0 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.172 C=C(C)CCSc1cncs1 62a_100000730704_100011934649 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.172 C=C(C)CCSc1cncs1 62a_100011934649_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.172 C=C(C)CCSc1nccs1 62a_100000211983_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.172 C=C(C)CCSc1nccs1 62a_100000730704_100000211983 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.172 C=C(C)CNCc1cncs1 2230a_100016987365_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.172 C=C(C)CNCc1nccs1 2230a_100000740555_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,0|3,1,0]=4 14 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.172 C=C(C)COCc1nccs1 34a_100000210245_100015184050 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.172 C=C(C)CSCc1cncs1 62a_100000748629_100015185245 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.172 C=C(C)CSCc1cncs1 62a_100015185245_100000211660 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.172 C=C(C)CSCc1nccs1 62a_100000748629_100015184050 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.172 C=C(C)CSCc1nccs1 62a_100015184050_100000211660 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,0,0,0,0,0|3,1,0]=4 22 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,0,0,0,0,0|3,1,0]=4 23 B11R1.172 C=C(F)CNCc1cccs1 2230a_100000211653_100009893438 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.172 C=C(F)CNCc1cncs1 2230a_100016987365_100009893438 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.172 C=C(F)CNCc1nccs1 2230a_100000740555_100009893438 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.172 C=C(F)COCc1cncs1 34a_200010262243_100015185245 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.172 C=C(F)COCc1nccs1 34a_200010262243_100015184050 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.172 C=C(F)CSCc1cncs1 62a_100000042424_100015185245 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.172 C=C(F)CSCc1cncs1 62a_100015185245_100000042424 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.172 C=C(F)CSCc1nccs1 62a_100000042424_100015184050 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.172 C=C(F)CSCc1nccs1 62a_100015184050_100000042424 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.172 CC(=O)CCCN1CC=CC1 269982a_100015195280_100011215641 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,0|2,1,0]=3 53 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,0|2,1,0]=3 54 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,0|3,1,0]=4 65 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,0|3,1,0]=4 66 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,0|3,1,0]=4 73 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,0|3,1,0]=4 74 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.172 CC(=O)CCSc1ncns1 62a_100000053229_100000693119 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.172 CC(=O)CCSc1ncns1 62a_100000693119_100000053229 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.172 CC(=O)CCSc1nncs1 62a_100000053229_100000739804 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.172 CC(=O)CCSc1nncs1 62a_100000739804_100000053229 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,0|3,1,0]=4 88 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,0|2,1,0]=3 92 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,0|2,1,0]=3 93 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,0|2,1,0]=3 94 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,0|2,1,0]=3 95 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,0|4,0,0]=4 117 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,0|4,0,0]=4 118 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,0|3,1,0]=4 122 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,0|3,1,0]=4 123 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,0,0,0,0,0|3,0,1]=4 134 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,0,0,0,0,0|3,0,1]=4 138 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,0,0,0,0,0|3,0,1]=4 139 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,0,0,0,0,0|3,0,1]=4 140 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,0,0,0,0,0|3,0,1]=4 144 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,0|2,1,1]=4 146 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,0|2,1,1]=4 147 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,0,0,0,0,0|2,0,1]=3 148 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,0,0,0,0,0|2,0,1]=3 149 B11R1.172 CC(O)CCSc1cncs1 62a_100011934649_100012276601 [0,0,0,0,0,0|3,0,1]=4 150 B11R1.172 CC(O)CCSc1cncs1 62a_100012276601_100011934649 [0,0,0,0,0,0|3,0,1]=4 151 B11R1.172 CC(O)CCSc1nccs1 62a_100000211983_100012276601 [0,0,0,0,0,0|3,0,1]=4 152 B11R1.172 CC(O)CCSc1nccs1 62a_100012276601_100000211983 [0,0,0,0,0,0|3,0,1]=4 153 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,0|2,1,1]=4 154 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,0|2,1,1]=4 155 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,0|2,1,1]=4 156 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,0|2,1,1]=4 157 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,0,0,0,0,0|2,0,1]=3 158 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,0,0,0,0,0|2,0,1]=3 159 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,0,0,0,0,0|2,0,1]=3 160 B11R1.172 CC(O)CNCc1cncs1 207a_100000210904_100000749870 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.172 CC(O)CNCc1cncs1 2230a_100000210904_100015185245 [0,0,0,0,0,0|3,0,1]=4 162 B11R1.172 CC(O)CNCc1cncs1 2230a_100016987365_100011218427 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.172 CC(O)CNCc1cncs1 270004a_100000210904_100000749870 [0,0,0,0,0,0|3,0,1]=4 164 B11R1.172 CC(O)CNCc1cncs1 34a_100000210904_100015185245 [0,0,0,0,0,0|3,0,1]=4 165 B11R1.172 CC(O)CNCc1nccs1 207a_100000210904_100000750902 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.172 CC(O)CNCc1nccs1 2230a_100000210904_100015184050 [0,0,0,0,0,0|3,0,1]=4 167 B11R1.172 CC(O)CNCc1nccs1 2230a_100000740555_100011218427 [0,0,0,0,0,0|3,0,1]=4 168 B11R1.172 CC(O)CNCc1nccs1 270004a_100000210904_100000750902 [0,0,0,0,0,0|3,0,1]=4 169 B11R1.172 CC(O)CNCc1nccs1 34a_100000210904_100015184050 [0,0,0,0,0,0|3,0,1]=4 170 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,0|2,1,1]=4 171 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,0,0,0,0|2,0,1]=3 172 B11R1.172 CC(O)CSCc1cncs1 62a_100011218427_100015185245 [0,0,0,0,0,0|3,0,1]=4 173 B11R1.172 CC(O)CSCc1cncs1 62a_100015185245_100011218427 [0,0,0,0,0,0|3,0,1]=4 174 B11R1.172 CC(O)CSCc1nccs1 62a_100011218427_100015184050 [0,0,0,0,0,0|3,0,1]=4 175 B11R1.172 CC(O)CSCc1nccs1 62a_100015184050_100011218427 [0,0,0,0,0,0|3,0,1]=4 176 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.172 CN(C)CCSc1cccs1 62a_100011215356_100000755713 [0,0,0,0,0,0|4,0,0]=4 179 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,0|2,1,1]=4 180 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,0|2,1,1]=4 181 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,0,0,0,0,0|2,0,1]=3 182 B11R1.172 C[C@@H](O)CNCc1cncs1 2230a_100016987365_100009817552 [0,0,0,0,0,0|3,0,1]=4 183 B11R1.172 C[C@@H](O)CNCc1nccs1 2230a_100000740555_100009817552 [0,0,0,0,0,0|3,0,1]=4 184 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,0|2,1,1]=4 185 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,0,0,0,0|2,0,1]=3 186 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100009817552_100015185245 [0,0,0,0,0,0|3,0,1]=4 187 B11R1.172 C[C@@H](O)CSCc1cncs1 62a_100015185245_100009817552 [0,0,0,0,0,0|3,0,1]=4 188 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100009817552_100015184050 [0,0,0,0,0,0|3,0,1]=4 189 B11R1.172 C[C@@H](O)CSCc1nccs1 62a_100015184050_100009817552 [0,0,0,0,0,0|3,0,1]=4 190 B11R1.172 FC(F)CNCc1cccs1 207a_100000765723_100000209959 [0,0,0,0,0,0|3,0,1]=4 191 B11R1.172 FC(F)CNCc1cccs1 2230a_100000211653_100011934356 [0,0,0,0,0,0|3,0,1]=4 192 B11R1.172 FC(F)CNCc1cccs1 270004a_100000765723_100000209959 [0,0,0,0,0,0|3,0,1]=4 193 B11R1.172 FC(F)COCc1cccs1 34a_100000211240_100011934356 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.172 NC(=O)CCCN1CC=CC1 269982a_100015195280_100102525003 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.172 NC(=O)CCNc1ncns1 27a_100000740010_100000693119 [0,0,0,0,0,0|4,0,0]=4 196 B11R1.172 NC(=O)CCNc1nncs1 27a_100000740010_100000739804 [0,0,0,0,0,0|4,0,0]=4 197 B11R1.172 NC(=O)CCOc1ccsc1 34a_100000106738_100000731001 [0,0,0,0,0,0|4,0,0]=4 198 B11R1.172 NC(=O)CCOc1ccsc1 7a_100000106738_100000744528 [0,0,0,0,0,0|4,0,0]=4 199 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000744528_100000756875 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000756875_100000744528 [0,0,0,0,0,0|4,0,0]=4 201 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000062575_100000744528 [0,0,0,0,0,0|4,0,0]=4 202 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000744528_100000062575 [0,0,0,0,0,0|4,0,0]=4 203 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,0|2,1,0]=3 204 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,0|2,1,0]=3 205 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,0|2,0,0]=2 206 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,0|2,0,0]=2 207 B11R1.172 NC(=O)CCSc1ccoc1 62a_100000744528_100011215275 [0,0,0,0,0,0|4,0,0]=4 208 B11R1.172 NC(=O)CCSc1ccoc1 62a_100011215275_100000744528 [0,0,0,0,0,0|4,0,0]=4 209 B11R1.172 NC(=O)CCSc1ccon1 62a_100000744528_100009818083 [0,0,0,0,0,0|4,0,0]=4 210 B11R1.172 NC(=O)CCSc1ccon1 62a_100009818083_100000744528 [0,0,0,0,0,0|4,0,0]=4 211 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000738268_100000744528 [0,0,0,0,0,0|4,0,0]=4 212 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000744528_100000738268 [0,0,0,0,0,0|4,0,0]=4 213 B11R1.172 NC(=O)CCSc1ccsn1 62a_100000744528_100009818082 [0,0,0,0,0,0|4,0,0]=4 214 B11R1.172 NC(=O)CCSc1ccsn1 62a_100009818082_100000744528 [0,0,0,0,0,0|4,0,0]=4 215 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,0|3,1,0]=4 216 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,0|3,1,0]=4 217 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [0,0,0,0,0,0|3,0,0]=3 218 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [0,0,0,0,0,0|3,0,0]=3 219 B11R1.172 NC(=O)CCSc1cscn1 62a_100000744528_100000751502 [0,0,0,0,0,0|4,0,0]=4 220 B11R1.172 NC(=O)CCSc1cscn1 62a_100000751502_100000744528 [0,0,0,0,0,0|4,0,0]=4 221 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100000744528_100025796157 [0,0,0,0,0,0|4,0,0]=4 222 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100025796157_100000744528 [0,0,0,0,0,0|4,0,0]=4 223 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,0|3,1,0]=4 224 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,0|3,1,0]=4 225 B11R1.172 NC(=O)CCSc1nccs1 62a_100000211983_100000744528 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.172 NC(=O)CCSc1nccs1 62a_100000744528_100000211983 [0,0,0,0,0,0|3,0,0]=3 227 B11R1.172 NC(=O)CCSc1ncns1 62a_100000693119_100000744528 [0,0,0,0,0,0|4,0,0]=4 228 B11R1.172 NC(=O)CCSc1ncns1 62a_100000744528_100000693119 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.172 NC(=O)CCSc1nncs1 62a_100000739804_100000744528 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.172 NC(=O)CCSc1nncs1 62a_100000744528_100000739804 [0,0,0,0,0,0|4,0,0]=4 231 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,0|4,0,0]=4 232 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,0|2,1,0]=3 233 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,0|2,1,0]=3 234 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,0|2,0,0]=2 235 B11R1.172 NC(=O)CNCc1ccn[nH]1 2230a_100000711301_100000728653 [0,0,0,0,0,0|4,0,0]=4 236 B11R1.172 NC(=O)CNCc1ccoc1 2230a_100015206860_100000747473 [0,0,0,0,0,0|4,0,0]=4 237 B11R1.172 NC(=O)CNCc1ccoc1 34a_100015206860_100000187820 [0,0,0,0,0,0|4,0,0]=4 238 B11R1.172 NC(=O)CNCc1ccon1 2230a_100000711301_100000234950 [0,0,0,0,0,0|4,0,0]=4 239 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000186416_100000747473 [0,0,0,0,0,0|4,0,0]=4 240 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000711301_100011261437 [0,0,0,0,0,0|4,0,0]=4 241 B11R1.172 NC(=O)CNCc1ccsc1 34a_100000186416_100000187820 [0,0,0,0,0,0|4,0,0]=4 242 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [0,0,0,0,0,0|3,0,0]=3 244 B11R1.172 NC(=O)CNCc1cscn1 2230a_100000711301_100000205941 [0,0,0,0,0,0|4,0,0]=4 245 B11R1.172 NC(=O)CNCc1cscn1 2230a_100015185402_100000747473 [0,0,0,0,0,0|4,0,0]=4 246 B11R1.172 NC(=O)CNCc1ncc[nH]1 2230a_100000711301_100016991755 [0,0,0,0,0,0|4,0,0]=4 247 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,0|3,1,0]=4 248 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,0|3,1,0]=4 249 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000711301_100015184050 [0,0,0,0,0,0|3,0,0]=3 250 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000740555_100000747473 [0,0,0,0,0,0|3,0,0]=3 251 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,0|2,1,0]=3 252 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,0|2,0,0]=2 253 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,0,0,0,0,0|3,1,0]=4 254 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,0,0|4,0,0]=4 255 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,0,0|4,0,0]=4 256 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,0|3,1,0]=4 257 B11R1.172 NC(=O)COCn1cccn1 34a_100000731028_100000187820 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,0|4,0,0]=4 259 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,0|4,0,0]=4 260 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747473 [0,0,0,0,0,0|4,0,0]=4 261 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000747473_100000728653 [0,0,0,0,0,0|4,0,0]=4 262 B11R1.172 NC(=O)CSCc1ccon1 62a_100000234950_100000747473 [0,0,0,0,0,0|4,0,0]=4 263 B11R1.172 NC(=O)CSCc1ccon1 62a_100000747473_100000234950 [0,0,0,0,0,0|4,0,0]=4 264 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,0,0,0,0,0|4,0,0]=4 265 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,0,0,0,0,0|4,0,0]=4 266 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [0,0,0,0,0,0|3,0,0]=3 267 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [0,0,0,0,0,0|3,0,0]=3 268 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,0,0,0,0,0|4,0,0]=4 269 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,0,0,0,0,0|4,0,0]=4 270 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100000747473_100016991755 [0,0,0,0,0,0|4,0,0]=4 271 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747473 [0,0,0,0,0,0|4,0,0]=4 272 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,0|3,1,0]=4 273 