210414 [0,2,0,0,0,0|1,0,1]=4 2654 B13R1.717 CCC(=O)NCCc1nc(no1)C 527a_100000747544_100000210414 [0,2,0,0,0,0|1,0,1]=4 2655 B13R1.717 CCC(=O)NCCc1ncn(n1)C 11a_100103148823_100000210414 [0,2,0,0,0,0|1,0,0]=3 2656 B13R1.717 CCC(=O)NCCc1ncn(n1)C 240690a_100103148823_100000210414 [0,2,0,0,0,0|1,0,0]=3 2657 B13R1.717 CCC(=O)NCCc1ncn(n1)C 527a_100103148823_100000210414 [0,2,0,0,0,0|1,0,0]=3 2658 B13R1.717 CCC(=O)NCCn1cc(cn1)Br 11a_100000730845_100000210414 [0,2,0,0,0,0|2,0,0]=4 2659 B13R1.717 CCC(=O)NCCn1cc(cn1)Br 240690a_100000730845_100000210414 [0,2,0,0,0,0|2,0,0]=4 2660 B13R1.717 CCC(=O)NCCn1cc(cn1)Br 527a_100000730845_100000210414 [0,2,0,0,0,0|2,0,0]=4 2661 B13R1.717 CCC(=O)NCCn1cc(cn1)Cl 11a_200000238484_100000210414 [0,2,0,0,0,0|2,0,0]=4 2662 B13R1.717 CCC(=O)NCCn1cc(cn1)Cl 1626a_200000238484_100000210414 [0,2,0,0,0,0|2,0,0]=4 2663 B13R1.717 CCC(=O)NCCn1cc(cn1)Cl 240690a_200000238484_100000210414 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.717 CCC(=O)NCCn1cc(cn1)Cl 527a_200000238484_100000210414 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.717 CCC(=O)NCCn1cc(cn1)I 11a_100000721286_100000210414 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.717 CCC(=O)NCCn1cc(cn1)I 1626a_100000721286_100000210414 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.717 CCC(=O)NCCn1cc(cn1)I 240690a_100000721286_100000210414 [0,2,0,0,0,0|2,0,0]=4 2668 B13R1.717 CCC(=O)NCCn1cc(cn1)I 527a_100000721286_100000210414 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.717 CCC(=O)NN=Cc1c[nH]c(n1)C 4a_100000183195_100011219055 [0,2,0,0,0,0|1,0,1]=4 2670 B13R1.717 CCC(=O)NN=Cc1cn(cn1)C 4a_100000183195_100000684808 [0,2,0,0,0,0|1,0,1]=4 2671 B13R1.717 CNC(=O)CCSc1c[nH]c(n1)C 62a_100000737683_100009814057 [0,2,0,0,0,0|2,0,0]=4 2672 B13R1.717 CNC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000737683 [0,2,0,0,0,0|2,0,0]=4 2673 B13R1.717 CNC(=O)CCSc1cn(cn1)C 62a_100000040308_100000737683 [0,2,0,0,0,0|2,0,0]=4 2674 B13R1.717 CNC(=O)CCSc1cn(cn1)C 62a_100000737683_100000040308 [0,2,0,0,0,0|2,0,0]=4 2675 B13R1.717 CNC(=O)CNCc1c[nH]c(n1)C 207a_100000693194_100011219055 [0,2,0,0,0,0|2,0,0]=4 2676 B13R1.717 CNC(=O)CNCc1cn(cn1)C 207a_100000693194_100000684808 [0,2,0,0,0,0|2,0,0]=4 2677 B13R1.717 CNC(=O)CNCc1cn(cn1)C 2230a_100000693194_100000717665 [0,2,0,0,0,0|2,0,0]=4 2678 B13R1.717 CNC(=O)CNCc1cn(cn1)C 270004a_100000693194_100000684808 [0,2,0,0,0,0|2,0,0]=4 2679 B13R1.717 CNC(=O)COCc1cn(cn1)C 34a_100000710007_100000183359 [0,2,0,0,0,0|2,0,0]=4 2680 B13R1.717 CNC(=O)COCc1cn(cn1)C 34a_100000750040_100000717665 [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.717 CNC(=O)CSCc1cn(cn1)C 62a_100000183359_100000717665 [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.717 CNC(=O)CSCc1cn(cn1)C 62a_100000717665_100000183359 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100000739271_106832991635 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100102657272_100000739271 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_100000739271_100102657272 [0,2,0,0,0,0|2,0,0]=4 2686 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_106832991638_100000739271 [0,2,0,0,0,0|2,0,0]=4 2687 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 2708a_100000217605_106832991635 [0,2,0,0,0,0|2,0,0]=4 2688 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 2708a_100102657272_100000217605 [0,2,0,0,0,0|2,0,0]=4 2689 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 273464a_100000217605_100102657272 [0,2,0,0,0,0|2,0,0]=4 2690 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 273464a_100102657272_100000217605 [0,2,0,0,0,0|2,0,0]=4 2691 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 512a_100000217605_100102657272 [0,2,0,0,0,0|2,0,0]=4 2692 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 512a_106832991638_100000217605 [0,2,0,0,0,0|2,0,0]=4 2693 B13R1.717 CNC(=O)NCCc1cn(cn1)C 2708a_100102657272_106430523030 [0,2,0,0,0,0|0,0,0]=2 2694 B13R1.717 CNC(=O)NCCc1cn(cn1)C 2708a_106430523030_106832991635 [0,2,0,0,0,0|0,0,0]=2 2695 B13R1.717 CNC(=O)NCCc1cn(cn1)C 273464a_100102657272_106430523030 [0,2,0,0,0,0|0,0,0]=2 2696 B13R1.717 CNC(=O)NCCc1cn(cn1)C 273464a_106430523030_100102657272 [0,2,0,0,0,0|0,0,0]=2 2697 B13R1.717 CNC(=O)NCCc1cn(cn1)C 512a_106430523030_100102657272 [0,2,0,0,0,0|0,0,0]=2 2698 B13R1.717 CNC(=O)NCCc1cn(cn1)C 512a_106832991638_106430523030 [0,2,0,0,0,0|0,0,0]=2 2699 B13R1.717 CNC(=O)NCCc1csc(n1)C 2708a_100102657272_102495365028 [0,2,0,0,0,0|1,0,0]=3 2700 B13R1.717 CNC(=O)NCCc1csc(n1)C 2708a_102495365028_106832991635 [0,2,0,0,0,0|1,0,0]=3 2701 B13R1.717 CNC(=O)NCCc1csc(n1)C 273464a_100102657272_102495365028 [0,2,0,0,0,0|1,0,0]=3 2702 B13R1.717 CNC(=O)NCCc1csc(n1)C 273464a_102495365028_100102657272 [0,2,0,0,0,0|1,0,0]=3 2703 B13R1.717 CNC(=O)NCCc1csc(n1)C 512a_102495365028_100102657272 [0,2,0,0,0,0|1,0,0]=3 2704 B13R1.717 CNC(=O)NCCc1csc(n1)C 512a_106832991638_102495365028 [0,2,0,0,0,0|1,0,0]=3 2705 B13R1.717 CNC(=O)NCCc1nc(cs1)C 2708a_100000736835_106832991635 [0,2,0,0,0,0|2,0,0]=4 2706 B13R1.717 CNC(=O)NCCc1nc(cs1)C 2708a_100102657272_100000736835 [0,2,0,0,0,0|2,0,0]=4 2707 B13R1.717 CNC(=O)NCCc1nc(cs1)C 273464a_100000736835_100102657272 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.717 CNC(=O)NCCc1nc(cs1)C 273464a_100102657272_100000736835 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.717 CNC(=O)NCCc1nc(cs1)C 512a_100000736835_100102657272 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.717 CNC(=O)NCCc1nc(cs1)C 512a_106832991638_100000736835 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.717 CNC(=O)NCCc1nc(no1)C 2708a_100000747544_106832991635 [0,2,0,0,0,0|1,0,1]=4 2712 B13R1.717 CNC(=O)NCCc1nc(no1)C 2708a_100102657272_100000747544 [0,2,0,0,0,0|1,0,1]=4 2713 B13R1.717 CNC(=O)NCCc1nc(no1)C 273464a_100000747544_100102657272 [0,2,0,0,0,0|1,0,1]=4 2714 B13R1.717 CNC(=O)NCCc1nc(no1)C 273464a_100102657272_100000747544 [0,2,0,0,0,0|1,0,1]=4 2715 B13R1.717 CNC(=O)NCCc1nc(no1)C 512a_100000747544_100102657272 [0,2,0,0,0,0|1,0,1]=4 2716 B13R1.717 CNC(=O)NCCc1nc(no1)C 512a_106832991638_100000747544 [0,2,0,0,0,0|1,0,1]=4 2717 B13R1.717 CNC(=O)NCCc1ncn(n1)C 2708a_100102657272_100103148823 [0,2,0,0,0,0|1,0,0]=3 2718 B13R1.717 CNC(=O)NCCc1ncn(n1)C 2708a_100103148823_106832991635 [0,2,0,0,0,0|1,0,0]=3 2719 B13R1.717 CNC(=O)NCCc1ncn(n1)C 273464a_100102657272_100103148823 [0,2,0,0,0,0|1,0,0]=3 2720 B13R1.717 CNC(=O)NCCc1ncn(n1)C 273464a_100103148823_100102657272 [0,2,0,0,0,0|1,0,0]=3 2721 B13R1.717 CNC(=O)NCCc1ncn(n1)C 512a_100103148823_100102657272 [0,2,0,0,0,0|1,0,0]=3 2722 B13R1.717 CNC(=O)NCCc1ncn(n1)C 512a_106832991638_100103148823 [0,2,0,0,0,0|1,0,0]=3 2723 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 2708a_100000730845_106832991635 [0,2,0,0,0,0|2,0,0]=4 2724 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 2708a_100102657272_100000730845 [0,2,0,0,0,0|2,0,0]=4 2725 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 273464a_100000730845_100102657272 [0,2,0,0,0,0|2,0,0]=4 2726 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 273464a_100102657272_100000730845 [0,2,0,0,0,0|2,0,0]=4 2727 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 512a_100000730845_100102657272 [0,2,0,0,0,0|2,0,0]=4 2728 B13R1.717 CNC(=O)NCCn1cc(cn1)Br 512a_106832991638_100000730845 [0,2,0,0,0,0|2,0,0]=4 2729 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 2708a_100102657272_200000238484 [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 2708a_200000238484_106832991635 [0,2,0,0,0,0|2,0,0]=4 2731 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 273464a_100102657272_200000238484 [0,2,0,0,0,0|2,0,0]=4 2732 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 273464a_200000238484_100102657272 [0,2,0,0,0,0|2,0,0]=4 2733 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 512a_106832991638_200000238484 [0,2,0,0,0,0|2,0,0]=4 2734 B13R1.717 CNC(=O)NCCn1cc(cn1)Cl 512a_200000238484_100102657272 [0,2,0,0,0,0|2,0,0]=4 2735 B13R1.717 CNC(=O)NCCn1cc(cn1)I 2708a_100000721286_106832991635 [0,2,0,0,0,0|2,0,0]=4 2736 B13R1.717 CNC(=O)NCCn1cc(cn1)I 2708a_100102657272_100000721286 [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.717 CNC(=O)NCCn1cc(cn1)I 273464a_100000721286_100102657272 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.717 CNC(=O)NCCn1cc(cn1)I 273464a_100102657272_100000721286 [0,2,0,0,0,0|2,0,0]=4 2739 B13R1.717 CNC(=O)NCCn1cc(cn1)I 512a_100000721286_100102657272 [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.717 CNC(=O)NCCn1cc(cn1)I 512a_106832991638_100000721286 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.717 COC(=O)CCCc1cn(nn1)C 274090a_200000210301_100011934092 [0,2,0,0,0,0|2,0,0]=4 2742 B13R1.717 COC(=O)CCCc1cn(nn1)[13CH3] 274090a_200025704644_100011934092 [0,2,0,0,0,0|2,0,0]=4 2743 B13R1.717 COC(=O)CCSc1c[nH]c(n1)C 62a_100000204255_100009814057 [0,2,0,0,0,0|2,0,0]=4 2744 B13R1.717 COC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000204255 [0,2,0,0,0,0|2,0,0]=4 2745 B13R1.717 COC(=O)CCSc1cn(cn1)C 62a_100000040308_100000204255 [0,2,0,0,0,0|2,0,0]=4 2746 B13R1.717 COC(=O)CCSc1cn(cn1)C 62a_100000204255_100000040308 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.717 COC(=O)COCc1cn(cn1)C 34a_100000710007_100000747449 [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000717665_100000747449 [0,2,0,0,0,0|2,0,0]=4 2749 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000747449_100000717665 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.717 COC(=O)OCSc1c[nH]c(n1)C 62a_100009814057_100000139417 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.717 COC(=O)OCSc1cn(cn1)C 62a_100000040308_100000139417 [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.717 Cc1ccc(o1)CCNC(=O)CO 527a_100000739271_100000210174 [0,2,0,0,0,0|2,0,0]=4 2753 B13R1.717 Cc1csc(n1)CCNC(=O)CO 240690a_100000736835_100000210174 [0,2,0,0,0,0|2,0,0]=4 2754 B13R1.717 Cc1csc(n1)CCNC(=O)CO 527a_100000736835_100000210174 [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.717 Cc1nc(cs1)CCNC(=O)CO 240690a_102495365028_100000210174 [0,2,0,0,0,0|1,0,0]=3 2756 B13R1.717 Cc1nc(cs1)CCNC(=O)CO 527a_102495365028_100000210174 [0,2,0,0,0,0|1,0,0]=3 2757 B13R1.717 Cc1noc(n1)CCNC(=O)CO 240690a_100000747544_100000210174 [0,2,0,0,0,0|1,0,1]=4 2758 B13R1.717 Cc1noc(n1)CCNC(=O)CO 527a_100000747544_100000210174 [0,2,0,0,0,0|1,0,1]=4 2759 B13R1.717 Cn1cnc(c1)CCNC(=O)CO 240690a_106430523030_100000210174 [0,2,0,0,0,0|0,0,0]=2 2760 B13R1.717 Cn1cnc(c1)CCNC(=O)CO 527a_106430523030_100000210174 [0,2,0,0,0,0|0,0,0]=2 2761 B13R1.717 Cn1cnc(n1)CCNC(=O)CO 240690a_100103148823_100000210174 [0,2,0,0,0,0|1,0,0]=3 2762 B13R1.717 Cn1cnc(n1)CCNC(=O)CO 527a_100103148823_100000210174 [0,2,0,0,0,0|1,0,0]=3 2763 B13R1.717 O=C(CO)NCCc1ccc(s1)Br 240690a_100000217605_100000210174 [0,2,0,0,0,0|2,0,0]=4 2764 B13R1.717 O=C(CO)NCCc1ccc(s1)Br 527a_100000217605_100000210174 [0,2,0,0,0,0|2,0,0]=4 2765 B13R1.717 O=C(CO)NCCn1cc(cn1)Br 240690a_100000730845_100000210174 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.717 O=C(CO)NCCn1cc(cn1)Br 527a_100000730845_100000210174 [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.717 O=C(CO)NCCn1cc(cn1)Cl 240690a_200000238484_100000210174 [0,2,0,0,0,0|2,0,0]=4 2768 B13R1.717 O=C(CO)NCCn1cc(cn1)Cl 527a_200000238484_100000210174 [0,2,0,0,0,0|2,0,0]=4 2769 B13R1.717 O=C(CO)NCCn1cc(cn1)I 240690a_100000721286_100000210174 [0,2,0,0,0,0|2,0,0]=4 2770 B13R1.717 O=C(CO)NCCn1cc(cn1)I 527a_100000721286_100000210174 [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.3424 CC(=O)OC(C)Sc1c[nH]c(n1)C 62a_100009814057_100009818208 [0,2,0,0,0,0|2,0,0]=4 2772 B13R1.3424 CC(=O)OC(C)Sc1c[nH]c(n1)C 62a_100009818208_100009814057 [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.3424 CC(=O)OC(C)Sc1cn(cn1)C 62a_100000040308_100009818208 [0,2,0,0,0,0|2,0,0]=4 2774 B13R1.3424 CC(=O)OC(C)Sc1cn(cn1)C 62a_100009818208_100000040308 [0,2,0,0,0,0|2,0,0]=4 2775 B13R1.3425 CC(=O)C(=O)CSc1c[nH]c(n1)C 62a_100009814057_100011261029 [0,2,0,0,0,0|2,0,0]=4 2776 B13R1.3425 CC(=O)C(=O)CSc1c[nH]c(n1)C 62a_100011261029_100009814057 [0,2,0,0,0,0|2,0,0]=4 2777 B13R1.3425 CC(=O)C(=O)CSc1cn(cn1)C 62a_100000040308_100011261029 [0,2,0,0,0,0|2,0,0]=4 2778 B13R1.3425 CC(=O)C(=O)CSc1cn(cn1)C 62a_100011261029_100000040308 [0,2,0,0,0,0|2,0,0]=4 2779 B13R1.3425 CC(=O)C(C)OCc1cn(cn1)C 34a_100000212229_100000717665 [0,2,0,0,0,0|2,0,0]=4 2780 