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,0|3,1,0]=4 274 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [0,0,0,0,0,0|3,0,0]=3 275 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [0,0,0,0,0,0|3,0,0]=3 276 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,0|3,0,0]=3 277 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [0,0,0,0,0,0|3,0,0]=3 278 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [0,0,0,0,0,0|3,0,0]=3 279 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,0,0|3,0,0]=3 280 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [0,0,0,0,0,0|2,0,0]=2 281 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,0|3,0,0]=3 282 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [0,0,0,0,0,0|3,0,0]=3 283 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,0|2,1,0]=3 284 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [0,0,0,0,0,0|2,0,0]=2 285 B11R1.172 O=C(O)CNCc1ncon1 269956a_100016091260_100000233494 [0,0,0,0,0,0|4,0,0]=4 286 B11R1.172 O=C(O)CNCn1cncn1 269956a_100016091260_200020645497 [0,0,0,0,0,0|4,0,0]=4 287 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,0|1,1,1]=3 288 B11R1.172 O=C([O-])CNCc1ccoc1 34a_100015206860_100020667443 [0,0,0,0,0,0|3,0,1]=4 289 B11R1.172 O=C([O-])CNCc1ccsc1 34a_100000186416_100020667443 [0,0,0,0,0,0|3,0,1]=4 290 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,0|1,1,1]=3 291 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,0|1,0,1]=2 292 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,0,0,0,0,0|2,1,1]=4 293 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,0,0|3,0,1]=4 294 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,0,0|3,0,1]=4 295 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,0|2,1,1]=4 296 B11R1.172 O=C([O-])COCn1cccn1 34a_100000731028_100020667443 [0,0,0,0,0,0|3,0,1]=4 297 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,0|3,0,1]=4 298 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,0|3,0,1]=4 299 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100000728653_100020667443 [0,0,0,0,0,0|3,0,1]=4 300 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100020667443_100000728653 [0,0,0,0,0,0|3,0,1]=4 301 B11R1.172 O=C([O-])CSCc1ccon1 62a_100000234950_100020667443 [0,0,0,0,0,0|3,0,1]=4 302 B11R1.172 O=C([O-])CSCc1ccon1 62a_100020667443_100000234950 [0,0,0,0,0,0|3,0,1]=4 303 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,0,0,0,0,0|3,0,1]=4 304 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,0,0,0,0,0|3,0,1]=4 305 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [0,0,0,0,0,0|2,0,1]=3 306 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [0,0,0,0,0,0|2,0,1]=3 307 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,0,0,0,0,0|3,0,1]=4 308 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,0,0,0,0,0|3,0,1]=4 309 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100016991755_100020667443 [0,0,0,0,0,0|3,0,1]=4 310 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100020667443_100016991755 [0,0,0,0,0,0|3,0,1]=4 311 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,0|2,1,1]=4 312 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,0|2,1,1]=4 313 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [0,0,0,0,0,0|2,0,1]=3 314 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [0,0,0,0,0,0|2,0,1]=3 315 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,0,0,0,0,0|2,1,1]=4 316 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,0,0,0,0,0|2,1,1]=4 317 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [0,0,0,0,0,0|2,0,1]=3 318 B11R1.172 O=[N+]([O-])CSCc1cncs1 62a_100015185245_100000761209 [0,0,0,0,0,0|3,0,1]=4 319 B11R1.172 O=[N+]([O-])CSCc1nccs1 62a_100015184050_100000761209 [0,0,0,0,0,0|3,0,1]=4 320 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,0|1,0,0]=1 321 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,0|3,0,0]=3 322 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,0,0,0,0,0|4,0,0]=4 324 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,0,0,0,0,0|4,0,0]=4 325 B10R1.21 C#CCCSc1cccs1 62a_100000688953_100011215356 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.21 C#CCCSc1cccs1 62a_100011215356_100000688953 [1,0,0,0,0,0|2,0,1]=4 327 B10R1.21 C#CCNCc1cccs1 2230a_100000211653_100000038162 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.21 C#CCOCc1cccs1 34a_100000211240_100000184674 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [1,0,0,0,0,0|2,0,1]=4 330 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [1,0,0,0,0,0|2,0,1]=4 331 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,0,0,0,0,0|2,1,0]=4 332 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,0,0,0,0,0|2,1,0]=4 333 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [1,0,0,0,0,0|2,0,0]=3 334 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [1,0,0,0,0,0|2,0,0]=3 335 B10R1.21 C=CCCSc1cncs1 62a_100000754431_100011934649 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.21 C=CCCSc1cncs1 62a_100011934649_100000754431 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.21 C=CCCSc1nccs1 62a_100000211983_100000754431 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.21 C=CCCSc1nccs1 62a_100000754431_100000211983 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,0,0,0,0,0|2,1,0]=4 340 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,0,0,0,0,0|2,1,0]=4 341 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,0,0,0,0,0|2,1,0]=4 342 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [1,0,0,0,0,0|2,0,0]=3 343 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [1,0,0,0,0,0|2,0,0]=3 344 B10R1.21 C=CCNCc1cncs1 2230a_100016987365_100000210623 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.21 C=CCNCc1cncs1 2230a_100020586998_100015185245 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.21 C=CCNCc1cncs1 270004a_100020586998_100000749870 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.21 C=CCNCc1nccs1 2230a_100000740555_100000210623 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.21 C=CCNCc1nccs1 2230a_100020586998_100015184050 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.21 C=CCNCc1nccs1 270004a_100020586998_100000750902 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,0,0,0,0,0|2,1,0]=4 351 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.21 C=CCOCc1cncs1 34a_200000210373_100015185245 [1,0,0,0,0,0|3,0,0]=4 353 B10R1.21 C=CCOCc1nccs1 34a_200000210373_100015184050 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.21 C=CCSCc1cncs1 62a_100000210623_100015185245 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.21 C=CCSCc1cncs1 62a_100015185245_100000210623 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.21 C=CCSCc1nccs1 62a_100000210623_100015184050 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.21 C=CCSCc1nccs1 62a_100015184050_100000210623 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [1,0,0,0,0,0|2,0,1]=4 359 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [1,0,0,0,0,0|2,0,1]=4 360 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,0,0,0,0,0|2,0,1]=4 361 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,0,0,0,0,0|2,0,1]=4 362 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,0,0,0|2,0,1]=4 363 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,0,0,0|2,0,1]=4 364 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,0,0,0|2,0,1]=4 365 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,0,0,0|2,0,1]=4 366 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,0,0,0|2,0,1]=4 367 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,0,0,0|2,0,1]=4 368 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,0,0,0|2,0,1]=4 369 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,0,0,0,0|2,0,1]=4 370 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,0,0,0,0|2,0,1]=4 371 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,0,0,0,0|2,0,1]=4 372 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,0,0,0,0,0|2,0,1]=4 373 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,0,0,0,0,0|2,0,1]=4 374 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,0,0,0|2,0,0]=3 376 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,0,0,0|2,0,0]=3 377 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.21 FCCCSc1cccs1 62a_100011215356_100011934791 [1,0,0,0,0,0|2,0,1]=4 390 B10R1.21 FCCCSc1cccs1 62a_100011934791_100011215356 [1,0,0,0,0,0|2,0,1]=4 391 B10R1.21 FCCNCc1cccs1 2230a_100000211653_100011217306 [1,0,0,0,0,0|2,0,1]=4 392 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [1,0,0,0,0,0|2,0,1]=4 396 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [1,0,0,0,0,0|2,0,1]=4 398 B10R1.21 N#CCCSc1cccs1 62a_100011215226_100011215356 [1,0,0,0,0,0|2,0,1]=4 399 B10R1.21 N#CCCSc1cccs1 62a_100011215356_100011215226 [1,0,0,0,0,0|2,0,1]=4 400 B10R1.21 N#CCNCc1cccs1 2230a_100000211653_100011215382 [1,0,0,0,0,0|2,0,1]=4 401 B10R1.21 O=CCCCN1CC=CC1 269982a_100015195280_200011292268 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,0,0,0,0,0|1,1,0]=3 403 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,0,0,0,0,0|1,1,0]=3 404 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,0,0,0,0,0|1,0,0]=2 405 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [1,0,0,0,0,0|2,0,0]=3 410 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [1,0,0,0,0,0|2,1,0]=4 412 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [1,0,0,0,0,0|2,0,0]=3 413 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,0,0,0,0,0|1,1,0]=3 414 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,0,0,0,0,0|1,0,0]=2 415 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [1,0,0,0,0,0|2,1,0]=4 416 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [1,0,0,0,0,0|2,1,0]=4 419 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [1,0,0,0,0,0|3,0,0]=4 425 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [1,0,0,0,0,0|2,0,0]=3 429 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [1,0,0,0,0,0|2,0,0]=3 430 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,0,0,0,0,0|2,1,0]=4 435 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,0,0,0,0,0|2,1,0]=4 436 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,0,0,0,0,0|1,1,1]=4 439 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,0,0,0,0,0|1,1,1]=4 440 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [1,0,0,0,0,0|1,0,1]=3 441 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [1,0,0,0,0,0|1,0,1]=3 442 B10R1.21 OCCCSc1cncs1 62a_100011215043_100011934649 [1,0,0,0,0,0|2,0,1]=4 443 B10R1.21 OCCCSc1cncs1 62a_100011934649_100011215043 [1,0,0,0,0,0|2,0,1]=4 444 B10R1.21 OCCCSc1nccs1 62a_100000211983_100011215043 [1,0,0,0,0,0|2,0,1]=4 445 B10R1.21 OCCCSc1nccs1 62a_100011215043_100000211983 [1,0,0,0,0,0|2,0,1]=4 446 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,0,0,0,0,0|1,1,1]=4 447 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,0,0,0,0,0|1,1,1]=4 448 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,0,0,0,0,0|1,1,1]=4 449 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,0,0,0,0,0|1,1,1]=4 450 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [1,0,0,0,0,0|1,0,1]=3 451 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [1,0,0,0,0,0|1,0,1]=3 452 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [1,0,0,0,0,0|1,0,1]=3 453 B10R1.21 OCCNCc1cncs1 207a_100000210304_100000749870 [1,0,0,0,0,0|2,0,1]=4 454 B10R1.21 OCCNCc1cncs1 2230a_100016987365_100000211926 [1,0,0,0,0,0|2,0,1]=4 455 B10R1.21 OCCNCc1cncs1 2230a_100016997473_100015185245 [1,0,0,0,0,0|2,0,1]=4 456 B10R1.21 OCCNCc1cncs1 270004a_100000210304_100000749870 [1,0,0,0,0,0|2,0,1]=4 457 B10R1.21 OCCNCc1cncs1 34a_100016990907_100015185245 [1,0,0,0,0,0|2,0,1]=4 458 B10R1.21 OCCNCc1nccs1 207a_100000210304_100000750902 [1,0,0,0,0,0|2,0,1]=4 459 B10R1.21 OCCNCc1nccs1 2230a_100000740555_100000211926 [1,0,0,0,0,0|2,0,1]=4 460 B10R1.21 OCCNCc1nccs1 2230a_100016997473_100015184050 [1,0,0,0,0,0|2,0,1]=4 461 B10R1.21 OCCNCc1nccs1 270004a_100000210304_100000750902 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.21 OCCNCc1nccs1 34a_100016990907_100015184050 [1,0,0,0,0,0|2,0,1]=4 463 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,0,0,0,0,0|1,1,1]=4 464 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [1,0,0,0,0,0|1,0,1]=3 465 B10R1.21 OCCSCc1cncs1 62a_100000211926_100015185245 [1,0,0,0,0,0|2,0,1]=4 466 B10R1.21 OCCSCc1cncs1 62a_100015185245_100000211926 [1,0,0,0,0,0|2,0,1]=4 467 B10R1.21 OCCSCc1nccs1 62a_100000211926_100015184050 [1,0,0,0,0,0|2,0,1]=4 468 B10R1.21 OCCSCc1nccs1 62a_100015184050_100000211926 [1,0,0,0,0,0|2,0,1]=4 469 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,0,0,0|2,0,0]=3 470 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,0,0,0|2,0,0]=3 471 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,0,0,0|2,0,0]=3 472 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,0,0,0|2,0,0]=3 473 B12R1.54 C=C(C)CNC(C)c1cccs1 2230a_100000703493_100000748629 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 7a_100000750433_100000748629 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.54 C=C(F)CNC(C)c1cccs1 2230a_100000703493_100009893438 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.54 C=C(F)CO[C@H](C)c1cccs1 7a_100000750433_100000042424 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,0|1,0,1]=3 478 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,0|2,1,0]=4 480 B12R1.54 CC(NCC(=O)N)c1cccs1 2230a_100000703493_100000747473 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.54 CC(NCC(=O)N)c1nccs1 2230a_100000725601_100000747473 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.54 CC(NC[C@@H](C)O)c1cccs1 2230a_100000703493_100009817552 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.54 CC(O)CNC(C)c1cccs1 2230a_100000703493_100011218427 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.54 CC(O)CNC(C)c1cccs1 269862a_100000210904_100000185736 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.54 CC(O)CO[C@H](C)c1cccs1 7a_100000750433_100011218427 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.54 CC(OCC(=O)N)c1nccs1 7a_100000751044_100000187820 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.54 CN(C)CC[C@H](O)c1cccs1 2230a_100016247842_200000210301 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.54 CN([13CH3])CC[C@H](O)c1cccs1 2230a_100016247842_200025704644 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 2230a_100160469435_100000747473 [0,1,0,0,0,0|2,1,0]=4 490 B12R1.54 C[C@@H](O)CO[C@H](C)c1cccs1 7a_100000750433_100009817552 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 7a_100000750433_100000187820 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,1,0,0,0,0|2,1,0]=4 493 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,1,0,0,0,0|2,1,0]=4 494 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,1,0,0,0,0|1,1,1]=4 495 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.105 C=C(C)CCSc1cc(cs1)C 62a_100000730704_100009876951 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.105 C=C(C)CCSc1cc(cs1)C 62a_100009876951_100000730704 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.105 C=C(C)CCSc1ccc(s1)Br 62a_100000730704_100010197418 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.105 C=C(C)CCSc1ccc(s1)Br 62a_100010197418_100000730704 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.105 C=C(C)CCSc1ccc(s1)C 62a_100000031368_100000730704 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.105 C=C(C)CCSc1ccc(s1)C 62a_100000730704_100000031368 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.105 C=C(C)CNCc1cc(cs1)Br 2230a_100000741024_100000748629 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.105 C=C(C)CNCc1cc(cs1)Br 34a_100000741024_100000748629 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.105 C=C(C)CNCc1cc(cs1)C 2230a_100015204214_100000748629 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.105 C=C(C)CNCc1cc(cs1)C 34a_100015204214_100000748629 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.105 C=C(C)CNCc1ccc(s1)C 2230a_100000238518_100000748629 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.105 C=C(C)CNCc1ccc(s1)Cl 2230a_100000737310_100000748629 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000210245_100000746031 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000238369_100000748629 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.105 C=C(C)COCc1cc(cs1)Br 7a_100000238369_100000748629 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.105 C=C(C)COCc1cc(cs1)C 34a_200000068372_100000748629 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.105 C=C(C)COCc1cc(cs1)C 7a_200000068372_100000748629 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.105 C=C(C)COCc1ccc(s1)Br 34a_100000210245_100000708592 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.105 C=C(C)COCc1ccc(s1)C 34a_100000238367_100000748629 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.105 C=C(C)COCc1ccc(s1)Cl 34a_100000210245_100000185097 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000746031_100000211660 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000748629_100000746031 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000708592_100000211660 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000748629_100000708592 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000185097_100000211660 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000748629_100000185097 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.105 C=C(F)CNCc1cc(cs1)Br 2230a_100000741024_100009893438 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.105 C=C(F)CNCc1cc(cs1)Br 34a_100000741024_100009893438 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.105 C=C(F)CNCc1cc(cs1)C 2230a_100015204214_100009893438 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.105 C=C(F)CNCc1cc(cs1)C 34a_100015204214_100009893438 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.105 C=C(F)CNCc1ccc(s1)C 2230a_100000238518_100009893438 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.105 C=C(F)CNCc1ccc(s1)Cl 2230a_100000737310_100009893438 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.105 C=C(F)COCc1cc(cs1)Br 34a_100000238369_100009893438 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.105 C=C(F)COCc1cc(cs1)Br 34a_200010262243_100000746031 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.105 C=C(F)COCc1cc(cs1)Br 7a_100000238369_100000042424 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.105 C=C(F)COCc1cc(cs1)C 34a_200000068372_100009893438 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.105 C=C(F)COCc1cc(cs1)C 7a_200000068372_100000042424 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.105 C=C(F)COCc1ccc(s1)Br 34a_200010262243_100000708592 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.105 C=C(F)COCc1ccc(s1)C 34a_100000238367_100009893438 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.105 C=C(F)COCc1ccc(s1)Cl 34a_200010262243_100000185097 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.105 C=C(F)CSCc1cc(cs1)Br 62a_100000042424_100000746031 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.105 C=C(F)CSCc1cc(cs1)Br 62a_100000746031_100000042424 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.105 C=C(F)CSCc1ccc(s1)Br 62a_100000042424_100000708592 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.105 C=C(F)CSCc1ccc(s1)Br 62a_100000708592_100000042424 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.105 C=C(F)CSCc1ccc(s1)Cl 62a_100000042424_100000185097 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.105 C=C(F)CSCc1ccc(s1)Cl 62a_100000185097_100000042424 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.105 CC(=O)CCCn1cc(cn1)C 1458a_100000070787_200015186932 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100000053229_100009876951 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100009876951_100000053229 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.105 CC(=O)CCSc1cc(ns1)C 62a_100000053229_100009815735 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.105 CC(=O)CCSc1cc(ns1)C 62a_100009815735_100000053229 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100000053229_100010197418 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000053229 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000031368_100000053229 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000053229_100000031368 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100000053229_100012357534 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000053229 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000053229_100000764884 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000764884_100000053229 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000053229_100000718969 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000718969_100000053229 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.105 CC(=O)CCSc1nc(cs1)Br 62a_100000053229_200016082925 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.105 CC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000053229 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.105 CC(=O)CCSc1nc(cs1)C 62a_100000053229_100011291629 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.105 CC(=O)CCSc1nc(cs1)C 62a_100011291629_100000053229 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.105 CC(=O)CCSc1nc(cs1)N 62a_100000053229_200015188442 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.105 CC(=O)CCSc1nc(cs1)N 62a_200015188442_100000053229 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.105 CC(=O)CCSc1ncc(s1)C 62a_100000053229_100000690809 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.105 CC(=O)CCSc1ncc(s1)C 62a_100000690809_100000053229 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.105 CC(=O)COCc1cc(cs1)Br 34a_100000211253_100000746031 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.105 CC(=O)COCc1ccc(s1)Br 34a_100000211253_100000708592 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.105 CC(=O)COCc1ccc(s1)Cl 34a_100000211253_100000185097 [0,1,0,0,0,0|2,0,0]=3 568 B12R1.105 CC(=O)COCc1cnc(s1)Br 34a_100000211253_100000717027 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.105 CC(=O)COCc1cnc(s1)C 34a_100000211253_100020635045 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.105 CC(=O)COCc1cnc(s1)Cl 34a_100000211253_100000058068 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.105 CC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,0|2,1,0]=4 573 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,0|2,1,0]=4 574 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,0|2,1,0]=4 575 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.105 CC(=O)NCCc1nc(cs1)C 11a_100000736835_100015343762 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.105 CC(=O)NCCc1nc(cs1)C 1626a_100000736835_100015343762 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.105 CC(=O)NCCc1nc(cs1)C 240690a_100000736835_100015343762 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.105 CC(=O)NCCc1nc(cs1)C 527a_100000736835_100103153847 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100000076356_100009876951 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100009876951_100000076356 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100000076356_100010197418 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000076356 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000031368_100000076356 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000076356_100000031368 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.105 CC(O)CCSc1ccc(s1)Br 62a_100010197418_100012276601 [0,1,0,0,0,0|2,0,1]=4 590 B12R1.105 CC(O)CCSc1ccc(s1)Br 62a_100012276601_100010197418 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.105 CC(O)CNCc1cc(cs1)Br 207a_100000210904_100000211722 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.105 CC(O)CNCc1cc(cs1)Br 2230a_100000210904_100000746031 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.105 CC(O)CNCc1cc(cs1)Br 2230a_100000741024_100011218427 [0,1,0,0,0,0|2,0,1]=4 594 B12R1.105 CC(O)CNCc1cc(cs1)Br 270004a_100000210904_100000211722 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.105 CC(O)CNCc1cc(cs1)Br 34a_100000210904_100000746031 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.105 CC(O)CNCc1cc(cs1)Br 34a_100000741024_100011218427 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.105 CC(O)CNCc1cc(cs1)Cl 207a_100000210904_100000102487 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.105 CC(O)CNCc1cc(cs1)Cl 270004a_100000210904_100000102487 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.105 CC(O)CNCc1cc(cs1)I 207a_100000210904_100010179861 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.105 CC(O)CNCc1ccc(s1)Br 207a_100000210904_100000179771 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.105 CC(O)CNCc1ccc(s1)Br 2230a_100000210904_100000708592 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.105 CC(O)CNCc1ccc(s1)Br 270004a_100000210904_100000179771 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.105 CC(O)CNCc1ccc(s1)Br 34a_100000210904_100000708592 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.105 CC(O)CNCc1ccc(s1)Cl 207a_100000210904_100000242774 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.105 CC(O)CNCc1ccc(s1)Cl 2230a_100000210904_100000185097 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.105 CC(O)CNCc1ccc(s1)Cl 2230a_100000737310_100011218427 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.105 CC(O)CNCc1ccc(s1)Cl 270004a_100000210904_100000242774 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.105 CC(O)CNCc1ccc(s1)Cl 34a_100000210904_100000185097 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.105 CC(O)COCc1cc(cs1)Br 34a_100000238369_100011218427 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.105 CC(O)COCc1cc(cs1)Br 7a_100000238369_100011218427 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100000746031_100011218427 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.105 CC(O)CSCc1cc(cs1)Br 62a_100011218427_100000746031 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100000708592_100011218427 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.105 CC(O)CSCc1ccc(s1)Br 62a_100011218427_100000708592 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100000185097_100011218427 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.105 CC(O)CSCc1ccc(s1)Cl 62a_100011218427_100000185097 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.105 C[C@@H](O)CNCc1cc(cs1)Br 2230a_100000741024_100009817552 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.105 C[C@@H](O)CNCc1cc(cs1)Br 34a_100000741024_100009817552 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.105 C[C@@H](O)CNCc1ccc(s1)Cl 2230a_100000737310_100009817552 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.105 C[C@@H](O)COCc1cc(cs1)Br 34a_100000238369_100009817552 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.105 C[C@@H](O)COCc1cc(cs1)Br 7a_100000238369_100009817552 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100000746031_100009817552 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.105 C[C@@H](O)CSCc1cc(cs1)Br 62a_100009817552_100000746031 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100000708592_100009817552 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Br 62a_100009817552_100000708592 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100000185097_100009817552 [0,1,0,0,0,0|2,0,1]=4 627 B12R1.105 C[C@@H](O)CSCc1ccc(s1)Cl 62a_100009817552_100000185097 [0,1,0,0,0,0|2,0,1]=4 628 B12R1.105 Cc1cc(no1)CNCC(=O)O 269956a_100016091260_100000199038 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.105 Cc1cc(on1)CNCC(=O)O 269956a_100016091260_100000707947 [0,1,0,0,0,0|2,1,0]=4 630 B12R1.105 Cc1cc(sn1)SCCC(=O)N 62a_100000744528_100009815735 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.105 Cc1cc(sn1)SCCC(=O)N 62a_100009815735_100000744528 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.105 Cc1ccc(o1)CNCC(=O)N 34a_100011194323_100000187820 [0,1,0,0,0,0|2,1,0]=4 633 B12R1.105 Cc1ccc(o1)CNCC(=O)[O-] 34a_100011194323_100020667443 [0,1,0,0,0,0|1,1,1]=4 634 B12R1.105 Cc1ccc(o1)COCC(=O)N 34a_100011232665_100000187820 [0,1,0,0,0,0|2,1,0]=4 635 B12R1.105 Cc1ccc(o1)COCC(=O)N 7a_100011232665_100000187820 [0,1,0,0,0,0|2,1,0]=4 636 B12R1.105 Cc1ccc(o1)COCC(=O)[O-] 34a_100011232665_100020667443 [0,1,0,0,0,0|1,1,1]=4 637 B12R1.105 Cc1ccc(s1)CNCC(=O)N 2230a_100000238518_100000747473 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.105 Cc1ccc(s1)CNCC(C)O 207a_100000210904_100000211121 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.105 Cc1ccc(s1)CNCC(C)O 2230a_100000238518_100011218427 [0,1,0,0,0,0|2,0,1]=4 640 B12R1.105 Cc1ccc(s1)CNCC(C)O 270004a_100000210904_100000211121 [0,1,0,0,0,0|2,0,1]=4 641 B12R1.105 Cc1ccc(s1)CNC[C@@H](C)O 2230a_100000238518_100009817552 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.105 Cc1ccc(s1)COCC(=O)N 34a_100000238367_100000187820 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.105 Cc1ccc(s1)COCC(=O)[O-] 34a_100000238367_100020667443 [0,1,0,0,0,0|1,0,1]=3 644 B12R1.105 Cc1ccc(s1)COCC(C)O 34a_100000238367_100011218427 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.105 Cc1ccc(s1)COC[C@@H](C)O 