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100000717665_100009814033 [0,2,0,0,0,0|2,0,0]=4 2781 B13R1.3425 CC(=O)C(C)SCc1cn(cn1)C 62a_100009814033_100000717665 [0,2,0,0,0,0|2,0,0]=4 2782 B13R1.3425 CC(=O)N(C)CCc1nc(no1)C 270196a_100000212224_100011216537 [0,2,0,0,0,0|1,0,1]=4 2783 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 11a_100000730564_100015343762 [0,2,0,0,0,0|2,0,0]=4 2784 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 240690a_100000730564_100015343762 [0,2,0,0,0,0|2,0,0]=4 2785 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 527a_100000730564_100103153847 [0,2,0,0,0,0|2,0,0]=4 2786 B13R1.3443 CC(=O)CCSc1cn(c(n1)C)C 62a_100000053229_100000684932 [0,2,0,0,0,0|2,0,0]=4 2787 B13R1.3443 CC(=O)CCSc1cn(c(n1)C)C 62a_100000684932_100000053229 [0,2,0,0,0,0|2,0,0]=4 2788 B13R1.3443 CC(=O)CCSc1cn(c(n1)N)C 62a_100000053229_100025756272 [0,2,0,0,0,0|2,0,0]=4 2789 B13R1.3443 CC(=O)CCSc1cn(c(n1)N)C 62a_100025756272_100000053229 [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.3443 CC(=O)NCCc1nc(c(s1)C)C 1626a_100000759773_100015343762 [0,2,0,0,0,0|2,0,0]=4 2791 B13R1.3443 CC(=O)NCCc1nc(c(s1)C)C 240690a_100000759773_100015343762 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.3443 CC(=O)NCCc1nc(c(s1)C)C 527a_100000759773_100103153847 [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.3443 CC(=O)OCSc1cn(c(n1)C)C 62a_100000076356_100000684932 [0,2,0,0,0,0|2,0,0]=4 2794 B13R1.3443 CC(=O)OCSc1cn(c(n1)C)C 62a_100000684932_100000076356 [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.3443 CC(=O)OCSc1cn(c(n1)N)C 62a_100000076356_100025756272 [0,2,0,0,0,0|2,0,0]=4 2796 B13R1.3443 CC(=O)OCSc1cn(c(n1)N)C 62a_100025756272_100000076356 [0,2,0,0,0,0|2,0,0]=4 2797 B13R1.3485 CC(=O)CCSc1nc([nH]c1C)C 62a_100000053229_200009820778 [0,2,0,0,0,0|2,0,0]=4 2798 B13R1.3485 CC(=O)CCSc1nc([nH]c1C)C 62a_200009820778_100000053229 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.3485 CC(=O)NCCn1nc(cc1C)C 240690a_100011200923_100015343762 [0,2,0,0,0,0|2,0,0]=4 2800 B13R1.3485 CC(=O)NCCn1nc(cc1C)C 527a_100011200923_100103153847 [0,2,0,0,0,0|2,0,0]=4 2801 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 11a_100132313891_100015343762 [0,2,0,0,0,0|1,0,1]=4 2802 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 1626a_100132313891_100015343762 [0,2,0,0,0,0|1,0,1]=4 2803 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 240690a_100132313891_100015343762 [0,2,0,0,0,0|1,0,1]=4 2804 B13R1.3485 CC(=O)NCCn1nc(nc1C)C 527a_100132313891_100103153847 [0,2,0,0,0,0|1,0,1]=4 2805 B13R1.3485 CC(=O)OCSc1nc([nH]c1C)C 62a_100000076356_200009820778 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.3485 CC(=O)OCSc1nc([nH]c1C)C 62a_200009820778_100000076356 [0,2,0,0,0,0|2,0,0]=4 2807 B13R1.169 CC(=O)C(=O)CSc1nc[nH]c1C 62a_100010186451_100011261029 [0,2,0,0,0,0|2,0,0]=4 2808 B13R1.169 CC(=O)C(=O)CSc1nc[nH]c1C 62a_100011261029_100010186451 [0,2,0,0,0,0|2,0,0]=4 2809 B13R1.169 CC(=O)C(C)SCc1nc[nH]c1C 62a_100000751220_100009814033 [0,2,0,0,0,0|2,0,0]=4 2810 B13R1.169 CC(=O)C(C)SCc1nc[nH]c1C 62a_100009814033_100000751220 [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.169 CC(=O)N(C)CCc1scnc1C 11a_100025748334_100015343762 [0,2,0,0,0,0|1,0,1]=4 2812 B13R1.169 CC(=O)N(C)CCc1scnc1C 1626a_100025748334_100015343762 [0,2,0,0,0,0|1,0,1]=4 2813 B13R1.169 CC(=O)N(C)CCc1scnc1C 240690a_100025748334_100015343762 [0,2,0,0,0,0|1,0,1]=4 2814 B13R1.169 CC(=O)N(C)CCc1scnc1C 527a_100025748334_100103153847 [0,2,0,0,0,0|1,0,1]=4 2815 B13R1.282 CC(=O)OC(C)Sc1nc[nH]c1C 62a_100009818208_100010186451 [0,2,0,0,0,0|2,0,0]=4 2816 B13R1.282 CC(=O)OC(C)Sc1nc[nH]c1C 62a_100010186451_100009818208 [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000747405_100000751220 [0,2,0,0,0,0|2,0,0]=4 2818 B13R1.599 CCC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747405 [0,2,0,0,0,0|2,0,0]=4 2819 B13R1.599 CCC(=O)NCCc1cccn1C 11a_100011251756_100000210414 [0,2,0,0,0,0|1,0,1]=4 2820 B13R1.599 CCC(=O)NCCc1cccn1C 1626a_100011251756_100000210414 [0,2,0,0,0,0|1,0,1]=4 2821 B13R1.599 CCC(=O)NCCc1cccn1C 240690a_100011251756_100000210414 [0,2,0,0,0,0|1,0,1]=4 2822 B13R1.599 CCC(=O)NCCc1cccn1C 527a_100011251756_100000210414 [0,2,0,0,0,0|1,0,1]=4 2823 B13R1.599 CCC(=O)NCCc1nccn1C 11a_100015187083_100000210414 [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.599 CCC(=O)NCCc1nccn1C 240690a_100015187083_100000210414 [0,2,0,0,0,0|2,0,0]=4 2825 B13R1.599 CCC(=O)NCCc1nccn1C 527a_100015187083_100000210414 [0,2,0,0,0,0|2,0,0]=4 2826 B13R1.599 CCC(=O)NCCc1ncnn1C 11a_100000686402_100000210414 [0,2,0,0,0,0|1,0,1]=4 2827 B13R1.599 CCC(=O)NCCc1ncnn1C 240690a_100000686402_100000210414 [0,2,0,0,0,0|1,0,1]=4 2828 B13R1.599 CCC(=O)NCCc1ncnn1C 527a_100000686402_100000210414 [0,2,0,0,0,0|1,0,1]=4 2829 B13R1.599 CCC(=O)NCCc1scnc1C 11a_100000238517_100000210414 [0,2,0,0,0,0|1,0,1]=4 2830 B13R1.599 CCC(=O)NCCc1scnc1C 1626a_100000238517_100000210414 [0,2,0,0,0,0|1,0,1]=4 2831 B13R1.599 CCC(=O)NCCc1scnc1C 240690a_100000238517_100000210414 [0,2,0,0,0,0|1,0,1]=4 2832 B13R1.599 CCC(=O)NCCc1scnc1C 527a_100000238517_100000210414 [0,2,0,0,0,0|1,0,1]=4 2833 B13R1.599 CCC(=O)NN=Cc1nc[nH]c1Br 4a_100000183195_100015192532 [0,2,0,0,0,0|1,0,1]=4 2834 B13R1.599 CCC(=O)NN=Cc1nc[nH]c1C 4a_100000183195_100000032982 [0,2,0,0,0,0|1,0,1]=4 2835 B13R1.599 CNC(=O)CCSc1nc[nH]c1C 62a_100000737683_100010186451 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.599 CNC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000737683 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.599 CNC(=O)CNCc1nc[nH]c1C 207a_100000693194_100000032982 [0,2,0,0,0,0|2,0,0]=4 2838 B13R1.599 CNC(=O)CNCc1nc[nH]c1C 2230a_100000693194_100000751220 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.599 CNC(=O)CSCc1nc[nH]c1C 62a_100000183359_100000751220 [0,2,0,0,0,0|2,0,0]=4 2840 B13R1.599 CNC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000183359 [0,2,0,0,0,0|2,0,0]=4 2841 B13R1.599 CNC(=O)NCCc1cccn1C 2708a_100011251756_106832991635 [0,2,0,0,0,0|1,0,1]=4 2842 B13R1.599 CNC(=O)NCCc1cccn1C 2708a_100102657272_100011251756 [0,2,0,0,0,0|1,0,1]=4 2843 B13R1.599 CNC(=O)NCCc1cccn1C 273464a_100011251756_100102657272 [0,2,0,0,0,0|1,0,1]=4 2844 B13R1.599 CNC(=O)NCCc1cccn1C 273464a_100102657272_100011251756 [0,2,0,0,0,0|1,0,1]=4 2845 B13R1.599 CNC(=O)NCCc1cccn1C 512a_100011251756_100102657272 [0,2,0,0,0,0|1,0,1]=4 2846 B13R1.599 CNC(=O)NCCc1cccn1C 512a_106832991638_100011251756 [0,2,0,0,0,0|1,0,1]=4 2847 B13R1.599 CNC(=O)NCCc1nccn1C 2708a_100015187083_106832991635 [0,2,0,0,0,0|2,0,0]=4 2848 B13R1.599 CNC(=O)NCCc1nccn1C 2708a_100102657272_100015187083 [0,2,0,0,0,0|2,0,0]=4 2849 B13R1.599 CNC(=O)NCCc1nccn1C 273464a_100015187083_100102657272 [0,2,0,0,0,0|2,0,0]=4 2850 B13R1.599 CNC(=O)NCCc1nccn1C 273464a_100102657272_100015187083 [0,2,0,0,0,0|2,0,0]=4 2851 B13R1.599 CNC(=O)NCCc1nccn1C 512a_100015187083_100102657272 [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.599 CNC(=O)NCCc1nccn1C 512a_106832991638_100015187083 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100000686402_106832991635 [0,2,0,0,0,0|1,0,1]=4 2854 B13R1.599 CNC(=O)NCCc1ncnn1C 2708a_100102657272_100000686402 [0,2,0,0,0,0|1,0,1]=4 2855 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100000686402_100102657272 [0,2,0,0,0,0|1,0,1]=4 2856 B13R1.599 CNC(=O)NCCc1ncnn1C 273464a_100102657272_100000686402 [0,2,0,0,0,0|1,0,1]=4 2857 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_100000686402_100102657272 [0,2,0,0,0,0|1,0,1]=4 2858 B13R1.599 CNC(=O)NCCc1ncnn1C 512a_106832991638_100000686402 [0,2,0,0,0,0|1,0,1]=4 2859 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100000238517_106832991635 [0,2,0,0,0,0|1,0,1]=4 2860 B13R1.599 CNC(=O)NCCc1scnc1C 2708a_100102657272_100000238517 [0,2,0,0,0,0|1,0,1]=4 2861 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100000238517_100102657272 [0,2,0,0,0,0|1,0,1]=4 2862 B13R1.599 CNC(=O)NCCc1scnc1C 273464a_100102657272_100000238517 [0,2,0,0,0,0|1,0,1]=4 2863 B13R1.599 CNC(=O)NCCc1scnc1C 512a_100000238517_100102657272 [0,2,0,0,0,0|1,0,1]=4 2864 B13R1.599 CNC(=O)NCCc1scnc1C 512a_106832991638_100000238517 [0,2,0,0,0,0|1,0,1]=4 2865 B13R1.599 COC(=O)CCSc1nc[nH]c1C 62a_100000204255_100010186451 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.599 COC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000204255 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000747449_100000751220 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747449 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.599 COC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000139417 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.599 Cc1ncsc1CCNC(=O)CO 240690a_100000238517_100000210174 [0,2,0,0,0,0|1,0,1]=4 2871 B13R1.599 Cc1ncsc1CCNC(=O)CO 527a_100000238517_100000210174 [0,2,0,0,0,0|1,0,1]=4 2872 B13R1.599 Cn1cccc1CCNC(=O)CO 240690a_100011251756_100000210174 [0,2,0,0,0,0|1,0,1]=4 2873 B13R1.599 Cn1cccc1CCNC(=O)CO 527a_100011251756_100000210174 [0,2,0,0,0,0|1,0,1]=4 2874 B13R1.599 Cn1ccnc1CCNC(=O)CO 240690a_100015187083_100000210174 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.599 Cn1ccnc1CCNC(=O)CO 527a_100015187083_100000210174 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.599 Cn1ncnc1CCNC(=O)CO 240690a_100000686402_100000210174 [0,2,0,0,0,0|1,0,1]=4 2877 B13R1.599 Cn1ncnc1CCNC(=O)CO 527a_100000686402_100000210174 [0,2,0,0,0,0|1,0,1]=4 2878 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 11a_100015186435_100015343762 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 240690a_100015186435_100015343762 [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.3529 CC(=O)NCCc1c(n[nH]c1C)C 527a_100015186435_100103153847 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.346 CC(=O)C(C)C(=O)Cc1c[nH]cn1 1458a_100015291406_100000179758 [0,2,0,0,0,0|1,0,1]=4 2882 B13R1.420 CC(=O)N[C@H](CO)Cc1c[nH]cn1 240690a_100016995062_100015343762 [0,2,0,0,0,0|0,0,0]=2 2883 B13R1.420 CC(C)N[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_100000210206 [0,2,0,0,0,0|1,0,1]=4 2884 B13R1.545 CC(Cc1cccs1)NC(=O)CO 240690a_100000751415_100000210174 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.545 CC(Cc1cccs1)NC(=O)CO 527a_100000751415_100000210174 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.545 CC(Cc1ccsc1)NC(=O)CO 240690a_100000743546_100000210174 [0,2,0,0,0,0|2,0,0]=4 2887 B13R1.545 CC(Cc1ccsc1)NC(=O)CO 527a_100000743546_100000210174 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.545 CC(Cn1cccn1)NC(=O)CO 240690a_100000738251_100000210174 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.545 CC(Cn1cccn1)NC(=O)CO 527a_100000738251_100000210174 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.545 CC(Cn1cncn1)NC(=O)CO 240690a_100011201177_100000210174 [0,2,0,0,0,0|1,0,1]=4 2891 B13R1.545 CC(Cn1cncn1)NC(=O)CO 527a_100011201177_100000210174 [0,2,0,0,0,0|1,0,1]=4 2892 B13R1.545 CCC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000747405 [0,2,0,0,0,0|1,0,1]=4 2893 B13R1.545 CCC(=O)NC(C)Cc1cccs1 11a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 2894 B13R1.545 CCC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.545 CCC(=O)NC(C)Cc1cccs1 240690a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 2896 B13R1.545 CCC(=O)NC(C)Cc1cccs1 527a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.545 CCC(=O)NC(C)Cc1ccsc1 11a_100000743546_100000210414 [0,2,0,0,0,0|2,0,0]=4 2898 B13R1.545 CCC(=O)NC(C)Cc1ccsc1 1626a_100000743546_100000210414 [0,2,0,0,0,0|2,0,0]=4 2899 B13R1.545 CCC(=O)NC(C)Cc1ccsc1 240690a_100000743546_100000210414 [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.545 CCC(=O)NC(C)Cc1ccsc1 527a_100000743546_100000210414 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.545 CCC(=O)NC(C)Cn1cccn1 11a_100000738251_100000210414 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.545 CCC(=O)NC(C)Cn1cccn1 1626a_100000738251_100000210414 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.545 CCC(=O)NC(C)Cn1cccn1 240690a_100000738251_100000210414 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.545 CCC(=O)NC(C)Cn1cccn1 527a_100000738251_100000210414 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.545 CCC(=O)NC(C)Cn1cncn1 11a_100011201177_100000210414 [0,2,0,0,0,0|1,0,1]=4 2906 B13R1.545 CCC(=O)NC(C)Cn1cncn1 1626a_100011201177_100000210414 [0,2,0,0,0,0|1,0,1]=4 2907 B13R1.545 CCC(=O)NC(C)Cn1cncn1 240690a_100011201177_100000210414 [0,2,0,0,0,0|1,0,1]=4 2908 B13R1.545 CCC(=O)NC(C)Cn1cncn1 527a_100011201177_100000210414 [0,2,0,0,0,0|1,0,1]=4 2909 B13R1.545 CNC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000183359 [0,2,0,0,0,0|1,0,1]=4 2910 B13R1.545 CNC(=O)CN(C)Cc1c[nH]cn1 2230a_100000189611_100000707719 [0,2,0,0,0,0|2,0,0]=4 2911 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100000751415_106832991635 [0,2,0,0,0,0|2,0,0]=4 2912 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100102657272_100000751415 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.545 CNC(=O)NC(C)Cc1cccs1 273464a_100000751415_100102657272 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_100000751415_100102657272 [0,2,0,0,0,0|2,0,0]=4 2915 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_106832991638_100000751415 [0,2,0,0,0,0|2,0,0]=4 2916 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 2708a_100000743546_106832991635 [0,2,0,0,0,0|2,0,0]=4 2917 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 2708a_100102657272_100000743546 [0,2,0,0,0,0|2,0,0]=4 2918 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 273464a_100000743546_100102657272 [0,2,0,0,0,0|2,0,0]=4 2919 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 273464a_100102657272_100000743546 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 512a_100000743546_100102657272 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.545 CNC(=O)NC(C)Cc1ccsc1 512a_106832991638_100000743546 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.545 CNC(=O)NC(C)Cn1cccn1 2708a_100000738251_106832991635 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.545 CNC(=O)NC(C)Cn1cccn1 2708a_100102657272_100000738251 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.545 CNC(=O)NC(C)Cn1cccn1 273464a_100000738251_100102657272 [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.545 CNC(=O)NC(C)Cn1cccn1 512a_100000738251_100102657272 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.545 CNC(=O)NC(C)Cn1cccn1 512a_106832991638_100000738251 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.545 CNC(=O)NC(C)Cn1cncn1 2708a_100011201177_106832991635 [0,2,0,0,0,0|1,0,1]=4 2928 B13R1.545 CNC(=O)NC(C)Cn1cncn1 2708a_100102657272_100011201177 [0,2,0,0,0,0|1,0,1]=4 2929 B13R1.545 CNC(=O)NC(C)Cn1cncn1 273464a_100011201177_100102657272 [0,2,0,0,0,0|1,0,1]=4 2930 B13R1.545 CNC(=O)NC(C)Cn1cncn1 273464a_100102657272_100011201177 [0,2,0,0,0,0|1,0,1]=4 2931 B13R1.545 CNC(=O)NC(C)Cn1cncn1 512a_100011201177_100102657272 [0,2,0,0,0,0|1,0,1]=4 2932 B13R1.545 CNC(=O)NC(C)Cn1cncn1 512a_106832991638_100011201177 [0,2,0,0,0,0|1,0,1]=4 2933 B13R1.545 COC(=O)CC(=O)Cc1c[nH]cn1 1458a_100000211351_100000707719 [0,2,0,0,0,0|1,0,1]=4 2934 B13R1.545 COC(=O)CC(=O)Cc1c[nH]cn1 1458a_100015291406_100000747449 [0,2,0,0,0,0|1,0,1]=4 2935 B13R1.545 COC(=O)CC(C)Sc1c[nH]cn1 62a_100000756875_100009817358 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.545 COC(=O)CC(C)Sc1c[nH]cn1 62a_100009817358_100000756875 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.545 COC(=O)CN(C)Cc1c[nH]cn1 2230a_100000198492_100000707719 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.554 C/C=C(\C)/C(=O)CCc1c[nH]cn1 1458a_100020587367_100020628418 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.554 C=C(CSc1c[nH]cn1)C(=O)OC 62a_100000756875_100009813391 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.554 C=C(CSc1c[nH]cn1)C(=O)OC 62a_100009813391_100000756875 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.554 CC(CO)N(C)CCc1c[nH]cn1 2230a_100000693034_100020628418 [0,2,0,0,0,0|0,0,2]=4 2942 B13R1.554 CC(CO)N(C)CCc1c[nH]cn1 269982a_100000693034_100020628418 [0,2,0,0,0,0|0,0,2]=4 2943 B13R1.554 CCC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000742827 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.554 CCC(=O)C(C)SCc1c[nH]cn1 62a_100000742827_100000707719 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.554 CCC(C)N(C)CCc1c[nH]cn1 2230a_100000741768_100020628418 [0,2,0,0,0,0|1,0,1]=4 2946 B13R1.554 CCC(C)N(C)CCc1c[nH]cn1 269982a_100000741768_100020628418 [0,2,0,0,0,0|1,0,1]=4 2947 B13R1.554 CNC(=O)C(=O)CCc1c[nH]cn1 1458a_100011218921_100020628418 [0,2,0,0,0,0|1,0,0]=3 2948 B13R1.554 CNC(=O)C(=O)NCc1c[nH]cn1 240690a_100000758547_100011218921 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.554 CNC(=O)C(=O)NCc1c[nH]cn1 527a_100000758547_100011218921 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.554 CNC(=O)C(C)SCc1c[nH]cn1 62a_100000209862_100000707719 [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.554 CNC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000731044 [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.554 CNC(=O)C(F)SCc1c[nH]cn1 62a_100000707719_100009813575 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.554 CNC(=O)C(F)SCc1c[nH]cn1 62a_100009813575_100000707719 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.554 CNC(=O)[C@@H](C)NCc1c[nH]cn1 2230a_100000684985_100000707719 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.554 CNC(=O)[C@@H](C)NCc1c[nH]cn1 34a_100000684985_100000707719 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.554 COC(=O)C(=O)CSc1c[nH]cn1 62a_100000756875_100011610305 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.554 COC(=O)C(=O)CSc1c[nH]cn1 62a_100011610305_100000756875 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.554 COC(=O)C(=O)NCc1c[nH]cn1 11a_100000758547_100000024059 [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.554 COC(=O)C(=O)NCc1c[nH]cn1 240690a_100000758547_100000024059 [0,2,0,0,0,0|2,0,0]=4 2960 B13R1.554 COC(=O)C(=O)NCc1c[nH]cn1 527a_100000758547_100000024059 [0,2,0,0,0,0|2,0,0]=4 2961 B13R1.554 COC(=O)C(C)CSc1c[nH]cn1 62a_100000698445_100000756875 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.554 COC(=O)C(C)CSc1c[nH]cn1 62a_100000756875_100000698445 [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.554 COC(=O)C(C)OCc1c[nH]cn1 34a_100011215400_100000707719 [0,2,0,0,0,0|2,0,0]=4 2964 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000211248_100000707719 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000211248 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.1074 CC(=O)C(C)(C)OCc1c[nH]cn1 34a_100000747739_100000707719 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.1074 CC(=O)C(C)(C)SCc1c[nH]cn1 62a_100000075568_100000707719 [0,2,0,0,0,0|2,0,0]=4 2968 B13R1.1074 CC(=O)C(C)(C)SCc1c[nH]cn1 62a_100000707719_100000075568 [0,2,0,0,0,0|2,0,0]=4 2969 B13R1.2781 CN(CCc1c[nH]cn1)C(C)(C)C 269982a_100011215553_100020628418 [0,2,0,0,0,0|1,0,1]=4 2970 B13R1.3383 CCN(CCc1c[nH]cn1)C(C)C 2230a_100000223864_100020628418 [0,2,0,0,0,0|1,0,1]=4 2971 B13R1.3383 CCN(CCc1c[nH]cn1)C(C)C 269982a_100000223864_100020628418 [0,2,0,0,0,0|1,0,1]=4 2972 B13R1.252 CC(C)(CO)NCCc1c[nH]cn1 2230a_100000210608_100020628418 [0,2,0,0,0,0|0,0,2]=4 2973 B13R1.252 CCC(C)(C)NCCc1c[nH]cn1 2230a_100000211385_100020628418 [0,2,0,0,0,0|1,0,1]=4 2974 B13R1.252 CCS(=O)(=O)NCCc1c[nH]cn1 270084a_100000755092_100000211323 [0,2,0,0,0,0|1,0,0]=3 2975 B13R1.252 CCS(=O)(=O)NCCc1c[nH]cn1 274078a_100000755092_100000211323 [0,2,0,0,0,0|1,0,0]=3 2976 B13R1.252 O=S(=O)(CCl)NCCc1c[nH]cn1 270084a_100000755092_100000031410 [0,2,0,0,0,0|1,0,0]=3 2977 B13R1.252 O=S(=O)(CCl)NCCc1c[nH]cn1 274078a_100000755092_100000031410 [0,2,0,0,0,0|1,0,0]=3 2978 B13R1.404 C#CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100011220946 [0,2,0,0,0,0|0,0,0]=2 2979 B13R1.404 C#CCC(=O)NCCc1ccco1 1626a_100000694680_100011220946 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.404 C#CCC(=O)NCCc1ccco1 527a_100000694680_100011220946 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.404 C#CCC(=O)NCCc1cccs1 1626a_100000203755_100011220946 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.404 C#CCC(=O)NCCc1cccs1 527a_100000203755_100011220946 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.404 C#CCC(=O)NCCc1ccsc1 1626a_100000692642_100011220946 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.404 C#CCC(=O)NCCc1ccsc1 527a_100000692642_100011220946 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.404 C#CCC(=O)NCCc1cn[nH]c1 527a_100000732747_100011220946 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.404 C#CCC(=O)NCCc1cncs1 1626a_100016991637_100011220946 [0,2,0,0,0,0|1,0,1]=4 2987 B13R1.404 C#CCC(=O)NCCc1cncs1 527a_100016991637_100011220946 [0,2,0,0,0,0|1,0,1]=4 2988 B13R1.404 C#CCC(=O)NCCc1ncc[nH]1 527a_100000754300_100011220946 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.404 C#CCC(=O)NCCc1nccs1 1626a_100015186391_100011220946 [0,2,0,0,0,0|2,0,0]=4 2990 B13R1.404 C#CCC(=O)NCCc1nccs1 527a_100015186391_100011220946 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.404 C#CCC(=O)NCCn1cccn1 527a_100011200920_100011220946 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.404 C=CCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210193 [0,2,0,0,0,0|0,0,0]=2 2993 B13R1.404 C=CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210193 [0,2,0,0,0,0|0,0,0]=2 2994 B13R1.404 C=CCC(=O)NCCc1ccco1 11a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.404 C=CCC(=O)NCCc1ccco1 1626a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.404 C=CCC(=O)NCCc1ccco1 240690a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.404 C=CCC(=O)NCCc1ccco1 527a_100000694680_100000210193 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.404 C=CCC(=O)NCCc1cccs1 11a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.404 C=CCC(=O)NCCc1cccs1 1626a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3000 B13R1.404 C=CCC(=O)NCCc1cccs1 240690a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3001 B13R1.404 C=CCC(=O)NCCc1cccs1 527a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3002 B13R1.404 C=CCC(=O)NCCc1ccsc1 11a_100000692642_100000210193 [0,2,0,0,0,0|2,0,0]=4 3003 B13R1.404 C=CCC(=O)NCCc1ccsc1 1626a_100000692642_100000210193 [0,2,0,0,0,0|2,0,0]=4 3004 B13R1.404 C=CCC(=O)NCCc1ccsc1 240690a_100000692642_100000210193 [0,2,0,0,0,0|2,0,0]=4 3005 B13R1.404 C=CCC(=O)NCCc1ccsc1 527a_100000692642_100000210193 [0,2,0,0,0,0|2,0,0]=4 3006 B13R1.404 C=CCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000210193 [0,2,0,0,0,0|2,0,0]=4 3007 B13R1.404 C=CCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000210193 [0,2,0,0,0,0|2,0,0]=4 3008 B13R1.404 C=CCC(=O)NCCc1cncs1 11a_100016991637_100000210193 [0,2,0,0,0,0|1,0,1]=4 3009 B13R1.404 C=CCC(=O)NCCc1cncs1 1626a_100016991637_100000210193 [0,2,0,0,0,0|1,0,1]=4 3010 B13R1.404 C=CCC(=O)NCCc1cncs1 240690a_100016991637_100000210193 [0,2,0,0,0,0|1,0,1]=4 3011 B13R1.404 C=CCC(=O)NCCc1cncs1 527a_100016991637_100000210193 [0,2,0,0,0,0|1,0,1]=4 3012 B13R1.404 C=CCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000210193 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.404 C=CCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000210193 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.404 C=CCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000210193 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.404 C=CCC(=O)NCCc1nccs1 11a_100015186391_100000210193 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.404 C=CCC(=O)NCCc1nccs1 1626a_100015186391_100000210193 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.404 C=CCC(=O)NCCc1nccs1 240690a_100015186391_100000210193 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.404 C=CCC(=O)NCCc1nccs1 527a_100015186391_100000210193 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.404 C=CCC(=O)NCCn1cccn1 11a_100011200920_100000210193 [0,2,0,0,0,0|2,0,0]=4 3020 B13R1.404 C=CCC(=O)NCCn1cccn1 240690a_100011200920_100000210193 [0,2,0,0,0,0|2,0,0]=4 3021 B13R1.404 C=CCC(=O)NCCn1cccn1 527a_100011200920_100000210193 [0,2,0,0,0,0|2,0,0]=4 3022 B13R1.404 C=CCC(=O)NCCn1cncn1 11a_200000738561_100000210193 [0,2,0,0,0,0|1,0,1]=4 3023 B13R1.404 C=CCC(=O)NCCn1cncn1 240690a_200000738561_100000210193 [0,2,0,0,0,0|1,0,1]=4 3024 B13R1.404 CC=CC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210699 [0,2,0,0,0,0|0,0,0]=2 3025 B13R1.404 CC=CC(=O)NCCc1ccco1 11a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 3026 B13R1.404 CC=CC(=O)NCCc1ccco1 1626a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 3027 B13R1.404 CC=CC(=O)NCCc1ccco1 240690a_100000694680_100000210699 [0,2,0,0,0,0|2,0,0]=4 3028 B13R1.404 CC=CC(=O)NCCc1cccs1 11a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 3029 B13R1.404 