34a_100000238367_100009817552 [0,1,0,0,0,0|2,0,1]=4 646 B12R1.105 Cc1ccc(s1)COC[N+](=O)[O-] 34a_100000238367_100000761209 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.105 Cc1ccc(s1)SCCC(=O)N 62a_100000031368_100000744528 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.105 Cc1ccc(s1)SCCC(=O)N 62a_100000744528_100000031368 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.105 Cc1ccc(s1)SCCC(C)O 62a_100000031368_100012276601 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.105 Cc1ccc(s1)SCCC(C)O 62a_100012276601_100000031368 [0,1,0,0,0,0|2,0,1]=4 651 B12R1.105 Cc1cnc(s1)SCCC(=O)N 62a_100000690809_100000744528 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.105 Cc1cnc(s1)SCCC(=O)N 62a_100000744528_100000690809 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.105 Cc1csc(c1)CNCC(=O)N 2230a_100015204214_100000747473 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.105 Cc1csc(c1)CNCC(=O)N 34a_100015204214_100000187820 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.105 Cc1csc(c1)CNCC(=O)[O-] 34a_100015204214_100020667443 [0,1,0,0,0,0|1,0,1]=3 656 B12R1.105 Cc1csc(c1)CNCC(C)O 207a_100000210904_100102525248 [0,1,0,0,0,0|2,0,1]=4 657 B12R1.105 Cc1csc(c1)CNCC(C)O 2230a_100015204214_100011218427 [0,1,0,0,0,0|2,0,1]=4 658 B12R1.105 Cc1csc(c1)CNCC(C)O 270004a_100000210904_100102525248 [0,1,0,0,0,0|2,0,1]=4 659 B12R1.105 Cc1csc(c1)CNCC(C)O 34a_100015204214_100011218427 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.105 Cc1csc(c1)CNC[C@@H](C)O 2230a_100015204214_100009817552 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.105 Cc1csc(c1)CNC[C@@H](C)O 34a_100015204214_100009817552 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.105 Cc1csc(c1)CNC[N+](=O)[O-] 34a_100015204214_100000761209 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.105 Cc1csc(c1)COCC(=O)N 34a_200000068372_100000187820 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.105 Cc1csc(c1)COCC(=O)N 7a_200000068372_100000187820 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.105 Cc1csc(c1)COCC(=O)[O-] 34a_200000068372_100020667443 [0,1,0,0,0,0|1,0,1]=3 666 B12R1.105 Cc1csc(c1)COCC(C)O 34a_200000068372_100011218427 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.105 Cc1csc(c1)COCC(C)O 7a_200000068372_100011218427 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.105 Cc1csc(c1)COC[C@@H](C)O 34a_200000068372_100009817552 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.105 Cc1csc(c1)COC[C@@H](C)O 7a_200000068372_100009817552 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.105 Cc1csc(c1)COC[N+](=O)[O-] 34a_200000068372_100000761209 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.105 Cc1csc(c1)SCCC(=O)N 62a_100000744528_100009876951 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.105 Cc1csc(c1)SCCC(=O)N 62a_100009876951_100000744528 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.105 Cc1csc(c1)SCCC(C)O 62a_100009876951_100012276601 [0,1,0,0,0,0|2,0,1]=4 674 B12R1.105 Cc1csc(c1)SCCC(C)O 62a_100012276601_100009876951 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.105 Cc1csc(n1)CNCC(=O)N 2230a_100015183719_100000747473 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.105 Cc1csc(n1)SCCC(=O)N 62a_100000744528_100011291629 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.105 Cc1csc(n1)SCCC(=O)N 62a_100011291629_100000744528 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.105 Cc1nc(cs1)CNCC(=O)O 269956a_100016091260_100015186478 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.105 Cc1ncc(s1)CNCC(=O)N 2230a_100000711301_100020635045 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.105 Cc1ncc(s1)CNCC(=O)N 2230a_200000743601_100000747473 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.105 Cc1ncc(s1)CNCC(=O)O 269956a_100016091260_100020635045 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.105 Cc1ncc(s1)COCC(=O)N 7a_100000743366_100000187820 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.105 Cc1ncc(s1)CSCC(=O)N 62a_100000747473_100020635045 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.105 Cc1ncc(s1)CSCC(=O)N 62a_100020635045_100000747473 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.105 Cc1ncc(s1)CSCC(=O)[O-] 62a_100020635045_100020667443 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.105 Cc1ncc(s1)CSCC(=O)[O-] 62a_100020667443_100020635045 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.105 Cc1ncc(s1)SCCC(=O)N 62a_100000744528_100000764884 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.105 Cc1ncc(s1)SCCC(=O)N 62a_100000764884_100000744528 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.105 Cc1nnc(s1)CNCC(=O)O 269956a_100016091260_100000688753 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.105 Cn1cc(nn1)CCCC(=O)O 274090a_200000210301_100000690238 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.105 Cn1ccc(n1)CNCC(=O)O 269956a_100016091260_100000726502 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.105 Cn1cnc(c1)CNCC(=O)O 269956a_100016091260_100000717665 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.105 NC(=O)CCSc1ccc(s1)Br 62a_100000744528_100010197418 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.105 NC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000744528 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.105 NC(=O)CCSc1cnc(s1)Br 62a_100000744528_100012357534 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.105 NC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000744528 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.105 NC(=O)CCSc1cnc(s1)N 62a_100000718969_100000744528 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.105 NC(=O)CCSc1cnc(s1)N 62a_100000744528_100000718969 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.105 NC(=O)CCSc1nc(cs1)Br 62a_100000744528_200016082925 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.105 NC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000744528 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.105 NC(=O)CCSc1nc(cs1)N 62a_100000744528_200015188442 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.105 NC(=O)CCSc1nc(cs1)N 62a_200015188442_100000744528 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000711301_100000746031 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747473 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.105 NC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000187820 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.105 NC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000187820 [0,1,0,0,0,0|2,1,0]=4 707 B12R1.105 NC(=O)CNCc1ccc(s1)Br 2230a_100000711301_100000708592 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000711301_100000185097 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747473 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.105 NC(=O)CNCc1cnc(s1)Br 2230a_100000711301_100000717027 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.105 NC(=O)CNCc1cnc(s1)Br 2230a_100000726991_100000747473 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.105 NC(=O)CNCc1cnc(s1)Cl 2230a_100000711301_100000058068 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.105 NC(=O)CNCc1cnc(s1)Cl 2230a_100000726635_100000747473 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.105 NC(=O)COCc1cc(cs1)Br 34a_100000238369_100000187820 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.105 NC(=O)COCc1cc(cs1)Br 7a_100000238369_100000187820 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.105 NC(=O)COCc1ccc(o1)Br 34a_100000246276_100000187820 [0,1,0,0,0,0|2,1,0]=4 717 B12R1.105 NC(=O)COCc1ccc(o1)Br 7a_100000246276_100000187820 [0,1,0,0,0,0|2,1,0]=4 718 B12R1.105 NC(=O)COCc1cnc(s1)Br 7a_100009816753_100000187820 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.105 NC(=O)COCc1cnc(s1)Cl 7a_100000697714_100000187820 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.105 NC(=O)COCc1cnc(s1)N 7a_100011997359_100000187820 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.105 NC(=O)COCc1nc(cs1)Br 7a_100012000107_100000187820 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747473 [0,1,0,0,0,0|2,0,0]=3 723 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000747473_100000746031 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747473 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000747473_100000708592 [0,1,0,0,0,0|2,0,0]=3 726 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747473 [0,1,0,0,0,0|2,0,0]=3 727 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000747473_100000185097 [0,1,0,0,0,0|2,0,0]=3 728 B12R1.105 NC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747473 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.105 NC(=O)CSCc1cnc(s1)Br 62a_100000747473_100000717027 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.105 NC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747473 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.105 NC(=O)CSCc1cnc(s1)Cl 62a_100000747473_100000058068 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.105 O=C(O)CNCC1=CC(=O)OC1 269956a_100016091260_100000716558 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.105 O=C(O)CNCc1cc(cs1)Br 269956a_100016091260_100000746031 [0,1,0,0,0,0|1,0,0]=2 734 B12R1.105 O=C(O)CNCc1cc(no1)Br 269956a_100016091260_100000709089 [0,1,0,0,0,0|2,1,0]=4 735 B12R1.105 O=C(O)CNCc1ccc(s1)Br 269956a_100016091260_100000708592 [0,1,0,0,0,0|1,0,0]=2 736 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 269956a_100016091260_100000185097 [0,1,0,0,0,0|1,0,0]=2 737 B12R1.105 O=C(O)CNCc1cnc(s1)Br 269956a_100016091260_100000717027 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.105 O=C(O)CNCc1cnc(s1)Cl 269956a_100016091260_100000058068 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.105 O=C(O)CNCc1csc(n1)Cl 269956a_100016091260_100000024076 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.105 O=C([O-])CNCc1cc(cs1)Br 34a_100000741024_100020667443 [0,1,0,0,0,0|1,0,1]=3 741 B12R1.105 O=C([O-])CNCc1ccc(o1)Br 34a_100000708654_100020667443 [0,1,0,0,0,0|1,1,1]=4 742 B12R1.105 O=C([O-])COCc1cc(cs1)Br 34a_100000238369_100020667443 [0,1,0,0,0,0|1,0,1]=3 743 B12R1.105 O=C([O-])COCc1ccc(o1)Br 34a_100000246276_100020667443 [0,1,0,0,0,0|1,1,1]=4 744 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100000746031_100020667443 [0,1,0,0,0,0|1,0,1]=3 745 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100020667443_100000746031 [0,1,0,0,0,0|1,0,1]=3 746 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100000708592_100020667443 [0,1,0,0,0,0|1,0,1]=3 747 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100020667443_100000708592 [0,1,0,0,0,0|1,0,1]=3 748 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100000185097_100020667443 [0,1,0,0,0,0|1,0,1]=3 749 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100020667443_100000185097 [0,1,0,0,0,0|1,0,1]=3 750 B12R1.105 O=C([O-])CSCc1cnc(s1)Br 62a_100000717027_100020667443 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.105 O=C([O-])CSCc1cnc(s1)Br 62a_100020667443_100000717027 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.105 O=C([O-])CSCc1cnc(s1)Cl 62a_100000058068_100020667443 [0,1,0,0,0,0|2,0,1]=4 753 B12R1.105 O=C([O-])CSCc1cnc(s1)Cl 62a_100020667443_100000058068 [0,1,0,0,0,0|2,0,1]=4 754 B12R1.105 O=[N+]([O-])CNCc1cc(cs1)Br 34a_100000741024_100000761209 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.105 O=[N+]([O-])COCc1cc(cs1)Br 34a_100000238369_100000761209 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.105 O=[N+]([O-])CSCc1cc(cs1)Br 62a_100000746031_100000761209 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.105 O=[N+]([O-])CSCc1ccc(s1)Br 62a_100000708592_100000761209 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.105 O=[N+]([O-])CSCc1ccc(s1)Cl 62a_100000185097_100000761209 [0,1,0,0,0,0|2,0,1]=4 759 B12R1.105 [13CH3]C(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200025704644 [0,1,0,0,0,0|2,0,0]=3 760 B12R1.105 [13CH3]n1cc(nn1)CCCC(=O)O 274090a_200025704644_100000690238 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.130 C=C(C)CCSc1sccc1Br 62a_100000730704_100012361411 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.130 C=C(C)CCSc1sccc1Br 62a_100012361411_100000730704 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.130 C=C(C)CCSc1sccc1C 62a_100000730704_100010247149 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.130 C=C(C)CCSc1sccc1C 62a_100010247149_100000730704 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.130 C=C(C)CNCc1sccc1C 2230a_100000238519_100000748629 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.130 C=C(C)CNCc1sccc1C 34a_100000238519_100000748629 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.130 C=C(C)CNCc1sccc1Cl 2230a_100011934584_100000748629 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.130 C=C(C)CNCc1sccc1Cl 34a_100011934584_100000748629 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.130 C=C(C)COCc1sccc1Br 34a_100000702026_100000748629 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.130 C=C(C)COCc1sccc1Cl 34a_100000722387_100000748629 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.130 C=C(C)COCc1sccc1Cl 7a_100000722387_100000748629 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.130 C=C(F)CNCc1sccc1C 2230a_100000238519_100009893438 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.130 C=C(F)CNCc1sccc1C 34a_100000238519_100009893438 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.130 C=C(F)CNCc1sccc1Cl 2230a_100011934584_100009893438 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.130 C=C(F)CNCc1sccc1Cl 34a_100011934584_100009893438 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.130 C=C(F)COCc1sccc1Br 34a_100000702026_100009893438 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.130 C=C(F)COCc1sccc1C 34a_100000238368_100009893438 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.130 C=C(F)COCc1sccc1C 7a_100000238368_100000042424 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.130 C=C(F)COCc1sccc1Cl 34a_100000722387_100009893438 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.130 C=C(F)COCc1sccc1Cl 7a_100000722387_100000042424 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100000053229_100012361411 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100012361411_100000053229 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.130 CC(=O)CCSc1scnc1C 62a_100000053229_100009817116 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.130 CC(=O)CCSc1scnc1C 62a_100009817116_100000053229 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.130 CC(=O)NCCc1scnc1C 11a_100000238517_100015343762 