CC=CC(=O)NCCc1cccs1 1626a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 3030 B13R1.404 CC=CC(=O)NCCc1cccs1 240690a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 3031 B13R1.404 CC=CC(=O)NCCc1ccsc1 11a_100000692642_100000210699 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.404 CC=CC(=O)NCCc1ccsc1 1626a_100000692642_100000210699 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.404 CC=CC(=O)NCCc1ccsc1 240690a_100000692642_100000210699 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.404 CC=CC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000210699 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.404 CC=CC(=O)NCCc1cncs1 11a_100016991637_100000210699 [0,2,0,0,0,0|1,0,1]=4 3036 B13R1.404 CC=CC(=O)NCCc1cncs1 1626a_100016991637_100000210699 [0,2,0,0,0,0|1,0,1]=4 3037 B13R1.404 CC=CC(=O)NCCc1cncs1 240690a_100016991637_100000210699 [0,2,0,0,0,0|1,0,1]=4 3038 B13R1.404 CC=CC(=O)NCCc1ncc[nH]1 11a_100000754300_100000210699 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.404 CC=CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000210699 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.404 CC=CC(=O)NCCc1nccs1 11a_100015186391_100000210699 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.404 CC=CC(=O)NCCc1nccs1 1626a_100015186391_100000210699 [0,2,0,0,0,0|2,0,0]=4 3042 B13R1.404 CC=CC(=O)NCCc1nccs1 240690a_100015186391_100000210699 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.404 CC=CC(=O)NCCn1cccn1 11a_100011200920_100000210699 [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.404 CC=CC(=O)NCCn1cccn1 240690a_100011200920_100000210699 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.404 CC=CC(=O)NCCn1cncn1 11a_200000738561_100000210699 [0,2,0,0,0,0|1,0,1]=4 3046 B13R1.404 CC=CC(=O)NCCn1cncn1 240690a_200000738561_100000210699 [0,2,0,0,0,0|1,0,1]=4 3047 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747444 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.404 CCCC(=O)CSCc1c[nH]cn1 62a_100000747444_100000707719 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.404 CCCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000211992 [0,2,0,0,0,0|0,0,0]=2 3050 B13R1.404 CCCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000211992 [0,2,0,0,0,0|0,0,0]=2 3051 B13R1.404 CCCC(=O)NCCc1ccco1 11a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.404 CCCC(=O)NCCc1ccco1 1626a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.404 CCCC(=O)NCCc1ccco1 240690a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.404 CCCC(=O)NCCc1ccco1 527a_100000694680_100000211992 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.404 CCCC(=O)NCCc1cccs1 11a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.404 CCCC(=O)NCCc1cccs1 1626a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.404 CCCC(=O)NCCc1cccs1 240690a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.404 CCCC(=O)NCCc1cccs1 527a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.404 CCCC(=O)NCCc1ccsc1 11a_100000692642_100000211992 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.404 CCCC(=O)NCCc1ccsc1 1626a_100000692642_100000211992 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.404 CCCC(=O)NCCc1ccsc1 240690a_100000692642_100000211992 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.404 CCCC(=O)NCCc1ccsc1 527a_100000692642_100000211992 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.404 CCCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000211992 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.404 CCCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000211992 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.404 CCCC(=O)NCCc1cncs1 11a_100016991637_100000211992 [0,2,0,0,0,0|1,0,1]=4 3066 B13R1.404 CCCC(=O)NCCc1cncs1 1626a_100016991637_100000211992 [0,2,0,0,0,0|1,0,1]=4 3067 B13R1.404 CCCC(=O)NCCc1cncs1 240690a_100016991637_100000211992 [0,2,0,0,0,0|1,0,1]=4 3068 B13R1.404 CCCC(=O)NCCc1cncs1 527a_100016991637_100000211992 [0,2,0,0,0,0|1,0,1]=4 3069 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000211992 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000211992 [0,2,0,0,0,0|2,0,0]=4 3071 B13R1.404 CCCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000211992 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.404 CCCC(=O)NCCc1nccs1 11a_100015186391_100000211992 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.404 CCCC(=O)NCCc1nccs1 1626a_100015186391_100000211992 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.404 CCCC(=O)NCCc1nccs1 240690a_100015186391_100000211992 [0,2,0,0,0,0|2,0,0]=4 3075 B13R1.404 CCCC(=O)NCCc1nccs1 527a_100015186391_100000211992 [0,2,0,0,0,0|2,0,0]=4 3076 B13R1.404 CCCC(=O)NCCn1cccn1 11a_100011200920_100000211992 [0,2,0,0,0,0|2,0,0]=4 3077 B13R1.404 CCCC(=O)NCCn1cccn1 240690a_100011200920_100000211992 [0,2,0,0,0,0|2,0,0]=4 3078 B13R1.404 CCCC(=O)NCCn1cccn1 527a_100011200920_100000211992 [0,2,0,0,0,0|2,0,0]=4 3079 B13R1.404 CCCC(=O)NCCn1cncn1 11a_200000738561_100000211992 [0,2,0,0,0,0|1,0,1]=4 3080 B13R1.404 CCCC(=O)NCCn1cncn1 240690a_200000738561_100000211992 [0,2,0,0,0,0|1,0,1]=4 3081 B13R1.404 CCCC(=O)OCSc1c[nH]cn1 62a_100000756875_100000034017 [0,2,0,0,0,0|2,0,0]=4 3082 B13R1.404 CCCC(C)NCCc1c[nH]cn1 2230a_100000741246_100020628418 [0,2,0,0,0,0|1,0,1]=4 3083 B13R1.404 CCCC(C)NCCc1c[nH]cn1 270004a_100000755092_100000211909 [0,2,0,0,0,0|1,0,1]=4 3084 B13R1.404 CCNC(=O)CCSc1c[nH]cn1 62a_100000737597_100000756875 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.404 CCNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737597 [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.404 CCNC(=O)CNCc1c[nH]cn1 2230a_100016988866_100000707719 [0,2,0,0,0,0|2,0,0]=4 3087 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000183381_100000707719 [0,2,0,0,0,0|2,0,0]=4 3088 B13R1.404 CCNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183381 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 2708a_100000755092_100015525214 [0,2,0,0,0,0|0,0,0]=2 3090 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 2708a_100015525214_100000755092 [0,2,0,0,0,0|0,0,0]=2 3091 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100015525214 [0,2,0,0,0,0|0,0,0]=2 3092 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 273464a_100015525214_100000755092 [0,2,0,0,0,0|0,0,0]=2 3093 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 512a_100000755092_100015525214 [0,2,0,0,0,0|0,0,0]=2 3094 B13R1.404 CCNC(=O)NCCc1c[nH]cn1 512a_100015525214_100000755092 [0,2,0,0,0,0|0,0,0]=2 3095 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100015525214_100000694680 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.404 CCNC(=O)NCCc1ccco1 273464a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100000694680_100015525214 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100015525214_100000694680 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 3101 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 3105 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.404 CCNC(=O)NCCc1ccsc1 2708a_100000692642_100015525214 [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.404 CCNC(=O)NCCc1ccsc1 2708a_100015525214_100000692642 [0,2,0,0,0,0|2,0,0]=4 3108 B13R1.404 CCNC(=O)NCCc1ccsc1 273464a_100000692642_100015525214 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.404 CCNC(=O)NCCc1ccsc1 273464a_100015525214_100000692642 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.404 CCNC(=O)NCCc1ccsc1 512a_100000692642_100015525214 [0,2,0,0,0,0|2,0,0]=4 3111 B13R1.404 CCNC(=O)NCCc1ccsc1 512a_100015525214_100000692642 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 2708a_100000732747_100015525214 [0,2,0,0,0,0|2,0,0]=4 3113 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 2708a_100015525214_100000732747 [0,2,0,0,0,0|2,0,0]=4 3114 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 273464a_100000732747_100015525214 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 273464a_100015525214_100000732747 [0,2,0,0,0,0|2,0,0]=4 3116 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 512a_100000732747_100015525214 [0,2,0,0,0,0|2,0,0]=4 3117 B13R1.404 CCNC(=O)NCCc1cn[nH]c1 512a_100015525214_100000732747 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100015525214_100016991637 [0,2,0,0,0,0|1,0,1]=4 3119 B13R1.404 CCNC(=O)NCCc1cncs1 2708a_100016991637_100015525214 [0,2,0,0,0,0|1,0,1]=4 3120 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100015525214_100016991637 [0,2,0,0,0,0|1,0,1]=4 3121 B13R1.404 CCNC(=O)NCCc1cncs1 273464a_100016991637_100015525214 [0,2,0,0,0,0|1,0,1]=4 3122 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100015525214_100016991637 [0,2,0,0,0,0|1,0,1]=4 3123 B13R1.404 CCNC(=O)NCCc1cncs1 512a_100016991637_100015525214 [0,2,0,0,0,0|1,0,1]=4 3124 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 2708a_100000754300_100015525214 [0,2,0,0,0,0|2,0,0]=4 3125 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 2708a_100015525214_100000754300 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 273464a_100000754300_100015525214 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 273464a_100015525214_100000754300 [0,2,0,0,0,0|2,0,0]=4 3128 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 512a_100000754300_100015525214 [0,2,0,0,0,0|2,0,0]=4 3129 B13R1.404 CCNC(=O)NCCc1ncc[nH]1 512a_100015525214_100000754300 [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.404 CCNC(=O)NCCc1nccs1 2708a_100015186391_100015525214 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.404 CCNC(=O)NCCc1nccs1 2708a_100015525214_100015186391 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.404 CCNC(=O)NCCc1nccs1 273464a_100015186391_100015525214 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.404 CCNC(=O)NCCc1nccs1 273464a_100015525214_100015186391 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.404 CCNC(=O)NCCc1nccs1 512a_100015186391_100015525214 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.404 CCNC(=O)NCCc1nccs1 512a_100015525214_100015186391 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.404 CCNC(=O)NCCn1cccn1 2708a_100011200920_100015525214 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.404 CCNC(=O)NCCn1cccn1 2708a_100015525214_100011200920 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.404 CCNC(=O)NCCn1cccn1 273464a_100011200920_100015525214 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.404 CCNC(=O)NCCn1cccn1 273464a_100015525214_100011200920 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.404 CCNC(=O)NCCn1cccn1 512a_100011200920_100015525214 [0,2,0,0,0,0|2,0,0]=4 3141 B13R1.404 CCNC(=O)NCCn1cccn1 512a_100015525214_100011200920 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.404 CCNC(=O)NCCn1cncn1 2708a_100015525214_200000738561 [0,2,0,0,0,0|1,0,1]=4 3143 B13R1.404 CCNC(=O)NCCn1cncn1 2708a_200000738561_100015525214 [0,2,0,0,0,0|1,0,1]=4 3144 B13R1.404 CCNC(=O)NCCn1cncn1 273464a_100015525214_200000738561 [0,2,0,0,0,0|1,0,1]=4 3145 B13R1.404 CCNC(=O)NCCn1cncn1 273464a_200000738561_100015525214 [0,2,0,0,0,0|1,0,1]=4 3146 B13R1.404 CCNC(=O)NCCn1cncn1 512a_100015525214_200000738561 [0,2,0,0,0,0|1,0,1]=4 3147 B13R1.404 CCNC(=O)NCCn1cncn1 512a_200000738561_100015525214 [0,2,0,0,0,0|1,0,1]=4 3148 B13R1.404 CCOC(=O)CCSc1c[nH]cn1 62a_100000756875_100000765890 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.404 CCOC(=O)CCSc1c[nH]cn1 62a_100000765890_100000756875 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000188475_100000707719 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.404 CCOC(=O)CSCc1c[nH]cn1 62a_100000707719_100000188475 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.404 CCOC(=O)OCSc1c[nH]cn1 62a_100000756875_100000075025 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.404 CNCC(=O)NCCc1cccs1 2230a_106832991635_100000198571 [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.404 CNCC(=O)NCCc1cccs1 34a_100102657272_100000198571 [0,2,0,0,0,0|2,0,0]=4 3155 B13R1.404 CNCC(=O)NCCc1cccs1 7a_106832991635_100000198571 [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.404 CNCC(=O)NCCc1ccsc1 2230a_106832991635_100000742133 [0,2,0,0,0,0|2,0,0]=4 3157 B13R1.404 CNCC(=O)NCCc1ccsc1 34a_100102657272_100000742133 [0,2,0,0,0,0|2,0,0]=4 3158 B13R1.404 CNCC(=O)NCCc1ccsc1 7a_106832991635_100000742133 [0,2,0,0,0,0|2,0,0]=4 3159 B13R1.404 CNNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100016993582 [0,2,0,0,0,0|0,0,0]=2 3160 B13R1.404 CNNC(=O)NCCc1c[nH]cn1 512a_100000755092_100016993582 [0,2,0,0,0,0|0,0,0]=2 3161 B13R1.404 CNNC(=O)NCCc1c[nH]cn1 512a_100016993582_100000755092 [0,2,0,0,0,0|0,0,0]=2 3162 B13R1.404 CNNC(=O)NCCc1ccco1 273464a_100000694680_100016993582 [0,2,0,0,0,0|2,0,0]=4 3163 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100000694680_100016993582 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.404 CNNC(=O)NCCc1ccco1 512a_100016993582_100000694680 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.404 CNNC(=O)NCCc1cccs1 273464a_100000203755_100016993582 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100000203755_100016993582 [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100016993582_100000203755 [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.404 CNNC(=O)NCCc1ccsc1 273464a_100000692642_100016993582 [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.404 CNNC(=O)NCCc1ccsc1 512a_100000692642_100016993582 [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.404 CNNC(=O)NCCc1ccsc1 512a_100016993582_100000692642 [0,2,0,0,0,0|2,0,0]=4 3171 B13R1.404 CNNC(=O)NCCc1cn[nH]c1 273464a_100000732747_100016993582 [0,2,0,0,0,0|2,0,0]=4 3172 B13R1.404 CNNC(=O)NCCc1cn[nH]c1 512a_100000732747_100016993582 [0,2,0,0,0,0|2,0,0]=4 3173 B13R1.404 CNNC(=O)NCCc1cn[nH]c1 512a_100016993582_100000732747 [0,2,0,0,0,0|2,0,0]=4 3174 B13R1.404 CNNC(=O)NCCc1cncs1 273464a_100016991637_100016993582 [0,2,0,0,0,0|1,0,1]=4 3175 B13R1.404 CNNC(=O)NCCc1cncs1 512a_100016991637_100016993582 [0,2,0,0,0,0|1,0,1]=4 3176 B13R1.404 CNNC(=O)NCCc1cncs1 512a_100016993582_100016991637 [0,2,0,0,0,0|1,0,1]=4 3177 B13R1.404 CNNC(=O)NCCc1ncc[nH]1 273464a_100000754300_100016993582 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.404 CNNC(=O)NCCc1ncc[nH]1 512a_100000754300_100016993582 [0,2,0,0,0,0|2,0,0]=4 3179 B13R1.404 CNNC(=O)NCCc1ncc[nH]1 512a_100016993582_100000754300 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.404 CNNC(=O)NCCc1nccs1 273464a_100015186391_100016993582 [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.404 CNNC(=O)NCCc1nccs1 512a_100015186391_100016993582 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.404 CNNC(=O)NCCc1nccs1 512a_100016993582_100015186391 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.404 CNNC(=O)NCCn1cccn1 273464a_100011200920_100016993582 [0,2,0,0,0,0|2,0,0]=4 3184 B13R1.404 CNNC(=O)NCCn1cccn1 512a_100011200920_100016993582 [0,2,0,0,0,0|2,0,0]=4 3185 B13R1.404 CNNC(=O)NCCn1cccn1 512a_100016993582_100011200920 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.404 CNNC(=O)NCCn1cncn1 273464a_200000738561_100016993582 [0,2,0,0,0,0|1,0,1]=4 3187 B13R1.404 CNNC(=O)NCCn1cncn1 512a_100016993582_200000738561 [0,2,0,0,0,0|1,0,1]=4 3188 B13R1.404 CNNC(=O)NCCn1cncn1 512a_200000738561_100016993582 [0,2,0,0,0,0|1,0,1]=4 3189 B13R1.404 COCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210968 [0,2,0,0,0,0|0,0,0]=2 3190 B13R1.404 COCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210968 [0,2,0,0,0,0|0,0,0]=2 3191 B13R1.404 COCC(=O)NCCc1ccco1 11a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.404 COCC(=O)NCCc1ccco1 1626a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.404 COCC(=O)NCCc1ccco1 240690a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 3194 B13R1.404 COCC(=O)NCCc1ccco1 527a_100000694680_100000210968 [0,2,0,0,0,0|2,0,0]=4 3195 B13R1.404 COCC(=O)NCCc1cccs1 11a_100000203755_100000210968 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.404 COCC(=O)NCCc1cccs1 1626a_100000203755_100000210968 [0,2,0,0,0,0|2,0,0]=4 3197 B13R1.404 COCC(=O)NCCc1cccs1 240690a_100000203755_100000210968 [0,2,0,0,0,0|2,0,0]=4 3198 B13R1.404 COCC(=O)NCCc1cccs1 34a_100138415774_100000198571 [0,2,0,0,0,0|2,0,0]=4 3199 B13R1.404 COCC(=O)NCCc1cccs1 527a_100000203755_100000210968 [0,2,0,0,0,0|2,0,0]=4 3200 B13R1.404 COCC(=O)NCCc1ccsc1 11a_100000692642_100000210968 [0,2,0,0,0,0|2,0,0]=4 3201 B13R1.404 COCC(=O)NCCc1ccsc1 1626a_100000692642_100000210968 [0,2,0,0,0,0|2,0,0]=4 3202 B13R1.404 COCC(=O)NCCc1ccsc1 240690a_100000692642_100000210968 [0,2,0,0,0,0|2,0,0]=4 3203 B13R1.404 COCC(=O)NCCc1ccsc1 34a_100138415774_100000742133 [0,2,0,0,0,0|2,0,0]=4 3204 B13R1.404 COCC(=O)NCCc1ccsc1 527a_100000692642_100000210968 [0,2,0,0,0,0|2,0,0]=4 3205 B13R1.404 COCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000210968 [0,2,0,0,0,0|2,0,0]=4 3206 B13R1.404 COCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000210968 [0,2,0,0,0,0|2,0,0]=4 3207 B13R1.404 COCC(=O)NCCc1cncs1 11a_100016991637_100000210968 [0,2,0,0,0,0|1,0,1]=4 3208 B13R1.404 COCC(=O)NCCc1cncs1 1626a_100016991637_100000210968 [0,2,0,0,0,0|1,0,1]=4 3209 B13R1.404 COCC(=O)NCCc1cncs1 240690a_100016991637_100000210968 [0,2,0,0,0,0|1,0,1]=4 3210 B13R1.404 COCC(=O)NCCc1cncs1 527a_100016991637_100000210968 [0,2,0,0,0,0|1,0,1]=4 3211 B13R1.404 COCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000210968 [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.404 COCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000210968 [0,2,0,0,0,0|2,0,0]=4 3213 B13R1.404 COCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000210968 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.404 COCC(=O)NCCc1nccs1 11a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.404 COCC(=O)NCCc1nccs1 1626a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.404 COCC(=O)NCCc1nccs1 240690a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.404 COCC(=O)NCCc1nccs1 527a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.404 COCC(=O)NCCn1cccn1 11a_100011200920_100000210968 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.404 COCC(=O)NCCn1cccn1 240690a_100011200920_100000210968 [0,2,0,0,0,0|2,0,0]=4 3220 B13R1.404 COCC(=O)NCCn1cccn1 527a_100011200920_100000210968 [0,2,0,0,0,0|2,0,0]=4 3221 B13R1.404 COCC(=O)NCCn1cncn1 11a_200000738561_100000210968 [0,2,0,0,0,0|1,0,1]=4 3222 B13R1.404 COCC(=O)NCCn1cncn1 240690a_200000738561_100000210968 [0,2,0,0,0,0|1,0,1]=4 3223 B13R1.404 COCC(C)NCCc1c[nH]cn1 270004a_100000755092_100000749346 [0,2,0,0,0,0|0,0,2]=4 3224 B13R1.404 COC[C@@H](C)NCCc1c[nH]cn1 2230a_100000764878_100020628418 [0,2,0,0,0,0|0,0,2]=4 3225 B13R1.404 CSCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000184570 [0,2,0,0,0,0|0,0,0]=2 3226 B13R1.404 CSCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000184570 [0,2,0,0,0,0|0,0,0]=2 3227 B13R1.404 CSCC(=O)NCCc1ccco1 11a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.404 CSCC(=O)NCCc1ccco1 1626a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 3229 B13R1.404 CSCC(=O)NCCc1ccco1 240690a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 3230 B13R1.404 CSCC(=O)NCCc1ccco1 527a_100000694680_100000184570 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.404 CSCC(=O)NCCc1cccs1 11a_100000203755_100000184570 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.404 CSCC(=O)NCCc1cccs1 1626a_100000203755_100000184570 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.404 CSCC(=O)NCCc1cccs1 240690a_100000203755_100000184570 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.404 CSCC(=O)NCCc1cccs1 527a_100000203755_100000184570 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.404 CSCC(=O)NCCc1cccs1 62a_100000198571_200000210301 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.404 CSCC(=O)NCCc1cccs1 62a_200000210301_100000198571 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.404 CSCC(=O)NCCc1ccsc1 11a_100000692642_100000184570 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.404 CSCC(=O)NCCc1ccsc1 1626a_100000692642_100000184570 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.404 CSCC(=O)NCCc1ccsc1 240690a_100000692642_100000184570 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.404 CSCC(=O)NCCc1ccsc1 527a_100000692642_100000184570 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.404 CSCC(=O)NCCc1ccsc1 62a_100000742133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.404 CSCC(=O)NCCc1ccsc1 62a_200000210301_100000742133 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.404 CSCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100000184570 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.404 CSCC(=O)NCCc1cn[nH]c1 527a_100000732747_100000184570 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.404 CSCC(=O)NCCc1cncs1 11a_100016991637_100000184570 [0,2,0,0,0,0|1,0,1]=4 3246 B13R1.404 CSCC(=O)NCCc1cncs1 1626a_100016991637_100000184570 [0,2,0,0,0,0|1,0,1]=4 3247 B13R1.404 CSCC(=O)NCCc1cncs1 240690a_100016991637_100000184570 [0,2,0,0,0,0|1,0,1]=4 3248 B13R1.404 CSCC(=O)NCCc1cncs1 527a_100016991637_100000184570 [0,2,0,0,0,0|1,0,1]=4 3249 B13R1.404 CSCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000184570 [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.404 CSCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000184570 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.404 CSCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000184570 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.404 CSCC(=O)NCCc1nccs1 11a_100015186391_100000184570 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.404 CSCC(=O)NCCc1nccs1 1626a_100015186391_100000184570 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.404 CSCC(=O)NCCc1nccs1 240690a_100015186391_100000184570 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.404 CSCC(=O)NCCc1nccs1 527a_100015186391_100000184570 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.404 CSCC(=O)NCCn1cccn1 11a_100011200920_100000184570 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.404 CSCC(=O)NCCn1cccn1 240690a_100011200920_100000184570 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.404 CSCC(=O)NCCn1cccn1 527a_100011200920_100000184570 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.404 CSCC(=O)NCCn1cncn1 11a_200000738561_100000184570 [0,2,0,0,0,0|1,0,1]=4 3260 B13R1.404 CSCC(=O)NCCn1cncn1 240690a_200000738561_100000184570 [0,2,0,0,0,0|1,0,1]=4 3261 B13R1.404 CSCC(C)NCCc1c[nH]cn1 270004a_100000755092_100011216314 [0,2,0,0,0,0|0,1,1]=4 3262 B13R1.404 C[C@@H](CC#N)NCCc1c[nH]cn1 2230a_100016994482_100020628418 [0,2,0,0,0,0|1,0,1]=4 3263 B13R1.404 C[C@H](CCO)NCCc1c[nH]cn1 2230a_100000706166_100020628418 [0,2,0,0,0,0|0,0,2]=4 3264 B13R1.404 N#CCC(=O)NCCc1ccco1 1626a_100000694680_100051588842 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.404 N#CCC(=O)NCCc1ccco1 240690a_100000694680_100051588842 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.404 N#CCC(=O)NCCc1cccs1 1626a_100000203755_100051588842 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.404 N#CCC(=O)NCCc1cccs1 240690a_100000203755_100051588842 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.404 N#CCC(=O)NCCc1ccsc1 1626a_100000692642_100051588842 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.404 N#CCC(=O)NCCc1ccsc1 240690a_100000692642_100051588842 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.404 N#CCC(=O)NCCc1cn[nH]c1 240690a_100000732747_100051588842 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.404 N#CCC(=O)NCCc1cncs1 1626a_100016991637_100051588842 [0,2,0,0,0,0|1,0,1]=4 3272 B13R1.404 N#CCC(=O)NCCc1cncs1 240690a_100016991637_100051588842 [0,2,0,0,0,0|1,0,1]=4 3273 B13R1.404 N#CCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100051588842 [0,2,0,0,0,0|2,0,0]=4 3274 B13R1.404 N#CCC(=O)NCCc1nccs1 1626a_100015186391_100051588842 [0,2,0,0,0,0|2,0,0]=4 3275 B13R1.404 N#CCC(=O)NCCc1nccs1 240690a_100015186391_100051588842 [0,2,0,0,0,0|2,0,0]=4 3276 B13R1.404 N#CCC(=O)NCCn1cccn1 240690a_100011200920_100051588842 [0,2,0,0,0,0|2,0,0]=4 3277 B13R1.404 N#CCC(=O)NCCn1cncn1 240690a_200000738561_100051588842 [0,2,0,0,0,0|1,0,1]=4 3278 B13R1.404 O=C(C=CCl)NCCc1c[nH]cn1 11a_100000755092_200016279998 [0,2,0,0,0,0|0,0,1]=3 3279 B13R1.404 O=C(CCO)NCCc1ccco1 240690a_100000694680_100011216618 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.404 O=C(CCO)NCCc1cccs1 240690a_100000203755_100011216618 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.404 O=C(CCO)NCCc1ccsc1 240690a_100000692642_100011216618 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.404 O=C(CCO)NCCc1cn[nH]c1 240690a_100000732747_100011216618 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.404 O=C(CCO)NCCc1cncs1 240690a_100016991637_100011216618 [0,2,0,0,0,0|1,0,1]=4 3284 B13R1.404 O=C(CCO)NCCc1ncc[nH]1 240690a_100000754300_100011216618 [0,2,0,0,0,0|2,0,0]=4 3285 B13R1.404 O=C(CCO)NCCc1nccs1 240690a_100015186391_100011216618 [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.404 O=C(CCO)NCCn1cccn1 240690a_100011200920_100011216618 [0,2,0,0,0,0|2,0,0]=4 3287 B13R1.404 O=C(CCO)NCCn1cncn1 240690a_200000738561_100011216618 [0,2,0,0,0,0|1,0,1]=4 3288 B13R1.404 O=C(CSCc1c[nH]cn1)NCO 62a_100000185155_100000707719 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.404 O=C(CSCc1c[nH]cn1)NCO 62a_100000707719_100000185155 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_100000198571_200025704644 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_200025704644_100000198571 [0,2,0,0,0,0|2,0,0]=4 3292 B13R1.404 [13CH3]SCC(=O)NCCc1ccsc1 62a_100000742133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.404 [13CH3]SCC(=O)NCCc1ccsc1 62a_200025704644_100000742133 [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.415 C=C[C@@H](CO)NCCc1c[nH]cn1 2230a_100016989147_100020628418 [0,2,0,0,0,0|1,0,1]=4 3295 B13R1.415 CCC(CC)NCCc1c[nH]cn1 2230a_100000199018_100020628418 [0,2,0,0,0,0|1,0,1]=4 3296 B13R1.415 CCC(CC)NCCc1c[nH]cn1 270004a_100000755092_100000210860 [0,2,0,0,0,0|1,0,1]=4 3297 B13R1.415 CC[C@@H](CO)NCCc1c[nH]cn1 2230a_100000709445_100020628418 [0,2,0,0,0,0|0,0,2]=4 3298 B13R1.415 OCC(CO)NCCc1c[nH]cn1 2230a_100000759517_100020628418 [0,2,0,0,0,0|0,0,2]=4 3299 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 3300 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 3301 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,1,1,0,0|1,0,1]=4 3302 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,1,1,0,0|1,0,1]=4 3303 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,1,1,0,0|1,0,1]=4 3304 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,1,1,0,0|1,0,1]=4 3305 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,1,1,0,0|1,0,1]=4 3306 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,1,1,0,0|0,0,2]=4 3307 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,1,1,0,0|0,0,2]=4 3308 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,1,1,0,0|0,0,2]=4 3309 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,1,1,0,0|0,0,2]=4 3310 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,1,1,0,0|0,0,2]=4 3311 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,1,1,0,0|0,0,2]=4 3312 B11R2.36 CN1CCc2nc[nH]c2C1 2230a_100000723896_200000210301 [0,0,0,1,1,0|2,0,0]=4 3313 B11R2.36 [13CH3]N1CCc2nc[nH]c2C1 2230a_100000723896_200025704644 [0,0,0,1,1,0|2,0,0]=4 3314 B13R2.10 O=C1CN(CN1)c2cccnn2 27a_200000708111_100016991348 [0,0,0,1,0,1|2,0,0]=4 3315 B13R2.10 O=C1CN(CN1)c2ccncn2 27a_200000708111_100000703185 [0,0,0,1,0,1|1,0,1]=4 3316 B13R2.10 O=C1CN(CN1)c2cnccn2 27a_200000708111_100000211759 [0,0,0,1,0,1|1,0,1]=4 3317 B13R2.10 O=C1CN(CN1)c2ncccn2 27a_200000708111_100000211032 [0,0,0,1,0,1|2,0,0]=4 3318 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,1|2,0,0]=4 3319 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,1|2,0,0]=4 3320 B13R2.13 O=C1C=C(CCC1)c2c[nH]cn2 271570a_100000723966_100000756875 [0,0,0,1,0,1|1,0,1]=4 3321 B13R2.13 O=C1CN(CCN1)c2ncns2 27a_100000184651_100000693119 [0,0,0,1,0,1|1,0,1]=4 3322 B13R2.142 O=C1CC(CN1)Nc2ncns2 27a_100000697751_100000693119 [0,0,0,1,0,1|1,0,1]=4 3323 B13R2.142 O=C1CN(CN1)Cc2c[nH]cn2 2230a_200000708111_100000707719 [0,0,0,1,0,1|0,0,0]=2 3324 B13R2.142 O=C1CN(CN1)Cc2ccon2 2230a_200000708111_100000234950 [0,0,0,1,0,1|2,0,0]=4 3325 B13R2.142 O=C1CN(CN1)Cc2ccsc2 2230a_200000708111_100011261437 [0,0,0,1,0,1|2,0,0]=4 3326 B13R2.142 O=C1CN(CN1)Cc2cncs2 2230a_200000708111_100015185245 [0,0,0,1,0,1|1,0,1]=4 3327 B13R2.142 O=C1CN(CN1)Cc2cscn2 2230a_200000708111_100000205941 [0,0,0,1,0,1|1,0,0]=3 3328 B13R2.142 O=C1CN(CN1)Cc2ncc[nH]2 2230a_200000708111_100016991755 [0,0,0,1,0,1|2,0,0]=4 3329 B13R2.142 O=C1CN(CN1)Cc2ncco2 2230a_200000708111_103436540062 [0,0,0,1,0,1|2,0,0]=4 3330 B13R2.142 O=C1CN(CN1)Cc2nccs2 2230a_200000708111_100015184050 [0,0,0,1,0,1|2,0,0]=4 3331 B13R2.142 O=C1CN(CN1)Cn2cncn2 2230a_200000708111_200020645497 [0,0,0,1,0,1|1,0,1]=4 3332 B13R2.142 O=C1OCC(O1)Sc2c[nH]cn2 62a_100000756875_100000032252 [0,0,0,1,0,1|2,0,0]=4 3333 B13R2.196 F[C@@H]1C[C@H]1NCCc2c[nH]cn2 2230a_100025746932_100020628418 [0,0,0,1,0,1|1,0,1]=4 3334 B13R2.196 F[C@H]1C[C@H]1NCCc2c[nH]cn2 2230a_100015190264_100020628418 [0,0,0,1,0,1|1,0,1]=4 3335 B13R2.241 C=C1CC(C1)NCc2c[nH]cn2 2230a_100132301982_100000707719 [0,0,0,1,0,1|2,0,0]=4 3336 B13R2.241 CC1CN(C1)CCc2c[nH]cn2 2230a_100000702820_100020628418 [0,0,0,1,0,1|1,0,1]=4 3337 B13R2.241 CC1CN(C1)CCc2c[nH]cn2 269982a_100000702820_100020628418 [0,0,0,1,0,1|1,0,1]=4 3338 B13R2.241 FC1CN(C1)CCc2c[nH]cn2 2230a_100000690557_100020628418 [0,0,0,1,0,1|1,0,1]=4 3339 B13R2.241 FC1CN(C1)CCc2c[nH]cn2 269982a_100000690557_100020628418 [0,0,0,1,0,1|1,0,1]=4 3340 B13R2.241 O=C1CC(C1)CSc2c[nH]cn2 62a_100000756875_100009874392 [0,0,0,1,0,1|1,0,0]=3 3341 B13R2.241 O=C1CC(C1)CSc2c[nH]cn2 62a_100009874392_100000756875 [0,0,0,1,0,1|1,0,0]=3 3342 B13R2.241 O=C1CC(C1)CSc2c[nH]nn2 62a_100009819707_100009874392 [0,0,0,1,0,1|2,0,0]=4 3343 B13R2.241 O=C1CC(C1)CSc2c[nH]nn2 62a_100009874392_100009819707 [0,0,0,1,0,1|2,0,0]=4 3344 B13R2.241 O=C1CC(C1)CSc2cscn2 62a_100000751502_100009874392 [0,0,0,1,0,1|2,0,0]=4 3345 B13R2.241 O=C1CC(C1)CSc2cscn2 62a_100009874392_100000751502 [0,0,0,1,0,1|2,0,0]=4 3346 B13R2.241 O=C1CC(C1)CSc2nc[nH]n2 62a_100000761765_100009874392 [0,0,0,1,0,1|2,0,0]=4 3347 B13R2.241 O=C1CC(C1)CSc2nc[nH]n2 62a_100009874392_100000761765 [0,0,0,1,0,1|2,0,0]=4 3348 B13R2.241 O=C1CC(C1)SCc2c[nH]cn2 62a_100009894365_100000707719 [0,0,0,1,0,1|1,0,0]=3 3349 B13R2.241 O=C1CC(C1)SCc2cscn2 62a_100009894365_100000205941 [0,0,0,1,0,1|2,0,0]=4 3350 B13R2.241 OC1CN(C1)CCc2c[nH]cn2 269982a_100000749847_100020628418 [0,0,0,1,0,1|0,0,2]=4 3351 B13R2.2380 c1nc(c[nH]1)CCNCC2CC2 2230a_100000735609_100020628418 [0,0,0,1,0,1|1,0,1]=4 3352 B13R2.436 CC(=O)N1CC(C1)n2cccn2 11a_100000751007_100015343762 [0,1,0,1,0,0|2,0,0]=4 3353 B13R2.436 CC(=O)N1CC(C1)n2cccn2 527a_100000751007_100103153847 [0,1,0,1,0,0|2,0,0]=4 3354 B13R2.11 Cc1noc(n1)C2CNC(=O)C2 270196a_100000212224_100000747279 [0,1,0,1,0,0|1,0,1]=4 3355 B13R2.2965 Cc1nc(c[nH]1)SC2CC(=O)C2 62a_100009894365_100009814057 [0,1,0,1,0,0|2,0,0]=4 3356 B13R2.2965 Cn1cnc(c1)SC2CC(=O)C2 62a_100009894365_100000040308 [0,1,0,1,0,0|2,0,0]=4 3357 B13R2.361 Cc1[nH]cnc1SC2CC(=O)C2 62a_100009894365_100010186451 [0,1,0,1,0,0|2,0,0]=4 3358 B13R2.430 CC(=O)N1CCc2ccsc2C1 11a_100000694341_100015343762 [0,1,0,1,0,0|2,0,0]=4 3359 B13R2.430 CC(=O)N1CCc2ccsc2C1 1626a_100000694341_100015343762 [0,1,0,1,0,0|2,0,0]=4 3360 B13R2.430 CC(=O)N1CCc2ccsc2C1 240690a_100000694341_100015343762 [0,1,0,1,0,0|2,0,0]=4 3361 B13R2.430 CC(=O)N1CCc2ccsc2C1 527a_100000694341_100103153847 [0,1,0,1,0,0|2,0,0]=4 3362 B13R2.430 CC(=O)N1CCc2cn[nH]c2C1 11a_100020645538_100015343762 [0,1,0,1,0,0|2,0,0]=4 3363 B13R2.430 CC(=O)N1CCc2cn[nH]c2C1 240690a_100020645538_100015343762 [0,1,0,1,0,0|2,0,0]=4 3364 B13R2.430 CC(=O)N1CCc2cn[nH]c2C1 527a_100020645538_100103153847 [0,1,0,1,0,0|2,0,0]=4 3365 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 11a_100000723896_100015343762 [0,1,0,1,0,0|0,0,0]=2 3366 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 240690a_100000723896_100015343762 [0,1,0,1,0,0|0,0,0]=2 3367 B13R2.430 CC(=O)N1CCc2nc[nH]c2C1 527a_100000723896_100103153847 [0,1,0,1,0,0|0,0,0]=2 3368 B13R2.430 CC(=O)N1CCc2sccc2C1 11a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 3369 B13R2.430 CC(=O)N1CCc2sccc2C1 1626a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 3370 B13R2.430 CC(=O)N1CCc2sccc2C1 240690a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 3371 B13R2.430 CC(=O)N1CCc2sccc2C1 527a_100015185043_100103153847 [0,1,0,1,0,0|2,0,0]=4 3372 B13R2.430 CC(=O)N1CCn2nccc2C1 11a_100016988820_100015343762 [0,1,0,1,0,0|2,0,0]=4 3373 B13R2.430 CC(=O)N1CCn2nccc2C1 240690a_100016988820_100015343762 [0,1,0,1,0,0|2,0,0]=4 3374 B13R2.430 CC(=O)N1CCn2nccc2C1 527a_100016988820_100103153847 [0,1,0,1,0,0|2,0,0]=4 3375 B13R2.430 CC(=O)N1CCn2ncnc2C1 11a_100000094338_100015343762 [0,1,0,1,0,0|1,0,1]=4 3376 B13R2.430 CC(=O)N1CCn2ncnc2C1 240690a_100000094338_100015343762 [0,1,0,1,0,0|1,0,1]=4 3377 B13R2.430 CC(=O)N1CCn2ncnc2C1 527a_100000094338_100103153847 [0,1,0,1,0,0|1,0,1]=4 3378 B13R2.430 CC(C)N1CCc2nc[nH]c2C1 2230a_100000723896_100000210206 [0,1,0,1,0,0|1,0,1]=4 3379 B13R2.158 CC1CCN1CCc2c[nH]cn2 269982a_100000755817_100020628418 [0,1,0,1,0,0|1,0,1]=4 3380 B13R2.158 O=C1CCC1SCc2c[nH]cn2 62a_100000707719_100009892977 [0,1,0,1,0,0|2,0,0]=4 3381 B13R2.158 O=C1CCC1SCc2c[nH]cn2 62a_100009892977_100000707719 [0,1,0,1,0,0|2,0,0]=4 3382 B13R2.6970 CN(CCc1c[nH]cn1)C2CC2 2230a_100000226674_100020628418 [0,1,0,1,0,0|1,0,1]=4 3383 B13R2.6970 CN(CCc1c[nH]cn1)C2CC2 269982a_100000226674_100020628418 [0,1,0,1,0,0|1,0,1]=4 3384 B13R2.2381 c1nc(c[nH]1)CCNC2CCC2 2230a_100000749019_100020628418 [0,1,0,1,0,0|1,0,1]=4 3385 B13R2.2381 c1nc(c[nH]1)CCNC2CCC2 270004a_100000755092_100000241760 [0,1,0,1,0,0|1,0,1]=4 3386 B13R2.2381 c1nc(c[nH]1)CCNC2COC2 2230a_100016991112_100020628418 [0,1,0,1,0,0|0,0,2]=4 3387 B13R2.3205 CC1(CC1)NCCc2c[nH]cn2 2230a_100000757604_100020628418 [0,1,0,1,0,0|1,0,1]=4 3388 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,2,0|1,0,1]=4 3389 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,2,0|0,0,0]=2 3390 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,2,0|0,0,0]=2 3391 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,2,0|1,0,1]=4 3392 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,2,0|2,0,0]=4 3393 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,2,0|2,0,0]=4 3394 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,2,0|2,0,0]=4 3395 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,2,0|2,0,0]=4 3396 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,2,0|2,0,0]=4 3397 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,2,0|2,0,0]=4 3398 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,2,0|1,0,1]=4 3399 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,2,0|1,0,0]=3 3400 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,2,0|1,0,0]=3 3401 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,2,0|2,0,0]=4 3402 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,2,0|2,0,0]=4 3403 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,2,0|2,0,0]=4 3404 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,2,0|1,0,1]=4 3405 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,2,0|1,0,1]=4 3406 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,0,0,0,2,0|2,0,0]=4 3407 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,0,0,0,2,0|2,0,0]=4 3408 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,2,0|0,0,0]=2 3409 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,2,0|1,0,1]=4 3410 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,2,0|2,0,0]=4 3411 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,2,0|2,0,0]=4 3412 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,2,0|2,0,0]=4 3413 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,2,0|2,0,0]=4 3414 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,2,0|1,0,0]=3 3415 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,2,0|2,0,0]=4 3416 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,2,0|1,0,1]=4 3417 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,0,0,0,0,1|1,0,1]=4 3418 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,0,0,0,0,1|1,0,1]=4 3419 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,0,0,0,0,1|1,0,1]=4 3420 B13R1.337 C=C(C)CNCCc1cccnc1 2230a_100000736294_100000748629 [0,0,0,0,0,2|2,0,0]=4 3421 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,2|2,0,0]=4 3422 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,2|2,0,0]=4 3423 B13R1.337 CC(=O)CCCOc1cncnc1 7a_100000754086_100011215641 [0,0,0,0,0,2|1,0,1]=4 3424 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,0,0,0,0,2|2,0,0]=4 3425 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,0,0,0,0,2|2,0,0]=4 3426 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,0,0,0,0,2|2,0,0]=4 3427 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,0,0,0,0,2|2,0,0]=4 3428 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100011215641_100016991348 [0,0,0,0,0,2|2,0,0]=4 3429 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100016991348_100011215641 [0,0,0,0,0,2|2,0,0]=4 3430 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100000703185_100011215641 [0,0,0,0,0,2|1,0,1]=4 3431 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100011215641_100000703185 [0,0,0,0,0,2|1,0,1]=4 3432 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100000211759_100011215641 [0,0,0,0,0,2|1,0,1]=4 3433 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100011215641_100000211759 [0,0,0,0,0,2|1,0,1]=4 3434 B13R1.337 CC(=O)CCCSc1cncnc1 62a_100011206942_100011215641 [0,0,0,0,0,2|1,0,1]=4 3435 B13R1.337 CC(=O)CCCSc1cncnc1 62a_100011215641_100011206942 [0,0,0,0,0,2|1,0,1]=4 3436 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100000211032_100011215641 [0,0,0,0,0,2|2,0,0]=4 3437 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100011215641_100000211032 [0,0,0,0,0,2|2,0,0]=4 3438 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 3439 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 3440 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,2|2,0,0]=4 3441 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,2|2,0,0]=4 3442 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,0,0,0,0,2|2,0,0]=4 3443 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,0,0,0,0,2|2,0,0]=4 3444 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,0,0,0,0,2|1,0,1]=4 3445 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,0,0,0,0,2|1,0,1]=4 3446 B13R1.337 CC(=O)CCOCc1cncnc1 34a_100000759926_100015196519 [0,0,0,0,0,2|1,0,1]=4 3447 B13R1.337 CC(=O)CCOCc1cncnc1 7a_100000759926_100015196519 [0,0,0,0,0,2|1,0,1]=4 3448 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,0,0,0,0,2|2,0,0]=4 3449 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,0,0,0,0,2|2,0,0]=4 3450 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,0,0,0,0,2|2,0,0]=4 3451 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,0,0,0,0,2|2,0,0]=4 3452 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,0,0,0,0,2|2,0,0]=4 3453 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,0,0,0,0,2|2,0,0]=4 3454 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,0,0,0,0,2|2,0,0]=4 3455 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [0,0,0,0,0,2|2,0,0]=4 3456 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [0,0,0,0,0,2|2,0,0]=4 3457 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [0,0,0,0,0,2|1,0,1]=4 3458 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [0,0,0,0,0,2|1,0,1]=4 3459 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100000053229_100015196519 [0,0,0,0,0,2|1,0,1]=4 3460 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100015196519_100000053229 [0,0,0,0,0,2|1,0,1]=4 3461 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [0,0,0,0,0,2|2,0,0]=4 3462 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [0,0,0,0,0,2|2,0,0]=4 3463 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 3464 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 3465 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 3466 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,2|2,0,0]=4 3467 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,0,0,0,0,2|1,0,0]=3 3468 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,0,0,0,0,2|1,0,0]=3 3469 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,0,0,0,0,2|1,0,0]=3 3470 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,0,0,0,0,2|1,0,0]=3 3471 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,0,0,0,0,2|1,0,0]=3 3472 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,0,0,0,0,2|1,0,0]=3 3473 B13R1.337 CC(=O)NCCCc1ccncc1 1626a_100011275580_100015343762 [0,0,0,0,0,2|1,0,1]=4 3474 B13R1.337 CC(=O)NCCCc1ccncc1 240690a_100011275580_100015343762 [0,0,0,0,0,2|1,0,1]=4 3475 B13R1.337 CC(=O)NCCCc1ccncc1 527a_100011275580_100103153847 [0,0,0,0,0,2|1,0,1]=4 3476 B13R1.337 CC(=O)NCCNc1cccnn1 27a_100000209853_100016991348 [0,0,0,0,0,2|1,0,0]=3 3477 B13R1.337 CC(=O)NCCNc1ccncn1 27a_100000209853_100000703185 [0,0,0,0,0,2|0,0,1]=3 3478 B13R1.337 CC(=O)NCCNc1cnccn1 27a_100000209853_100000211759 [0,0,0,0,0,2|0,0,1]=3 3479 B13R1.337 CC(=O)NCCNc1ncccn1 27a_100000209853_100000211032 [0,0,0,0,0,2|1,0,0]=3 3480 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,0,0,0,0,2|2,0,0]=4 3481 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,0,0,0,0,2|2,0,0]=4 3482 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,0,0,0,0,2|2,0,0]=4 3483 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,0,0,0,0,2|2,0,0]=4 3484 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,0,0,0,0,2|2,0,0]=4 3485 B13R1.337 CC(=O)NCCOc1ccccn1 11a_106741647558_100015343762 [0,0,0,0,0,2|1,0,0]=3 3486 B13R1.337 CC(=O)NCCOc1ccccn1 1626a_106741647558_100015343762 [0,0,0,0,0,2|1,0,0]=3 3487 B13R1.337 CC(=O)NCCOc1ccccn1 240690a_106741647558_100015343762 [0,0,0,0,0,2|1,0,0]=3 3488 B13R1.337 CC(=O)NCCOc1ccccn1 527a_106741647558_100103153847 [0,0,0,0,0,2|1,0,0]=3 3489 B13R1.337 CC(=O)NCCOc1cccnc1 11a_100000754688_100015343762 [0,0,0,0,0,2|1,0,0]=3 3490 B13R1.337 CC(=O)NCCOc1cccnc1 240690a_100000754688_100015343762 [0,0,0,0,0,2|1,0,0]=3 3491 B13R1.337 CC(=O)NCCOc1cccnc1 527a_100000754688_100103153847 [0,0,0,0,0,2|1,0,0]=3 3492 B13R1.337 CC(=O)NCCOc1cccnc1 7a_100000210849_100000189650 [0,0,0,0,0,2|1,0,0]=3 3493 B13R1.337 CC(=O)NCCOc1ccncc1 11a_100025717301_100015343762 [0,0,0,0,0,2|1,0,1]=4 3494 B13R1.337 CC(=O)NCCOc1ccncc1 240690a_100025717301_100015343762 [0,0,0,0,0,2|1,0,1]=4 3495 B13R1.337 CC(=O)NCCOc1ccncc1 527a_100025717301_100103153847 [0,0,0,0,0,2|1,0,1]=4 3496 B13R1.337 CC(=O)NCCOc1cncnc1 7a_100000754086_100000189650 [0,0,0,0,0,2|0,0,1]=3 3497 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,0,0,0,0,2|2,0,0]=4 3498 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,0,0,0,0,2|2,0,0]=4 3499 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,0,0,0,0,2|2,0,0]=4 3500 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,0,0,0,0,2|2,0,0]=4 3501 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100000189650_100011216584 [0,0,0,0,0,2|1,0,0]=3 3502 B13R1.337 CC(=O)NCCSc1ccccn1 62a_100011216584_100000189650 [0,0,0,0,0,2|1,0,0]=3 3503 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000189650_100000210063 [0,0,0,0,0,2|1,0,0]=3 3504 B13R1.337 CC(=O)NCCSc1cccnc1 62a_100000210063_100000189650 [0,0,0,0,0,2|1,0,0]=3 3505 B13R1.337 CC(=O)NCCSc1cccnn1 62a_100000189650_100016991348 [0,0,0,0,0,2|1,0,0]=3 3506 B13R1.337 CC(=O)NCCSc1cccnn1 62a_100016991348_100000189650 [0,0,0,0,0,2|1,0,0]=3 3507 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000189650_100000728582 [0,0,0,0,0,2|1,0,1]=4 3508 B13R1.337 CC(=O)NCCSc1ccncc1 62a_100000728582_100000189650 [0,0,0,0,0,2|1,0,1]=4 3509 B13R1.337 CC(=O)NCCSc1ccncn1 62a_100000189650_100000703185 [0,0,0,0,0,2|0,0,1]=3 3510 B13R1.337 CC(=O)NCCSc1ccncn1 62a_100000703185_100000189650 [0,0,0,0,0,2|0,0,1]=3 3511 B13R1.337 CC(=O)NCCSc1ccnnc1 62a_100000189650_100000732662 [0,0,0,0,0,2|1,0,1]=4 3512 B13R1.337 CC(=O)NCCSc1ccnnc1 62a_100000732662_100000189650 [0,0,0,0,0,2|1,0,1]=4 3513 B13R1.337 CC(=O)NCCSc1cnccn1 62a_100000189650_100000211759 [0,0,0,0,0,2|0,0,1]=3 3514 B13R1.337 CC(=O)NCCSc1cnccn1 62a_100000211759_100000189650 [0,0,0,0,0,2|0,0,1]=3 3515 B13R1.337 CC(=O)NCCSc1cncnc1 62a_100000189650_100011206942 [0,0,0,0,0,2|0,0,1]=3 3516 B13R1.337 CC(=O)NCCSc1cncnc1 62a_100011206942_100000189650 [0,0,0,0,0,2|0,0,1]=3 3517 B13R1.337 CC(=O)NCCSc1cnnnc1 62a_100000189650_100009846058 [0,0,0,0,0,2|1,0,1]=4 3518 B13R1.337 CC(=O)NCCSc1cnnnc1 62a_100009846058_100000189650 [0,0,0,0,0,2|1,0,1]=4 3519 B13R1.337 CC(=O)NCCSc1ncccn1 62a_100000189650_100000211032 [0,0,0,0,0,2|1,0,0]=3 3520 B13R1.337 CC(=O)NCCSc1ncccn1 62a_100000211032_100000189650 [0,0,0,0,0,2|1,0,0]=3 3521 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [0,0,0,0,0,2|2,0,0]=4 3522 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [0,0,0,0,0,2|2,0,0]=4 3523 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [0,0,0,0,0,2|2,0,0]=4 3524 B13R1.337 CC(=O)OCCOc1cncnc1 7a_100000754086_100009814007 [0,0,0,0,0,2|1,0,1]=4 3525 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [0,0,0,0,0,2|2,0,0]=4 3526 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [0,0,0,0,0,2|2,0,0]=4 3527 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [0,0,0,0,0,2|2,0,0]=4 3528 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [0,0,0,0,0,2|2,0,0]=4 3529 B13R1.337 CC(=O)OCCSc1cccnn1 62a_100009814007_100016991348 [0,0,0,0,0,2|2,0,0]=4 3530 B13R1.337 CC(=O)OCCSc1cccnn1 62a_100016991348_100009814007 [0,0,0,0,0,2|2,0,0]=4 3531 B13R1.337 CC(=O)OCCSc1ccncn1 62a_100000703185_100009814007 [0,0,0,0,0,2|1,0,1]=4 3532 B13R1.337 CC(=O)OCCSc1ccncn1 62a_100009814007_100000703185 [0,0,0,0,0,2|1,0,1]=4 3533 B13R1.337 CC(=O)OCCSc1cnccn1 62a_100000211759_100009814007 [0,0,0,0,0,2|1,0,1]=4 3534 B13R1.337 CC(=O)OCCSc1cnccn1 62a_100009814007_100000211759 [0,0,0,0,0,2|1,0,1]=4 3535 B13R1.337 CC(=O)OCCSc1cncnc1 62a_100009814007_100011206942 [0,0,0,0,0,2|1,0,1]=4 3536 B13R1.337 CC(=O)OCCSc1cncnc1 62a_100011206942_100009814007 [0,0,0,0,0,2|1,0,1]=4 3537 B13R1.337 CC(=O)OCCSc1ncccn1 62a_100000211032_100009814007 [0,0,0,0,0,2|2,0,0]=4 3538 B13R1.337 CC(=O)OCCSc1ncccn1 62a_100009814007_100000211032 [0,0,0,0,0,2|2,0,0]=4 3539 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [0,0,0,0,0,2|2,0,0]=4 3540 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [0,0,0,0,0,2|2,0,0]=4 3541 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [0,0,0,0,0,2|2,0,0]=4 3542 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [0,0,0,0,0,2|2,0,0]=4 3543 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100000076356_100016990269 [0,0,0,0,0,2|2,0,0]=4 3544 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100016990269_100000076356 [0,0,0,0,0,2|2,0,0]=4 3545 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100000076356_100016995436 [0,0,0,0,0,2|1,0,1]=4 3546 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100016995436_100000076356 [0,0,0,0,0,2|1,0,1]=4 3547 B13R1.337 CC(=O)OCSCc1cncnc1 62a_100000076356_100015196519 [0,0,0,0,0,2|1,0,1]=4 3548 B13R1.337 CC(=O)OCSCc1cncnc1 62a_100015196519_100000076356 [0,0,0,0,0,2|1,0,1]=4 3549 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000076356_100000703007 [0,0,0,0,0,2|2,0,0]=4 3550 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000703007_100000076356 [0,0,0,0,0,2|2,0,0]=4 3551 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,0,0,0,0,2|2,0,0]=4 3552 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,0,0,0,0,2|2,0,0]=4 3553 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,0,0,0,0,2|2,0,0]=4 3554 B13R1.337 NC(=O)NCCNc1cccnn1 27a_100020590234_100016991348 [0,0,0,0,0,2|2,0,0]=4 3555 B13R1.337 NC(=O)NCCNc1ccncn1 27a_100020590234_100000703185 [0,0,0,0,0,2|1,0,1]=4 3556 B13R1.337 NC(=O)NCCNc1cnccn1 27a_100020590234_100000211759 [0,0,0,0,0,2|1,0,1]=4 3557 B13R1.337 NC(=O)NCCNc1ncccn1 27a_100020590234_100000211032 [0,0,0,0,0,2|2,0,0]=4 3558 B13R1.337 NC(=O)NCCOc1cccnc1 7a_100000210849_200000034859 [0,0,0,0,0,2|2,0,0]=4 3559 B13R1.337 NC(=O)NCCOc1cncnc1 7a_100000754086_200000034859 [0,0,0,0,0,2|1,0,1]=4 3560 B13R1.337 NC(=O)NCCSc1ccccn1 62a_100011216584_200000034859 [0,0,0,0,0,2|2,0,0]=4 3561 B13R1.337 NC(=O)NCCSc1ccccn1 62a_200000034859_100011216584 [0,0,0,0,0,2|2,0,0]=4 3562 B13R1.337 NC(=O)NCCSc1cccnc1 62a_100000210063_200000034859 [0,0,0,0,0,2|2,0,0]=4 3563 B13R1.337 NC(=O)NCCSc1cccnc1 62a_200000034859_100000210063 [0,0,0,0,0,2|2,0,0]=4 3564 B13R1.337 NC(=O)NCCSc1cccnn1 62a_100016991348_200000034859 [0,0,0,0,0,2|2,0,0]=4 3565 B13R1.337 NC(=O)NCCSc1cccnn1 62a_200000034859_100016991348 [0,0,0,0,0,2|2,0,0]=4 3566 B13R1.337 NC(=O)NCCSc1ccncn1 62a_100000703185_200000034859 [0,0,0,0,0,2|1,0,1]=4 3567 B13R1.337 NC(=O)NCCSc1ccncn1 62a_200000034859_100000703185 [0,0,0,0,0,2|1,0,1]=4 3568 B13R1.337 NC(=O)NCCSc1cnccn1 62a_100000211759_200000034859 [0,0,0,0,0,2|1,0,1]=4 3569 B13R1.337 NC(=O)NCCSc1cnccn1 62a_200000034859_100000211759 [0,0,0,0,0,2|1,0,1]=4 3570 B13R1.337 NC(=O)NCCSc1cncnc1 62a_100011206942_200000034859 [0,0,0,0,0,2|1,0,1]=4 3571 B13R1.337 NC(=O)NCCSc1cncnc1 62a_200000034859_100011206942 [0,0,0,0,0,2|1,0,1]=4 3572 B13R1.337 NC(=O)NCCSc1ncccn1 62a_100000211032_200000034859 [0,0,0,0,0,2|2,0,0]=4 3573 B13R1.337 NC(=O)NCCSc1ncccn1 62a_200000034859_100000211032 [0,0,0,0,0,2|2,0,0]=4 3574 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,0,0,0,0,2|2,0,0]=4 