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.130 CC(=O)NCCc1scnc1C 1626a_100000238517_100015343762 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.130 CC(=O)NCCc1scnc1C 240690a_100000238517_100015343762 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.130 CC(=O)NCCc1scnc1C 527a_100000238517_100103153847 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100000076356_100012361411 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100012361411_100000076356 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.130 CC(O)CCSc1sccc1Br 62a_100012276601_100012361411 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.130 CC(O)CCSc1sccc1Br 62a_100012361411_100012276601 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.130 CC(O)CNCc1sccc1Br 207a_100000210904_100000766043 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.130 CC(O)CNCc1sccc1Br 270004a_100000210904_100000766043 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.130 CC(O)CNCc1sccc1Cl 207a_100000210904_100000722334 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.130 CC(O)CNCc1sccc1Cl 2230a_100011934584_100011218427 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.130 CC(O)CNCc1sccc1Cl 270004a_100000210904_100000722334 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.130 CC(O)CNCc1sccc1Cl 34a_100011934584_100011218427 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.130 CC(O)COCc1sccc1Br 34a_100000702026_100011218427 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.130 CC(O)COCc1sccc1Cl 34a_100000722387_100011218427 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.130 CC(O)COCc1sccc1Cl 7a_100000722387_100011218427 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.130 C[C@@H](O)CNCc1sccc1Cl 2230a_100011934584_100009817552 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.130 C[C@@H](O)CNCc1sccc1Cl 34a_100011934584_100009817552 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.130 C[C@@H](O)COCc1sccc1Br 34a_100000702026_100009817552 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.130 C[C@@H](O)COCc1sccc1Cl 34a_100000722387_100009817552 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.130 C[C@@H](O)COCc1sccc1Cl 7a_100000722387_100009817552 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.130 Cc1[nH]cnc1CNCC(=O)O 269956a_100016091260_100000751220 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.130 Cc1ccoc1COCC(=O)N 34a_100011273948_100000187820 [0,1,0,0,0,0|2,1,0]=4 819 B12R1.130 Cc1ccoc1COCC(=O)N 7a_100011273948_100000187820 [0,1,0,0,0,0|2,1,0]=4 820 B12R1.130 Cc1ccoc1COCC(=O)[O-] 34a_100011273948_100020667443 [0,1,0,0,0,0|1,1,1]=4 821 B12R1.130 Cc1ccsc1CNCC(=O)N 2230a_100000238519_100000747473 [0,1,0,0,0,0|2,0,0]=3 822 B12R1.130 Cc1ccsc1CNCC(=O)N 34a_100000238519_100000187820 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.130 Cc1ccsc1CNCC(=O)[O-] 34a_100000238519_100020667443 [0,1,0,0,0,0|1,0,1]=3 824 B12R1.130 Cc1ccsc1CNCC(C)O 207a_100000210904_100000210881 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.130 Cc1ccsc1CNCC(C)O 2230a_100000238519_100011218427 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.130 Cc1ccsc1CNCC(C)O 270004a_100000210904_100000210881 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.130 Cc1ccsc1CNCC(C)O 34a_100000238519_100011218427 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.130 Cc1ccsc1CNC[C@@H](C)O 2230a_100000238519_100009817552 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.130 Cc1ccsc1CNC[C@@H](C)O 34a_100000238519_100009817552 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.130 Cc1ccsc1CNC[N+](=O)[O-] 34a_100000238519_100000761209 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.130 Cc1ccsc1COCC(=O)N 34a_100000238368_100000187820 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.130 Cc1ccsc1COCC(=O)N 7a_100000238368_100000187820 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.130 Cc1ccsc1COCC(=O)[O-] 34a_100000238368_100020667443 [0,1,0,0,0,0|1,0,1]=3 834 B12R1.130 Cc1ccsc1COCC(C)O 34a_100000238368_100011218427 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.130 Cc1ccsc1COCC(C)O 7a_100000238368_100011218427 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.130 Cc1ccsc1COC[C@@H](C)O 34a_100000238368_100009817552 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.130 Cc1ccsc1COC[C@@H](C)O 7a_100000238368_100009817552 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.130 Cc1ccsc1COC[N+](=O)[O-] 34a_100000238368_100000761209 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100000744528_100010247149 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100010247149_100000744528 [0,1,0,0,0,0|2,0,0]=3 841 B12R1.130 Cc1ccsc1SCCC(C)O 62a_100010247149_100012276601 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.130 Cc1ccsc1SCCC(C)O 62a_100012276601_100010247149 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.130 Cc1ncsc1CNCC(=O)N 2230a_100000752186_100000747473 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.130 Cc1ncsc1COCC(=O)N 34a_100000750112_100000187820 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.130 Cc1ncsc1COCC(=O)N 7a_100000750112_100000187820 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.130 Cc1ncsc1COCC(=O)[O-] 34a_100000750112_100020667443 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100000744528_100009817116 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.130 Cc1ncsc1SCCC(=O)N 62a_100009817116_100000744528 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.130 Cc1nnsc1CNCC(=O)O 269956a_100016091260_100000732739 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.130 Cc1ocnc1CNCC(=O)O 269956a_100016091260_200000693990 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.130 Cn1cccc1CNCC(=O)N 34a_100011219357_100000187820 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.130 Cn1cccc1CNCC(=O)[O-] 34a_100011219357_100020667443 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.130 Cn1ccnc1CNCC(=O)O 269956a_100016091260_100000700302 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.130 Cn1nccc1CNCC(=O)O 269956a_100016091260_100000691648 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.130 NC(=O)CCSc1sccc1Br 62a_100000744528_100012361411 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.130 NC(=O)CCSc1sccc1Br 62a_100012361411_100000744528 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.130 NC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747473 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.130 NC(=O)CNCc1sccc1Cl 34a_100011934584_100000187820 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.130 NC(=O)COCc1sccc1Br 34a_100000702026_100000187820 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.130 NC(=O)COCc1sccc1Cl 34a_100000722387_100000187820 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.130 NC(=O)COCc1sccc1Cl 7a_100000722387_100000187820 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.130 NC(=O)COCc1scnc1Br 7a_100012000948_100000187820 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.130 O=C(O)CNCc1ccsc1Br 269956a_100016091260_100009814289 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.130 O=C(O)CNCc1ccsc1Cl 269956a_100016091260_100010167017 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.130 O=C([O-])CNCc1sccc1Cl 34a_100011934584_100020667443 [0,1,0,0,0,0|1,0,1]=3 866 B12R1.130 O=C([O-])COCc1sccc1Br 34a_100000702026_100020667443 [0,1,0,0,0,0|1,0,1]=3 867 B12R1.130 O=C([O-])COCc1sccc1Cl 34a_100000722387_100020667443 [0,1,0,0,0,0|1,0,1]=3 868 B12R1.130 O=[N+]([O-])CNCc1sccc1Cl 34a_100011934584_100000761209 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.130 O=[N+]([O-])COCc1sccc1Br 34a_100000702026_100000761209 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.130 O=[N+]([O-])COCc1sccc1Cl 34a_100000722387_100000761209 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.260 C=C(C)CN(C)Cc1cccs1 2230a_100000184426_100000748629 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.260 C=C(C)CN(C)Cc1cccs1 269982a_100000184426_100000748629 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.260 C=C(C)CN(C)Cc1cccs1 270004a_100000225649_100000209959 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.260 C=C(F)CC(=O)Cc1cccs1 1458a_100000210189_100009893438 [0,1,0,0,0,0|2,0,1]=4 876 B12R1.260 C=C(F)CN(C)Cc1cccs1 2230a_100000184426_100009893438 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.260 C=C(F)CN(C)Cc1cccs1 269982a_100000184426_100009893438 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.260 CC(O)CC(=O)Cc1cccs1 1458a_100000210189_100011218427 [0,1,0,0,0,0|1,0,2]=4 885 B12R1.260 CC(O)CN(C)Cc1cccs1 2230a_100000184426_100011218427 [0,1,0,0,0,0|2,0,1]=4 886 B12R1.260 CC(O)CN(C)Cc1cccs1 269982a_100000184426_100011218427 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.260 CC(O)CN(C)Cc1cccs1 270004a_100000227577_100000209959 [0,1,0,0,0,0|2,0,1]=4 888 B12R1.260 CN(CC(=O)N)Cc1ccco1 2230a_100000185268_100000747473 [0,1,0,0,0,0|2,1,0]=4 889 B12R1.260 CN(CC(=O)N)Cc1ccco1 269982a_100000185268_100000187820 [0,1,0,0,0,0|2,1,0]=4 890 B12R1.260 CN(CC(=O)N)Cc1ccco1 270004a_100000739694_100000186105 [0,1,0,0,0,0|2,1,0]=4 891 B12R1.260 CN(CC(=O)N)Cc1cccs1 2230a_100000184426_100000747473 [0,1,0,0,0,0|2,0,0]=3 892 B12R1.260 CN(CC(=O)N)Cc1cccs1 269982a_100000184426_100000187820 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.260 CN(CC(=O)N)Cc1cccs1 270004a_100000739694_100000209959 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.260 CN(CC(=O)N)Cc1cncs1 2230a_100000739694_100015185245 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.260 CN(CC(=O)N)Cc1cncs1 270004a_100000739694_100000749870 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.260 CN(CC(=O)N)Cc1nccs1 2230a_100000739694_100015184050 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.260 CN(CC(=O)N)Cc1nccs1 2230a_100000765864_100000747473 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.260 CN(CC(=O)N)Cc1nccs1 269982a_100000765864_100000187820 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.260 CN(CC(=O)N)Cc1nccs1 270004a_100000739694_100000750902 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.260 CN(CC(=O)O)Cc1c[nH]cn1 269956a_100000746989_100000707719 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.260 CN(CC(=O)O)Cc1ccn[nH]1 269956a_100000746989_100000728653 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.260 CN(CC(=O)O)Cc1ccon1 269956a_100000746989_100000234950 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.260 CN(CC(=O)O)Cc1ccsc1 269956a_100000746989_100011261437 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.260 CN(CC(=O)O)Cc1cncs1 269956a_100000746989_100015185245 [0,1,0,0,0,0|2,0,0]=3 905 B12R1.260 CN(CC(=O)O)Cc1cscn1 269956a_100000746989_100000205941 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.260 CN(CC(=O)O)Cc1ncc[nH]1 269956a_100000746989_100000753453 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.260 CN(CC(=O)O)Cc1ncco1 269956a_100000746989_103436540062 [0,1,0,0,0,0|2,1,0]=4 908 B12R1.260 CN(CC(=O)O)Cc1nccs1 269956a_100000746989_100015184050 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.260 CN(CC(=O)[O-])Cc1ccco1 269982a_100000185268_100020667443 [0,1,0,0,0,0|1,1,1]=4 910 B12R1.260 CN(CC(=O)[O-])Cc1cccs1 269982a_100000184426_100020667443 [0,1,0,0,0,0|1,0,1]=3 911 B12R1.260 CN(CC(=O)[O-])Cc1nccs1 269982a_100000765864_100020667443 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.260 CN(Cc1cccs1)C[N+](=O)[O-] 269982a_100000184426_100000761209 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.260 C[C@@H](O)CN(C)Cc1cccs1 2230a_100000184426_100009817552 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.260 C[C@@H](O)CN(C)Cc1cccs1 269982a_100000184426_100009817552 [0,1,0,0,0,0|2,0,1]=4 915 B12R1.260 NC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000187820 [0,1,0,0,0,0|2,0,1]=4 916 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,0|1,1,1]=4 917 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,1,0,0,0,0|1,0,1]=3 918 B12R1.260 NC(=O)CC(=O)Cc1cncs1 1458a_100134613110_100015185245 [0,1,0,0,0,0|2,0,1]=4 919 B12R1.260 NC(=O)CC(=O)Cc1nccs1 1458a_100134613110_100015184050 [0,1,0,0,0,0|2,0,1]=4 920 B12R1.260 O=C(Cc1cccs1)C[N+](=O)[O-] 1458a_100000210189_100000761209 [0,1,0,0,0,0|1,0,2]=4 921 B12R1.260 O=C([O-])CC(=O)Cc1ccc[nH]1 1458a_100000238377_100020667443 [0,1,0,0,0,0|1,0,2]=4 922 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,0|0,1,2]=4 923 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,1,0,0,0,0|0,0,2]=3 924 B12R1.264 C=C(C)C(=O)CCc1cccs1 1458a_100000185857_100000748579 [0,1,0,0,0,0|2,0,1]=4 925 B12R1.264 C=C(C)C(C)NCc1cccs1 269862a_100000211653_100011216138 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011215356_100011261029 [0,1,0,0,0,0|2,0,1]=4 927 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011261029_100011215356 [0,1,0,0,0,0|2,0,1]=4 928 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,0,0|2,1,0]=4 929 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,1,0,0,0,0|2,0,0]=3 930 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.264 CC(=O)C(C)NCc1nccs1 2230a_100000740555_100009814033 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.264 CC(=O)C(C)OCc1nccs1 34a_100000212229_100015184050 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100009814033_100015184050 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100015184050_100009814033 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,1,0,0,0,0|2,1,0]=4 939 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,1,0,0,0,0|2,1,0]=4 940 B12R1.264 CC(NCc1cccs1)C(=O)N 2230a_100000211653_100000702099 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.264 CC(NCc1cncs1)C(=O)N 2230a_100016987365_100000702099 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.264 CC(NCc1nccs1)C(=O)N 2230a_100000740555_100000702099 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,1,0,0,0,0|2,1,0]=4 944 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100000702099_100015185245 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.264 CC(SCc1cncs1)C(=O)N 62a_100015185245_100000702099 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100000702099_100015184050 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.264 CC(SCc1nccs1)C(=O)N 62a_100015184050_100000702099 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,1,0,0,0,0|2,1,0]=4 950 B12R1.264 C[C@@H](NCc1cccs1)C(=O)N 270004a_100000119354_100000209959 [0,1,0,0,0,0|2,0,0]=3 951 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 2230a_100000119354_100015185245 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 270004a_100000119354_100000749870 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.264 C[C@@H](NCc1cncs1)C(=O)N 34a_100000119354_100015185245 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 2230a_100000119354_100015184050 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 270004a_100000119354_100000750902 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.264 C[C@@H](NCc1nccs1)C(=O)N 34a_100000119354_100015184050 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.264 C[C@@H](O)C(=O)CCc1cccs1 1458a_100000717761_100000748579 [0,1,0,0,0,0|1,0,2]=4 958 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 34a_100000731257_100015185245 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.264 C[C@@H](OCc1cncs1)C(=O)N 7a_100000731257_100015185245 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.264 C[C@@H](OCc1nccs1)C(=O)N 34a_100000731257_100015184050 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.264 C[C@@H](OCc1nccs1)C(=O)N 7a_100000731257_100015184050 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.264 C[C@H](NCc1c[nH]cn1)C(=O)O 269956a_100000743915_100000707719 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.264 C[C@H](NCc1ccn[nH]1)C(=O)O 269956a_100000743915_100000728653 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.264 C[C@H](NCc1ccon1)C(=O)O 269956a_100000743915_100000234950 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.264 C[C@H](NCc1cncs1)C(=O)O 269956a_100000743915_100015185245 [0,1,0,0,0,0|2,0,0]=3 967 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.264 C[C@H](NCc1ncc[nH]1)C(=O)O 269956a_100000743915_100000753453 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 269956a_100000743915_103436540062 [0,1,0,0,0,0|2,1,0]=4 970 B12R1.264 C[C@H](NCc1nccs1)C(=O)O 269956a_100000743915_100015184050 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.264 C[C@H](O)C(=O)CCc1cccs1 1458a_217856618621_100000748579 [0,1,0,0,0,0|1,0,2]=4 972 B12R1.264 C[C@H](OCc1cncs1)C(=O)[O-] 7a_217856618621_100015185245 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.264 C[C@H](OCc1nccs1)C(=O)[O-] 7a_217856618621_100015184050 [0,1,0,0,0,0|2,0,1]=4 974 B12R1.264 NC(=O)C(=O)NCc1cccs1 240690a_100000211653_100011215815 [0,1,0,0,0,0|2,0,1]=4 975 B12R1.264 NC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813875 [0,1,0,0,0,0|2,1,0]=4 976 B12R1.264 NC(=O)C(F)NCc1ccco1 34a_100000185738_100009813875 [0,1,0,0,0,0|2,1,0]=4 977 B12R1.264 NC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813875 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.264 NC(=O)C(F)NCc1cncs1 2230a_100016987365_100009813875 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.264 NC(=O)C(F)NCc1nccs1 2230a_100000740555_100009813875 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.264 NC(=O)C(F)OCc1ccco1 34a_100000210059_100009813875 [0,1,0,0,0,0|2,1,0]=4 981 B12R1.264 NC(=O)C(F)OCc1cccs1 34a_100000211240_100009813875 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100009813875_100015185245 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.264 NC(=O)C(F)SCc1cncs1 62a_100015185245_100009813875 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100009813875_100015184050 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.264 NC(=O)C(F)SCc1nccs1 62a_100015184050_100009813875 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.264 O=C(CCc1cccs1)C(O)O 1458a_100000233687_100000748579 [0,1,0,0,0,0|0,0,3]=4 987 B12R1.264 O=C([O-])C(F)NCc1ccco1 34a_100000185738_100020610796 [0,1,0,0,0,0|1,1,1]=4 988 B12R1.264 O=C([O-])C(F)OCc1ccco1 34a_100000210059_100020610796 [0,1,0,0,0,0|1,1,1]=4 989 B12R1.264 O=C([O-])C(F)OCc1cccs1 34a_100000211240_100020610796 [0,1,0,0,0,0|1,0,1]=3 990 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100015185245_100020610796 [0,1,0,0,0,0|2,0,1]=4 991 B12R1.264 O=C([O-])C(F)SCc1cncs1 62a_100020610796_100015185245 [0,1,0,0,0,0|2,0,1]=4 992 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100015184050_100020610796 [0,1,0,0,0,0|2,0,1]=4 993 B12R1.264 O=C([O-])C(F)SCc1nccs1 62a_100020610796_100015184050 [0,1,0,0,0,0|2,0,1]=4 994 B12R1.477 C#CC(=O)CCCc1cccs1 1458a_100000211873_100010992444 [0,1,0,0,0,0|1,0,0]=2 995 B12R1.477 C#CC(=O)CCCn1cccc1 1458a_100000211873_200009814367 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.477 C#CC(=O)CCCn1cccn1 1458a_100000211873_100000739983 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.477 C=C(C#N)CNCc1cccs1 2230a_100000211653_100000694840 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.477 C=C(C#N)COCc1cccs1 34a_100000211240_100000694840 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.477 C=CC(=O)CCCc1cccs1 1458a_100000185746_100010992444 [0,1,0,0,0,0|1,0,0]=2 1000 B12R1.477 C=CC(=O)CCCn1cccc1 1458a_100000185746_200009814367 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.477 C=CC(=O)CCCn1cccn1 1458a_100000185746_100000739983 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,0,0,0,0|2,1,0]=4 1003 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,0,0,0,0|2,1,0]=4 1004 B12R1.477 C=CC(=O)NCCc1cccs1 1626a_100000203755_100000185746 [0,1,0,0,0,0|2,0,0]=3 1005 B12R1.477 C=CC(=O)NCCc1cccs1 240690a_100000203755_200121576911 [0,1,0,0,0,0|2,0,0]=3 1006 B12R1.477 C=CC(=O)NCCc1cncs1 1626a_100016991637_100000185746 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.477 C=CC(=O)NCCc1cncs1 240690a_100016991637_200121576911 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.477 C=CC(=O)NCCc1nccs1 1626a_100015186391_100000185746 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.477 C=CC(=O)NCCc1nccs1 240690a_100015186391_200121576911 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.477 C=CC(O)CNCc1cccs1 2230a_100000211653_100000730141 [0,1,0,0,0,0|2,0,1]=4 1011 B12R1.477 C=CC(O)COCc1cccs1 34a_100000211240_100000730141 [0,1,0,0,0,0|2,0,1]=4 1012 B12R1.477 CC(CO)CNCc1cccs1 207a_100000744482_100000209959 [0,1,0,0,0,0|2,0,1]=4 1013 B12R1.477 CC(CO)NCCc1cccs1 2230a_100000203755_100012180447 [0,1,0,0,0,0|2,0,1]=4 1014 B12R1.477 CC(CO)NCCc1cccs1 34a_100000203755_100012180447 [0,1,0,0,0,0|2,0,1]=4 1015 B12R1.477 CC(CO)OCCc1cccs1 34a_100011216825_100012180447 [0,1,0,0,0,0|2,0,1]=4 1016 B12R1.477 CC(CO)OCCc1cccs1 7a_100011216825_100012180447 [0,1,0,0,0,0|2,0,1]=4 1017 B12R1.477 CC(CO)SCCc1cccs1 62a_100012180447_100000748579 [0,1,0,0,0,0|2,0,1]=4 1018 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,0,0|1,0,0]=2 1019 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,0,0|1,0,0]=2 1020 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.477 CCC(=O)COCc1nccs1 34a_100000725409_100015184050 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.477 CCC(=O)CSCc1nccs1 62a_100000747405_100015184050 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.477 CCC(=O)CSCc1nccs1 62a_100015184050_100000747405 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,0|2,1,0]=4 1031 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,0|2,1,0]=4 1032 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,0|2,1,0]=4 1033 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,0|2,1,0]=4 1034 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.477 CCC(=O)NCCc1cncs1 11a_100016991637_100000210414 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.477 CCC(=O)NCCc1cncs1 1626a_100016991637_100000210414 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.477 CCC(=O)NCCc1cncs1 240690a_100016991637_100000210414 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.477 CCC(=O)NCCc1cncs1 527a_100016991637_100000210414 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.477 CCC(=O)NCCc1nccs1 11a_100015186391_100000210414 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.477 CCC(=O)NCCc1nccs1 1626a_100015186391_100000210414 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.477 CCC(=O)NCCc1nccs1 240690a_100015186391_100000210414 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.477 CCC(=O)NCCc1nccs1 527a_100015186391_100000210414 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.477 CCC(O)CNCc1cccs1 207a_100011218483_100000209959 [0,1,0,0,0,0|2,0,1]=4 1047 B12R1.477 CCC(O)CNCc1cccs1 2230a_100000211653_100011218378 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.477 CCC(O)CNCc1cccs1 270004a_100011218483_100000209959 [0,1,0,0,0,0|2,0,1]=4 1049 B12R1.477 CCC(O)COCc1cccs1 34a_100000211240_100011218378 [0,1,0,0,0,0|2,0,1]=4 1050 B12R1.477 CCN(C)CCCc1cccs1 2230a_100000225621_100010992444 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.477 CCN(C)CCCc1cccs1 269982a_100000225621_100010992444 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,0,0|1,0,0]=2 1053 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,0,0|1,0,0]=2 1054 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,0,0|1,0,0]=2 1056 B12R1.477 CNC(=O)CCCn1cccc1 11a_106832991635_100000691410 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.477 CNC(=O)CCCn1cccc1 1626a_100102657272_100000691410 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.477 CNC(=O)CCCn1cccc1 527a_100102657272_100000691410 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.477 CNC(=O)CCCn1cccn1 11a_106832991635_100000742828 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.477 CNC(=O)CCCn1cccn1 1626a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.477 CNC(=O)CCCn1cccn1 240690a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.477 CNC(=O)CCCn1cccn1 527a_100102657272_100000742828 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,1,0,0,0,0|2,1,0]=4 1064 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,1,0,0,0,0|2,1,0]=4 1065 B12R1.477 CNC(=O)CCSc1cccs1 62a_100000737683_100011215356 [0,1,0,0,0,0|2,0,0]=3 1066 B12R1.477 CNC(=O)CCSc1cccs1 62a_100011215356_100000737683 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.477 CNC(=O)CCSc1cncs1 62a_100000737683_100011934649 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.477 CNC(=O)CCSc1cncs1 62a_100011934649_100000737683 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000211983_100000737683 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000737683_100000211983 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,1,0,0,0,0|2,1,0]=4 1072 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,1,0,0,0,0|2,1,0]=4 1073 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,1,0,0,0,0|2,1,0]=4 1074 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,1,0,0,0,0|2,1,0]=4 1075 B12R1.477 CNC(=O)CNCc1cccs1 207a_100000693194_100000209959 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.477 CNC(=O)CNCc1cccs1 2230a_100000211653_100000183359 [0,1,0,0,0,0|2,0,0]=3 1077 B12R1.477 CNC(=O)CNCc1cccs1 270004a_100000693194_100000209959 [0,1,0,0,0,0|2,0,0]=3 1078 B12R1.477 CNC(=O)CNCc1cncs1 207a_100000693194_100000749870 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100000693194_100015185245 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100016987365_100000183359 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.477 CNC(=O)CNCc1cncs1 270004a_100000693194_100000749870 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.477 CNC(=O)CNCc1nccs1 207a_100000693194_100000750902 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000693194_100015184050 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000740555_100000183359 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.477 CNC(=O)CNCc1nccs1 270004a_100000693194_100000750902 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,1,0,0,0,0|2,1,0]=4 1087 B12R1.477 CNC(=O)COCc1cccs1 34a_100000211240_100000183359 [0,1,0,0,0,0|2,0,0]=3 1088 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.477 CNC(=O)COCc1nccs1 34a_100000750040_100015184050 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.477 CNC(=O)CSCc1nccs1 62a_100000183359_100015184050 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.477 CNC(=O)CSCc1nccs1 62a_100015184050_100000183359 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,0|2,1,0]=4 1095 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,0|2,1,0]=4 1096 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,0|2,1,0]=4 1097 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,0|2,1,0]=4 1098 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,0|2,1,0]=4 1099 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,1,0,0,0,0|2,0,0]=3 1103 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,1,0,0,0,0|2,0,0]=3 1104 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100016991637_106832991635 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100102657272_100016991637 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100016991637_100102657272 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100102657272_100016991637 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.477 CNC(=O)NCCc1cncs1 512a_100016991637_100102657272 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.477 CNC(=O)NCCc1cncs1 512a_106832991638_100016991637 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100015186391_106832991635 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100102657272_100015186391 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100015186391_100102657272 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100102657272_100015186391 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.477 CNC(=O)NCCc1nccs1 512a_100015186391_100102657272 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.477 CNC(=O)NCCc1nccs1 512a_106832991638_100015186391 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.477 COC(=O)CCCN1CC=CC1 269982a_100015195280_100011218270 [0,1,0,0,0,0|2,0,1]=4 1118 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000062575_100000204255 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000204255_100000062575 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,0|1,1,0]=3 1125 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,0|1,1,0]=3 1126 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,0,0|1,0,0]=2 1127 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,0,0|1,0,0]=2 1128 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.477 COC(=O)CCSc1ccon1 62a_100000204255_100009818083 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.477 COC(=O)CCSc1ccon1 62a_100009818083_100000204255 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.477 COC(=O)CCSc1ccsn1 62a_100000204255_100009818082 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.477 COC(=O)CCSc1ccsn1 62a_100009818082_100000204255 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,1,0,0,0,0|2,1,0]=4 1137 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,1,0,0,0,0|2,1,0]=4 1138 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [0,1,0,0,0,0|2,0,0]=3 1139 