3575 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,0,0,0,0,2|2,0,0]=4 3576 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,0,0,0,0,2|2,0,0]=4 3577 B13R1.343 C=C(C)CCSCCc1c[nH]cn1 62a_100000730704_100020628418 [0,0,0,0,0,2|2,0,0]=4 3578 B13R1.343 C=C(C)CCSCCc1c[nH]cn1 62a_100020628418_100000730704 [0,0,0,0,0,2|2,0,0]=4 3579 B13R1.343 CC(=CCCSCc1c[nH]cn1)C 62a_100000707719_100011217483 [0,0,0,0,0,2|2,0,0]=4 3580 B13R1.343 CC(=CCCSCc1c[nH]cn1)C 62a_100011217483_100000707719 [0,0,0,0,0,2|2,0,0]=4 3581 B13R1.343 CC(=CCSCCc1c[nH]cn1)C 62a_100000761012_100020628418 [0,0,0,0,0,2|2,0,0]=4 3582 B13R1.343 CC(=CCSCCc1c[nH]cn1)C 62a_100020628418_100000761012 [0,0,0,0,0,2|2,0,0]=4 3583 B13R1.343 CC(=O)CCCCSc1c[nH]cn1 62a_100000735457_100000756875 [0,0,0,0,0,2|1,0,0]=3 3584 B13R1.343 CC(=O)CCCCSc1c[nH]cn1 62a_100000756875_100000735457 [0,0,0,0,0,2|1,0,0]=3 3585 B13R1.343 CC(=O)CCCCSc1c[nH]nn1 62a_100000735457_100009819707 [0,0,0,0,0,2|2,0,0]=4 3586 B13R1.343 CC(=O)CCCCSc1c[nH]nn1 62a_100009819707_100000735457 [0,0,0,0,0,2|2,0,0]=4 3587 B13R1.343 CC(=O)CCCCSc1cscn1 62a_100000735457_100000751502 [0,0,0,0,0,2|2,0,0]=4 3588 B13R1.343 CC(=O)CCCCSc1cscn1 62a_100000751502_100000735457 [0,0,0,0,0,2|2,0,0]=4 3589 B13R1.343 CC(=O)CCCCSc1nc[nH]n1 62a_100000735457_100000761765 [0,0,0,0,0,2|2,0,0]=4 3590 B13R1.343 CC(=O)CCCCSc1nc[nH]n1 62a_100000761765_100000735457 [0,0,0,0,0,2|2,0,0]=4 3591 B13R1.343 CC(=O)CCCOCc1c[nH]cn1 34a_100000759063_100000707719 [0,0,0,0,0,2|1,0,0]=3 3592 B13R1.343 CC(=O)CCCOCc1cscn1 34a_100000759063_100000205941 [0,0,0,0,0,2|2,0,0]=4 3593 B13R1.343 CC(=O)CCCOCc1cscn1 7a_100000759063_100000205941 [0,0,0,0,0,2|2,0,0]=4 3594 B13R1.343 CC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100011215641 [0,0,0,0,0,2|1,0,0]=3 3595 B13R1.343 CC(=O)CCCSCc1c[nH]cn1 62a_100011215641_100000707719 [0,0,0,0,0,2|1,0,0]=3 3596 B13R1.343 CC(=O)CCCSCc1cscn1 62a_100000205941_100011215641 [0,0,0,0,0,2|2,0,0]=4 3597 B13R1.343 CC(=O)CCCSCc1cscn1 62a_100011215641_100000205941 [0,0,0,0,0,2|2,0,0]=4 3598 B13R1.343 CC(=O)CCOCCc1c[nH]cn1 7a_100000759926_100020628418 [0,0,0,0,0,2|1,0,0]=3 3599 B13R1.343 CC(=O)CCSCCc1c[nH]cn1 62a_100000053229_100020628418 [0,0,0,0,0,2|1,0,0]=3 3600 B13R1.343 CC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000053229 [0,0,0,0,0,2|1,0,0]=3 3601 B13R1.343 CC(=O)NCCCNc1ncns1 27a_100000736810_100000693119 [0,0,0,0,0,2|1,0,1]=4 3602 B13R1.343 CC(=O)NCCNCc1c[nH]cn1 2230a_100000209853_100000707719 [0,0,0,0,0,2|0,0,0]=2 3603 B13R1.343 CC(=O)NCCNCc1cc[nH]n1 207a_100000209853_100000738523 [0,0,0,0,0,2|2,0,0]=4 3604 B13R1.343 CC(=O)NCCNCc1ccco1 207a_100000209853_100000186105 [0,0,0,0,0,2|2,0,0]=4 3605 B13R1.343 CC(=O)NCCNCc1ccco1 2230a_100000185738_100000189650 [0,0,0,0,0,2|2,0,0]=4 3606 B13R1.343 CC(=O)NCCNCc1cccs1 207a_100000209853_100000209959 [0,0,0,0,0,2|2,0,0]=4 3607 B13R1.343 CC(=O)NCCNCc1cccs1 2230a_100000211653_100000189650 [0,0,0,0,0,2|2,0,0]=4 3608 B13R1.343 CC(=O)NCCNCc1ccoc1 207a_100000209853_100011215517 [0,0,0,0,0,2|2,0,0]=4 3609 B13R1.343 CC(=O)NCCNCc1ccoc1 2230a_100015206860_100000189650 [0,0,0,0,0,2|2,0,0]=4 3610 B13R1.343 CC(=O)NCCNCc1ccon1 2230a_100000209853_100000234950 [0,0,0,0,0,2|2,0,0]=4 3611 B13R1.343 CC(=O)NCCNCc1ccsc1 207a_100000209853_100000188534 [0,0,0,0,0,2|2,0,0]=4 3612 B13R1.343 CC(=O)NCCNCc1ccsc1 2230a_100000186416_100000189650 [0,0,0,0,0,2|2,0,0]=4 3613 B13R1.343 CC(=O)NCCNCc1ccsc1 2230a_100000209853_100011261437 [0,0,0,0,0,2|2,0,0]=4 3614 B13R1.343 CC(=O)NCCNCc1cn[nH]c1 207a_100000209853_100016992096 [0,0,0,0,0,2|2,0,0]=4 3615 B13R1.343 CC(=O)NCCNCc1cnc[nH]1 207a_100000209853_100000742939 [0,0,0,0,0,2|0,0,2]=4 3616 B13R1.343 CC(=O)NCCNCc1cncs1 207a_100000209853_100000749870 [0,0,0,0,0,2|1,0,1]=4 3617 B13R1.343 CC(=O)NCCNCc1cncs1 2230a_100000209853_100015185245 [0,0,0,0,0,2|1,0,1]=4 3618 B13R1.343 CC(=O)NCCNCc1cncs1 2230a_100016987365_100000189650 [0,0,0,0,0,2|1,0,1]=4 3619 B13R1.343 CC(=O)NCCNCc1cscn1 207a_100000209853_100000743575 [0,0,0,0,0,2|1,0,0]=3 3620 B13R1.343 CC(=O)NCCNCc1cscn1 2230a_100000209853_100000205941 [0,0,0,0,0,2|1,0,0]=3 3621 B13R1.343 CC(=O)NCCNCc1cscn1 2230a_100015185402_100000189650 [0,0,0,0,0,2|1,0,0]=3 3622 B13R1.343 CC(=O)NCCNCc1ncc[nH]1 207a_100000209853_100000743867 [0,0,0,0,0,2|2,0,0]=4 3623 B13R1.343 CC(=O)NCCNCc1ncc[nH]1 2230a_100000209853_100016991755 [0,0,0,0,0,2|2,0,0]=4 3624 B13R1.343 CC(=O)NCCNCc1ncco1 2230a_100000209853_103436540062 [0,0,0,0,0,2|2,0,0]=4 3625 B13R1.343 CC(=O)NCCNCc1ncco1 2230a_100016994969_100000189650 [0,0,0,0,0,2|2,0,0]=4 3626 B13R1.343 CC(=O)NCCNCc1nccs1 207a_100000209853_100000750902 [0,0,0,0,0,2|2,0,0]=4 3627 B13R1.343 CC(=O)NCCNCc1nccs1 2230a_100000209853_100015184050 [0,0,0,0,0,2|2,0,0]=4 3628 B13R1.343 CC(=O)NCCNCc1nccs1 2230a_100000740555_100000189650 [0,0,0,0,0,2|2,0,0]=4 3629 B13R1.343 CC(=O)NCCNCn1cncn1 2230a_100000209853_200020645497 [0,0,0,0,0,2|1,0,1]=4 3630 B13R1.343 CC(=O)NCCOCc1c[nH]cn1 34a_100000158858_100000707719 [0,0,0,0,0,2|0,0,0]=2 3631 B13R1.343 CC(=O)NCCOCc1ccon1 34a_100000158858_100000234950 [0,0,0,0,0,2|2,0,0]=4 3632 B13R1.343 CC(=O)NCCOCc1ccsc1 34a_100000158858_100011261437 [0,0,0,0,0,2|2,0,0]=4 3633 B13R1.343 CC(=O)NCCOCc1cncs1 34a_100000158858_100015185245 [0,0,0,0,0,2|1,0,1]=4 3634 B13R1.343 CC(=O)NCCOCc1cscn1 34a_100000158858_100000205941 [0,0,0,0,0,2|1,0,0]=3 3635 B13R1.343 CC(=O)NCCOCc1ncc[nH]1 34a_100000158858_100016991755 [0,0,0,0,0,2|2,0,0]=4 3636 B13R1.343 CC(=O)NCCOCc1ncco1 34a_100000158858_103436540062 [0,0,0,0,0,2|2,0,0]=4 3637 B13R1.343 CC(=O)NCCOCc1nccs1 34a_100000158858_100015184050 [0,0,0,0,0,2|2,0,0]=4 3638 B13R1.343 CC(=O)NCCOCc1ncon1 34a_100000158858_100000233494 [0,0,0,0,0,2|2,0,0]=4 3639 B13R1.343 CC(=O)NCCOCn1cncn1 34a_100000158858_200020645497 [0,0,0,0,0,2|1,0,1]=4 3640 B13R1.343 CC(=O)NCCSCc1c[nH]cn1 62a_100000189650_100000707719 [0,0,0,0,0,2|0,0,0]=2 3641 B13R1.343 CC(=O)NCCSCc1c[nH]cn1 62a_100000707719_100000189650 [0,0,0,0,0,2|0,0,0]=2 3642 B13R1.343 CC(=O)NCCSCc1ccco1 11a_100000184675_100015343762 [0,0,0,0,0,2|2,0,0]=4 3643 B13R1.343 CC(=O)NCCSCc1ccco1 240690a_100000184675_100015343762 [0,0,0,0,0,2|2,0,0]=4 3644 B13R1.343 CC(=O)NCCSCc1ccco1 527a_100000184675_100103153847 [0,0,0,0,0,2|2,0,0]=4 3645 B13R1.343 CC(=O)NCCSCc1ccon1 62a_100000189650_100000234950 [0,0,0,0,0,2|2,0,0]=4 3646 B13R1.343 CC(=O)NCCSCc1ccon1 62a_100000234950_100000189650 [0,0,0,0,0,2|2,0,0]=4 3647 B13R1.343 CC(=O)NCCSCc1ccsc1 62a_100000189650_100011233845 [0,0,0,0,0,2|2,0,0]=4 3648 B13R1.343 CC(=O)NCCSCc1ccsc1 62a_100011261437_100000189650 [0,0,0,0,0,2|2,0,0]=4 3649 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100000189650_100015185245 [0,0,0,0,0,2|1,0,1]=4 3650 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100015185245_100000189650 [0,0,0,0,0,2|1,0,1]=4 3651 B13R1.343 CC(=O)NCCSCc1cscn1 62a_100000189650_100000205941 [0,0,0,0,0,2|1,0,0]=3 3652 B13R1.343 CC(=O)NCCSCc1cscn1 62a_100000205941_100000189650 [0,0,0,0,0,2|1,0,0]=3 3653 B13R1.343 CC(=O)NCCSCc1ncc[nH]1 62a_100000189650_100016991755 [0,0,0,0,0,2|2,0,0]=4 3654 B13R1.343 CC(=O)NCCSCc1ncc[nH]1 62a_100016991755_100000189650 [0,0,0,0,0,2|2,0,0]=4 3655 B13R1.343 CC(=O)NCCSCc1ncco1 62a_100000189650_103436540062 [0,0,0,0,0,2|2,0,0]=4 3656 B13R1.343 CC(=O)NCCSCc1ncco1 62a_103436540062_100000189650 [0,0,0,0,0,2|2,0,0]=4 3657 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100000189650_100015184050 [0,0,0,0,0,2|2,0,0]=4 3658 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100015184050_100000189650 [0,0,0,0,0,2|2,0,0]=4 3659 B13R1.343 CC(=O)NCCSCc1ncon1 62a_100000189650_100000233494 [0,0,0,0,0,2|2,0,0]=4 3660 B13R1.343 CC(=O)NCCSCc1ncon1 62a_100000233494_100000189650 [0,0,0,0,0,2|2,0,0]=4 3661 B13R1.343 CC(=O)NCCSCn1cncn1 62a_100000189650_200020645497 [0,0,0,0,0,2|1,0,1]=4 3662 B13R1.343 CC(=O)NCCSCn1cncn1 62a_200020645497_100000189650 [0,0,0,0,0,2|1,0,1]=4 3663 B13R1.343 CC(=O)OCCCSc1c[nH]cn1 62a_100000042594_100000756875 [0,0,0,0,0,2|1,0,0]=3 3664 B13R1.343 CC(=O)OCCCSc1c[nH]cn1 62a_100000756875_100000042594 [0,0,0,0,0,2|1,0,0]=3 3665 B13R1.343 CC(=O)OCCCSc1c[nH]nn1 62a_100000042594_100009819707 [0,0,0,0,0,2|2,0,0]=4 3666 B13R1.343 CC(=O)OCCCSc1c[nH]nn1 62a_100009819707_100000042594 [0,0,0,0,0,2|2,0,0]=4 3667 B13R1.343 CC(=O)OCCCSc1cscn1 62a_100000042594_100000751502 [0,0,0,0,0,2|2,0,0]=4 3668 B13R1.343 CC(=O)OCCCSc1cscn1 62a_100000751502_100000042594 [0,0,0,0,0,2|2,0,0]=4 3669 B13R1.343 CC(=O)OCCCSc1nc[nH]n1 62a_100000042594_100000761765 [0,0,0,0,0,2|2,0,0]=4 3670 B13R1.343 CC(=O)OCCCSc1nc[nH]n1 62a_100000761765_100000042594 [0,0,0,0,0,2|2,0,0]=4 3671 B13R1.343 CC(=O)OCCSCc1c[nH]cn1 62a_100000707719_100009814007 [0,0,0,0,0,2|1,0,0]=3 3672 B13R1.343 CC(=O)OCCSCc1c[nH]cn1 62a_100009814007_100000707719 [0,0,0,0,0,2|1,0,0]=3 3673 B13R1.343 CC(=O)OCCSCc1cscn1 62a_100000205941_100009814007 [0,0,0,0,0,2|2,0,0]=4 3674 B13R1.343 CC(=O)OCCSCc1cscn1 62a_100009814007_100000205941 [0,0,0,0,0,2|2,0,0]=4 3675 B13R1.343 CC(=O)OCNCCc1ccco1 34a_100000694680_100009813279 [0,0,0,0,0,2|2,0,0]=4 3676 B13R1.343 CC(=O)OCNCCc1cccs1 34a_100000203755_100009813279 [0,0,0,0,0,2|2,0,0]=4 3677 B13R1.343 CC(=O)OCNCCc1ccsc1 34a_100000692642_100009813279 [0,0,0,0,0,2|2,0,0]=4 3678 B13R1.343 CC(=O)OCSCCc1c[nH]cn1 62a_100000076356_100020628418 [0,0,0,0,0,2|1,0,0]=3 3679 B13R1.343 CC(=O)OCSCCc1c[nH]cn1 62a_100020628418_100000076356 [0,0,0,0,0,2|1,0,0]=3 3680 B13R1.343 CC(=O)SCCCSc1c[nH]cn1 62a_100000038929_100000756875 [0,0,0,0,0,2|1,0,0]=3 3681 B13R1.343 CC(=O)SCCCSc1c[nH]cn1 62a_100000756875_100000038929 [0,0,0,0,0,2|1,0,0]=3 3682 B13R1.343 CC(=O)SCCCSc1c[nH]nn1 62a_100000038929_100009819707 [0,0,0,0,0,2|2,0,0]=4 3683 B13R1.343 CC(=O)SCCCSc1c[nH]nn1 62a_100009819707_100000038929 [0,0,0,0,0,2|2,0,0]=4 3684 B13R1.343 CC(=O)SCCCSc1cscn1 62a_100000038929_100000751502 [0,0,0,0,0,2|2,0,0]=4 3685 B13R1.343 CC(=O)SCCCSc1cscn1 62a_100000751502_100000038929 [0,0,0,0,0,2|2,0,0]=4 3686 B13R1.343 CC(=O)SCCCSc1nc[nH]n1 62a_100000038929_100000761765 [0,0,0,0,0,2|2,0,0]=4 3687 B13R1.343 CC(=O)SCCCSc1nc[nH]n1 62a_100000761765_100000038929 [0,0,0,0,0,2|2,0,0]=4 3688 B13R1.343 CC(=S)OCCCSc1c[nH]cn1 62a_100000756875_200135323944 [0,0,0,0,0,2|1,1,0]=4 3689 B13R1.343 CC(=S)OCCCSc1c[nH]cn1 62a_200135323944_100000756875 [0,0,0,0,0,2|1,1,0]=4 3690 B13R1.343 CC(C)NCCOCc1c[nH]cn1 34a_100000224655_100000707719 [0,0,0,0,0,2|1,0,1]=4 3691 B13R1.343 CC(O)CCNCCc1c[nH]cn1 2230a_200000755665_100020628418 [0,0,0,0,0,2|0,0,2]=4 3692 B13R1.343 CS(=O)CCCNCc1c[nH]cn1 2230a_200000753449_100000707719 [0,0,0,0,0,2|2,0,0]=4 3693 B13R1.343 NC(=O)CCCNCc1c[nH]cn1 34a_100000739312_100000707719 [0,0,0,0,0,2|2,0,0]=4 3694 B13R1.343 NC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100102525003 [0,0,0,0,0,2|2,0,0]=4 3695 B13R1.343 NC(=O)CCCSCc1c[nH]cn1 62a_100102525003_100000707719 [0,0,0,0,0,2|2,0,0]=4 3696 B13R1.343 NC(=O)CCOCCc1c[nH]cn1 7a_100000757172_100020628418 [0,0,0,0,0,2|2,0,0]=4 3697 B13R1.343 NC(=O)CCSCCc1c[nH]cn1 62a_100000744528_100020628418 [0,0,0,0,0,2|2,0,0]=4 3698 B13R1.343 NC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000744528 [0,0,0,0,0,2|2,0,0]=4 3699 B13R1.343 NC(=O)COCCSc1c[nH]cn1 62a_100000076697_100000756875 [0,0,0,0,0,2|2,0,0]=4 3700 B13R1.343 NC(=O)COCCSc1c[nH]cn1 62a_100000756875_100000076697 [0,0,0,0,0,2|2,0,0]=4 3701 B13R1.343 NC(=O)NCCNCc1c[nH]cn1 34a_100020590234_100000707719 [0,0,0,0,0,2|1,0,0]=3 3702 B13R1.343 NC(=O)NCCNCc1cscn1 207a_100020590234_100000743575 [0,0,0,0,0,2|2,0,0]=4 3703 B13R1.343 NC(=O)NCCNCc1cscn1 2230a_100015185402_200000034859 [0,0,0,0,0,2|2,0,0]=4 3704 B13R1.343 NC(=O)NCCNCc1cscn1 34a_100020590234_100000205941 [0,0,0,0,0,2|2,0,0]=4 3705 B13R1.343 NC(=O)NCCOCc1c[nH]cn1 34a_100000181757_100000707719 [0,0,0,0,0,2|1,0,0]=3 3706 B13R1.343 NC(=O)NCCOCc1cscn1 34a_100000181757_100000205941 [0,0,0,0,0,2|2,0,0]=4 3707 B13R1.343 NC(=O)NCCSCc1c[nH]cn1 62a_100000707719_200000034859 [0,0,0,0,0,2|1,0,0]=3 3708 B13R1.343 NC(=O)NCCSCc1c[nH]cn1 62a_200000034859_100000707719 [0,0,0,0,0,2|1,0,0]=3 3709 B13R1.343 NC(=O)NCCSCc1cscn1 62a_100000205941_200000034859 [0,0,0,0,0,2|2,0,0]=4 3710 B13R1.343 NC(=O)NCCSCc1cscn1 62a_200000034859_100000205941 [0,0,0,0,0,2|2,0,0]=4 3711 B13R1.343 NC(=O)OCCSCc1c[nH]cn1 62a_100000707719_200011214921 [0,0,0,0,0,2|2,0,0]=4 3712 B13R1.343 NC(=O)OCCSCc1c[nH]cn1 62a_200011214921_100000707719 [0,0,0,0,0,2|2,0,0]=4 3713 B13R1.343 O=C(O)CONCCc1c[nH]cn1 269956a_100000106656_100020628418 [0,0,0,0,0,2|1,0,0]=3