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.477 COC(=O)CCSc1cscn1 62a_100000204255_100000751502 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.477 COC(=O)CCSc1cscn1 62a_100000751502_100000204255 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100000204255_100025796157 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100025796157_100000204255 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,1,0,0,0,0|2,1,0]=4 1145 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,1,0,0,0,0|2,1,0]=4 1146 B12R1.477 COC(=O)CCSc1nccs1 62a_100000204255_100000211983 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.477 COC(=O)CCSc1nccs1 62a_100000211983_100000204255 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.477 COC(=O)CCSc1ncns1 62a_100000204255_100000693119 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.477 COC(=O)CCSc1ncns1 62a_100000693119_100000204255 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.477 COC(=O)CCSc1nncs1 62a_100000204255_100000739804 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.477 COC(=O)CCSc1nncs1 62a_100000739804_100000204255 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,0|1,1,0]=3 1153 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,0|1,1,0]=3 1154 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,0,0|1,0,0]=2 1155 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,1,0,0,0,0|2,1,0]=4 1162 B12R1.477 COC(=O)CNCc1nccs1 2230a_100000740555_100000747449 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,0|1,1,0]=3 1164 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,0,0|1,0,0]=2 1165 B12R1.477 COC(=O)COCc1ccno1 34a_100000740478_100000747449 [0,1,0,0,0,0|2,1,0]=4 1166 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,1,0,0,0,0|2,1,0]=4 1169 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747449 [0,1,0,0,0,0|3,0,0]=4 1173 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000747449_100000728653 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.477 COC(=O)CSCc1ccon1 62a_100000234950_100000747449 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.477 COC(=O)CSCc1ccon1 62a_100000747449_100000234950 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100000747449_100016991755 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747449 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,1,0,0,0,0|2,1,0]=4 1185 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,1,0,0,0,0|2,1,0]=4 1186 B12R1.477 COC(=O)CSCc1nccs1 62a_100000747449_100015184050 [0,1,0,0,0,0|2,0,0]=3 1187 B12R1.477 COC(=O)CSCc1nccs1 62a_100015184050_100000747449 [0,1,0,0,0,0|2,0,0]=3 1188 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,1,0,0,0,0|2,1,0]=4 1189 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [0,1,0,0,0,0|2,0,0]=3 1190 B12R1.477 COC(=O)OCSc1cncs1 62a_100011934649_100000139417 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.477 COC(=O)OCSc1nccs1 62a_100000211983_100000139417 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.477 COC(C)SCCc1cccs1 62a_100000748579_100009879195 [0,1,0,0,0,0|2,0,1]=4 1193 B12R1.477 COC(C)SCCc1cccs1 62a_100009879195_100000748579 [0,1,0,0,0,0|2,0,1]=4 1194 B12R1.477 CO[C@H](C)CNCc1cccs1 207a_100020591295_100000209959 [0,1,0,0,0,0|2,0,1]=4 1195 B12R1.477 CO[C@H](C)CNCc1cccs1 270004a_100020591295_100000209959 [0,1,0,0,0,0|2,0,1]=4 1196 B12R1.477 C[C@@H](CO)CNCc1cccs1 2230a_100000211653_100000059175 [0,1,0,0,0,0|2,0,1]=4 1197 B12R1.477 C[C@@H](CO)COCc1cccs1 34a_100000211240_100000059175 [0,1,0,0,0,0|2,0,1]=4 1198 B12R1.477 C[C@H](CO)NCCc1cccs1 2230a_100000737577_100000748579 [0,1,0,0,0,0|2,0,1]=4 1199 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100000748579_100016084084 [0,1,0,0,0,0|2,0,1]=4 1200 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100016084084_100000748579 [0,1,0,0,0,0|2,0,1]=4 1201 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,0,0|1,0,0]=2 1202 B12R1.477 O=C(CF)CCCn1cccc1 1458a_100000691410_100015361967 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.477 O=C(CF)CCCn1cccn1 1458a_100000742828_100015361967 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,0|0,0,0]=1 1205 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,0,0|2,0,0]=3 1206 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.477 O=C(CO)CCCn1ccnc1 1458a_100000210174_100000756272 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.477 O=C(CO)CCCn1cncn1 1458a_100000210174_100102700105 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.477 O=C(CO)NCCc1c[nH]cn1 527a_100000755092_100000210174 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,0|1,1,0]=3 1211 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,0|1,1,0]=3 1212 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,0|1,0,0]=2 1213 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,0|1,0,0]=2 1214 B12R1.477 O=C(CO)NCCc1ccsc1 240690a_100000692642_100000210174 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.477 O=C(CO)NCCc1ccsc1 527a_100000692642_100000210174 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.477 O=C(CO)NCCc1ncc[nH]1 240690a_100000754300_100000210174 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.477 O=C(CO)NCCc1ncc[nH]1 527a_100000754300_100000210174 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.477 O=C(CO)NCCc1nccs1 240690a_100015186391_100000210174 [0,1,0,0,0,0|2,0,0]=3 1221 B12R1.477 O=C(CO)NCCc1nccs1 527a_100015186391_100000210174 [0,1,0,0,0,0|2,0,0]=3 1222 B12R1.477 O=C(CO)NCCn1cccc1 240690a_100011368172_100000210174 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.477 O=C(CO)NCCn1cccc1 527a_100011368172_100000210174 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.477 O=C(CO)NCCn1cccn1 240690a_100011200920_100000210174 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.477 O=C(CO)NCCn1cccn1 527a_100011200920_100000210174 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.477 OCC(O)CNCc1cccs1 2230a_100000211653_100011219619 [0,1,0,0,0,0|1,0,2]=4 1227 B12R1.477 OCC(O)COCc1cccs1 34a_100000211240_100011219619 [0,1,0,0,0,0|1,0,2]=4 1228 B12R1.477 OC[C@@H](O)CNCc1cccs1 207a_100020644852_100000209959 [0,1,0,0,0,0|1,0,2]=4 1229 B12R1.477 OC[C@H](F)CNCc1cccs1 207a_100015665980_100000209959 [0,1,0,0,0,0|2,0,1]=4 1230 B12R1.477 OC[C@H](F)CNCc1cccs1 270004a_100015665980_100000209959 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.477 OC[C@H](O)CNCc1cccs1 2230a_100000211653_100009815848 [0,1,0,0,0,0|1,0,2]=4 1232 B12R1.477 OC[C@H](O)COCc1cccs1 34a_100000211240_100009815848 [0,1,0,0,0,0|1,0,2]=4 1233 B12R1.477 O[C@@H](CF)CNCc1cccs1 2230a_100000211653_100015614560 [0,1,0,0,0,0|2,0,1]=4 1234 B12R1.477 O[C@@H](CF)COCc1cccs1 34a_100000211240_100015614560 [0,1,0,0,0,0|2,0,1]=4 1235 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100000702414_100011215356 [0,1,0,0,0,0|2,0,1]=4 1236 B12R1.890 CC(C)(O)CCSc1cccs1 62a_100011215356_100000702414 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.890 CC(C)(O)CNCc1cccs1 207a_100000751335_100000209959 [0,1,0,0,0,0|2,0,1]=4 1238 B12R1.890 CC(C)(O)CNCc1cccs1 270004a_100000751335_100000209959 [0,1,0,0,0,0|2,0,1]=4 1239 B12R1.890 CC(C)(O)COCc1cccs1 34a_100000211240_100000764493 [0,1,0,0,0,0|2,0,1]=4 1240 B12R1.890 CS(=O)(=O)CCSc1cccs1 62a_100000731031_100011215356 [0,1,0,0,0,0|2,0,1]=4 1241 B12R1.890 CS(=O)(=O)CCSc1cccs1 62a_100011215356_100000230027 [0,1,0,0,0,0|2,0,1]=4 1242 B12R1.890 CS(=O)(=O)NCCc1cccs1 40a_100000203755_100000738038 [0,1,0,0,0,0|2,0,1]=4 1243 B12R1.890 O=S(=O)([O-])CCSc1cccs1 62a_100000762736_100011215356 [0,1,0,0,0,0|2,0,1]=4 1244 B12R1.890 O=S(=O)([O-])CCSc1cccs1 62a_100011215356_100000762736 [0,1,0,0,0,0|2,0,1]=4 1245 B12R1.890 O=S(=O)([O-])COCc1cccs1 34a_100000211240_100009817235 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,0,1,0,0,0|1,1,1]=4 1247 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,0,1,0,0,0|1,1,1]=4 1248 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,0,1,0,0,0|2,0,1]=4 1249 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,0,1,0,0,0|2,1,0]=4 1250 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,0,1,0,0,0|2,1,0]=4 1251 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,0,1,0,0,0|2,1,0]=4 1252 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,0,1,0,0,0|2,1,0]=4 1253 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,1,0,0,0|1,1,1]=4 1254 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,0,1,0,0,0|1,1,1]=4 1255 B10R0.3 NC(=O)CCCC(=O)C=CBr 1458a_100016273825_100102525003 [0,0,1,0,0,0|2,1,0]=4 1256 B10R0.3 NC(=O)CCCC(=O)C=CCl 1458a_200016279998_100102525003 [0,0,1,0,0,0|2,1,0]=4 1257 B10R0.3 NC(=O)CCCC(=O)C=CI 1458a_100016256311_100102525003 [0,0,1,0,0,0|2,1,0]=4 1258 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,0,1,0,0,0|3,0,0]=4 1259 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,0,1,0,0,0|2,0,1]=4 1260 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,0,1,0,0,0|1,0,2]=4 1261 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,0,1,0,0,0|1,0,2]=4 1262 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,0|1,1,1]=4 1263 B12R2.6 O=C1C=C(CC1)c2cccs2 271570a_100010737933_100011215356 [0,0,0,1,0,0|1,0,1]=3 1264 B12R2.6 O=C1C=C(CC1)c2cncs2 271570a_100010737933_100011934649 [0,0,0,1,0,0|2,0,1]=4 1265 B12R2.6 O=C1C=C(CC1)c2nccs2 271570a_100010737933_100000211983 [0,0,0,1,0,0|2,0,1]=4 1266 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,0,0,1,0,0|2,1,0]=4 1267 B12R2.136 O=C1CC(C1)Sc2cccs2 62a_100009894365_100011215356 [0,0,0,1,0,0|2,0,0]=3 1268 B12R2.136 O=C1CC(C1)Sc2cncs2 62a_100009894365_100011934649 [0,0,0,1,0,0|3,0,0]=4 1269 B12R2.136 O=C1CC(C1)Sc2nccs2 62a_100009894365_100000211983 [0,0,0,1,0,0|3,0,0]=4 1270 B12R2.2383 c1csc(c1)CNCC2CO2 2230a_100000211653_100011216344 [0,0,0,1,0,0|2,0,1]=4 1271 B12R2.2383 c1csc(c1)COCC2CO2 34a_100000211240_102125554688 [0,0,0,1,0,0|2,0,1]=4 1272 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100000732470_100011215356 [0,0,0,1,0,0|2,0,1]=4 1273 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100011215356_100000732470 [0,0,0,1,0,0|2,0,1]=4 1274 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,1,0|3,0,0]=4 1275 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,1,0|3,0,0]=4 1276 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,0,0,0,1,0|3,0,0]=4 1277 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,0,0,0,1,0|3,0,0]=4 1278 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,1,0|1,0,2]=4 1279 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,1,0|3,0,0]=4 1280 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,1,0|3,0,0]=4 1281 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,1,0|2,0,0]=3 1282 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,1,0|1,1,0]=3 1283 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,1,0|1,0,0]=2 1284 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,1,0|1,0,0]=2 1285 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,1,0|3,0,0]=4 1286 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,1,0|3,0,0]=4 1287 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,1,0|2,0,0]=3 1288 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,1,0|3,0,0]=4 1289 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,1,0|2,0,0]=3 1290 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,1,0|3,0,0]=4 1291 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,1,0|3,0,0]=4 1292 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,1,0|3,0,0]=4 1293 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,1,0|3,0,0]=4 1294 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,1,0|3,0,0]=4 1295 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,1,0|3,0,0]=4 1296 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,1,0|3,0,0]=4 1297 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,1,0|2,1,0]=4 1298 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,1,0|2,1,0]=4 1299 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,1,0|2,1,0]=4 1300 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,1,0|2,1,0]=4 1301 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 1302 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 1303 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,1,0|2,0,0]=3 1304 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,1,0|2,0,0]=3 1305 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,1,0|3,0,0]=4 1306 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,1,0|3,0,0]=4 1307 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,1,0|3,0,0]=4 1308 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,1,0|3,0,0]=4 1309 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,1,0|3,0,0]=4 1310 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,1,0|3,0,0]=4 1311 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,1,0|3,0,0]=4 1312 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,1,0|2,0,1]=4 1313 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,1,0|2,0,1]=4 1314 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,1,0|3,0,0]=4 1315 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,1,0|3,0,0]=4 1316 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,1,0|2,0,1]=4 1317 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,1,0|2,0,1]=4 1318 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,1,0|2,1,0]=4 1319 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,1,0|2,1,0]=4 1320 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,1,0|2,0,0]=3 1321 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,1,0|2,0,0]=3 1322 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,0,0,0,1,0|3,0,0]=4 1323 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,0,0,0,1,0|3,0,0]=4 1324 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,1,0|3,0,0]=4 1325 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,1,0|3,0,0]=4 1326 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,1,0|1,1,1]=4 1327 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,1,0|1,1,1]=4 1328 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,1,0|1,0,1]=3 1329 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,1,0|1,0,1]=3 1330 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [0,0,0,0,1,0|2,0,1]=4 1331 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [0,0,0,0,1,0|2,0,1]=4 1332 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,1,0|2,0,1]=4 1333 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,1,0|2,0,1]=4 1334 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,0,0,0,1,0|2,0,1]=4 1335 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,1,0|1,0,2]=4 1336 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,1,0|3,0,0]=4 1337 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,1,0|2,0,0]=3 1338 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,1,0|1,1,0]=3 1339 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,1,0|1,0,0]=2 1340 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,1,0|3,0,0]=4 1341 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,1,0|3,0,0]=4 1342 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,1,0|2,0,0]=3 1343 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,1,0|3,0,0]=4 1344 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,1,0|2,0,0]=3 1345 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,1,0|3,0,0]=4 1346 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,1,0|3,0,0]=4 1347 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|2,0,0]=3 1348 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|2,0,0]=3 1349 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,1|2,0,0]=3 1350 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,1|2,0,0]=3 1351 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|3,0,0]=4 1352 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|3,0,0]=4 1354 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,1|3,0,0]=4 1355 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|3,0,0]=4 1356 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|3,0,0]=4 1357 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|3,0,0]=4 1358 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|3,0,0]=4 1359 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,1|3,0,0]=4 1360 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,1|3,0,0]=4 1361 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,1|3,0,0]=4 1362 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,1|3,0,0]=4 1363 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,1|3,0,0]=4 1364 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,1|3,0,0]=4 1365 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,1|3,0,0]=4 1366 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,1|3,0,0]=4 1367 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,1|3,0,0]=4 1368 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,1|3,0,0]=4 1369 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,1|3,0,0]=4 1370 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,1|3,0,0]=4 1371 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,1|3,0,0]=4 1372 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,1|3,0,0]=4 1373 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|3,0,0]=4 1374 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|3,0,0]=4 1375 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,1|3,0,0]=4 1376 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,1|3,0,0]=4 1377 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,1|3,0,0]=4 1378 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,1|3,0,0]=4 1379 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,1|3,0,0]=4 1380 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|3,0,0]=4 1381 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|3,0,0]=4 1382 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,1|3,0,0]=4 1383 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1384 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1385 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|3,0,0]=4 1386 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|3,0,0]=4 1387 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1388 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,1|3,0,0]=4 1391 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1393 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 1394 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,1|3,0,0]=4 1395 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1396 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1397 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 1398 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,1|3,0,0]=4 1399 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1400 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1401 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,1|3,0,0]=4 1402 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,1|3,0,0]=4 1403 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,1|3,0,0]=4 1404 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,1|3,0,0]=4 1405 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,1|3,0,0]=4 1406 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,1|3,0,0]=4 1407 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,1|3,0,0]=4 1408 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,1|3,0,0]=4 1409 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,1|3,0,0]=4 1410 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,1|3,0,0]=4 1411 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,1|3,0,0]=4 1412 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,1|3,0,0]=4 1413 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,1|3,0,0]=4 1414 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,1|3,0,0]=4 1415 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,1|3,0,0]=4 1416 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,1|3,0,0]=4 1417 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,1|3,0,0]=4 1418 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,1|3,0,0]=4 1419 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,1|3,0,0]=4 1420 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,1|3,0,0]=4 1421 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,1|3,0,0]=4 1422 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,1|3,0,0]=4 1423 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,1|3,0,0]=4 1424 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,1|3,0,0]=4 1425 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,1|3,0,0]=4 1426 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,1|3,0,0]=4 1427 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,1|3,0,0]=4 1428 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,1|3,0,0]=4 1429 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|3,0,0]=4 1430 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|3,0,0]=4 1431 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|3,0,0]=4 1432 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,1|3,0,0]=4 1433 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,1|3,0,0]=4 1434 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,1|3,0,0]=4 1435 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,1|3,0,0]=4 1436 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,1|3,0,0]=4 1437 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,1|3,0,0]=4 1438 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,1|3,0,0]=4 1439 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|3,0,0]=4 1440 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|3,0,0]=4 1441 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|3,0,0]=4 1442 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|3,0,0]=4 1443 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,1|3,0,0]=4 1444 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,1|3,0,0]=4 1445 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,1|3,0,0]=4 1446 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,1|3,0,0]=4 1447 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,1|3,0,0]=4 1448 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,1|3,0,0]=4 1449 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,1|3,0,0]=4 1450 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,1|3,0,0]=4 1451 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,1|3,0,0]=4 1452 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,1|3,0,0]=4 1453 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,1|3,0,0]=4 1454 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,1|3,0,0]=4 1455 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|2,0,0]=3 1456 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|2,0,0]=3 1457 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|2,0,0]=3 1458 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,1|2,0,0]=3 1459 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|2,0,0]=3 1460 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,1|2,0,0]=3 1461 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,1|3,0,0]=4 1462 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,1|2,0,0]=3 1463 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|2,0,1]=4 1464 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|2,0,1]=4 1465 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|2,0,1]=4 1466 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|2,0,1]=4 1467 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,1|2,0,1]=4 1468 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,1|2,0,1]=4 1469 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,1|2,0,1]=4 1470 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,1|2,0,1]=4 1471 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,1|2,0,1]=4 1472 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,1|2,0,1]=4 1473 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,1|2,0,1]=4 1474 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,1|2,0,1]=4 1475 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,1|2,0,1]=4 1476 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,1|2,0,1]=4 1477 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,1|2,0,1]=4 1478 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,1|2,0,1]=4 1479 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|2,0,0]=3 1480 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,1|2,0,0]=3 1481 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,1|2,0,0]=3 1482 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|3,0,0]=4 1483 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|3,0,0]=4 1484 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|3,0,0]=4 1485 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|3,0,0]=4 1486 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,1|3,0,0]=4 1487 B12R1.255 C=C(Br)CCOCc1cncs1 34a_100009813270_100015185245 [0,0,0,0,0,1|3,0,0]=4 1488 B12R1.255 C=C(Br)CCOCc1nccs1 34a_100009813270_100015184050 [0,0,0,0,0,1|3,0,0]=4 1489 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,0,0,0,0,1|2,1,0]=4 1490 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,0,0,0,0,1|2,1,0]=4 1491 B12R1.255 C=C(C)CCNCc1cccs1 2230a_100000211653_100000730704 [0,0,0,0,0,1|2,0,0]=3 1492 B12R1.255 C=C(C)CCNCc1cncs1 2230a_100016987365_100000730704 [0,0,0,0,0,1|3,0,0]=4 1493 B12R1.255 C=C(C)CCNCc1nccs1 2230a_100000740555_100000730704 [0,0,0,0,0,1|3,0,0]=4 1494 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [0,0,0,0,0,1|2,1,0]=4 1495 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [0,0,0,0,0,1|2,0,0]=3 1496 B12R1.255 C=C(C)CCOCc1cncs1 34a_100000764851_100015185245 [0,0,0,0,0,1|3,0,0]=4 1497 B12R1.255 C=C(C)CCOCc1nccs1 34a_100000764851_100015184050 [0,0,0,0,0,1|3,0,0]=4 1498 B12R1.255 C=C(C)CCSCc1cncs1 62a_100000730704_100015185245 [0,0,0,0,0,1|3,0,0]=4 1499 B12R1.255 C=C(C)CCSCc1cncs1 62a_100015185245_100000730704 [0,0,0,0,0,1|3,0,0]=4 1500 B12R1.255 C=C(C)CCSCc1nccs1 62a_100000730704_100015184050 [0,0,0,0,0,1|3,0,0]=4 1501 B12R1.255 C=C(C)CCSCc1nccs1 62a_100015184050_100000730704 [0,0,0,0,0,1|3,0,0]=4 1502 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,0,0,0,0,1|2,1,0]=4 1503 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,0,0,0,0,1|2,1,0]=4 1504 B12R1.255 C=C(C)CNCCc1cccs1 2230a_100000203755_100000748629 [0,0,0,0,0,1|2,0,0]=3 1505 B12R1.255 C=C(C)CNCCc1cccs1 34a_100000203755_100000748629 [0,0,0,0,0,1|2,0,0]=3 1506 B12R1.255 C=C(C)CNCCc1cncs1 2230a_100016991637_100000748629 [0,0,0,0,0,1|3,0,0]=4 1507 B12R1.255 C=C(C)CNCCc1nccs1 2230a_100015186391_100000748629 [0,0,0,0,0,1|3,0,0]=4 1508 B12R1.255 C=C(C)COCCc1cccs1 34a_100000210245_100000748579 [0,0,0,0,0,1|2,0,0]=3 1509 B12R1.255 C=C(C)COCCc1cccs1 34a_100011216825_100000748629 [0,0,0,0,0,1|2,0,0]=3 1510 B12R1.255 C=C(C)COCCc1cccs1 7a_100011216825_100000748629 [0,0,0,0,0,1|2,0,0]=3 1511 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748579_100000211660 [0,0,0,0,0,1|2,0,0]=3 1512 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748629_100000748579 [0,0,0,0,0,1|2,0,0]=3 1513 B12R1.255 C=C(F)CNCCc1ccco1 2230a_100000694680_100009893438 [0,0,0,0,0,1|2,1,0]=4 1514 B12R1.255 C=C(F)CNCCc1ccco1 34a_100000694680_100009893438 [0,0,0,0,0,1|2,1,0]=4 1515 B12R1.255 C=C(F)CNCCc1cccs1 2230a_100000203755_100009893438 [0,0,0,0,0,1|2,0,0]=3 1516 B12R1.255 C=C(F)CNCCc1cccs1 34a_100000203755_100009893438 [0,0,0,0,0,1|2,0,0]=3 1517 B12R1.255 C=C(F)CNCCc1cncs1 2230a_100016991637_100009893438 [0,0,0,0,0,1|3,0,0]=4 1518 B12R1.255 C=C(F)CNCCc1nccs1 2230a_100015186391_100009893438 [0,0,0,0,0,1|3,0,0]=4 1519 B12R1.255 C=C(F)COCCc1cccs1 34a_100011216825_100009893438 [0,0,0,0,0,1|2,0,0]=3 1520 B12R1.255 C=C(F)COCCc1cccs1 34a_200010262243_100000748579 [0,0,0,0,0,1|2,0,0]=3 1521 B12R1.255 C=C(F)COCCc1cccs1 7a_100011216825_100000042424 [0,0,0,0,0,1|2,0,0]=3 1522 B12R1.255 C=C(F)CSCCc1cccs1 62a_100000042424_100000748579 [0,0,0,0,0,1|2,0,0]=3 1523 B12R1.255 C=C(F)CSCCc1cccs1 62a_100000748579_100000042424 [0,0,0,0,0,1|2,0,0]=3 1524 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011215356_100011217483 [0,0,0,0,0,1|2,0,1]=4 1525 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011217483_100011215356 [0,0,0,0,0,1|2,0,1]=4 1526 B12R1.255 CC(=CCNCc1cccs1)C 2230a_100000211653_100000761012 [0,0,0,0,0,1|2,0,1]=4 1527 B12R1.255 CC(=CCNCc1cccs1)C 270004a_100000718196_100000209959 [0,0,0,0,0,1|2,0,1]=4 1528 B12R1.255 CC(=CCOCc1cccs1)C 34a_100000211240_100000761012 [0,0,0,0,0,1|2,0,1]=4 1529 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,0,0,0,0,1|1,0,0]=2 1530 B12R1.255 CC(=O)CCCOc1ccsc1 34a_100000106738_100000685027 [0,0,0,0,0,1|3,0,0]=4 1531 B12R1.255 CC(=O)CCCOc1ccsc1 7a_100000106738_100011215641 [0,0,0,0,0,1|3,0,0]=4 1532 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011215641 [0,0,0,0,0,1|3,0,0]=4 1533 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100011215641_100000756875 [0,0,0,0,0,1|3,0,0]=4 1534 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011215641 [0,0,0,0,0,1|3,0,0]=4 1535 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100011215641_100000062575 [0,0,0,0,0,1|3,0,0]=4 1536 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,1|1,1,0]=3 1537 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,1|1,1,0]=3 1538 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,0,0,0,0,1|1,0,0]=2 1539 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,0,0,0,0,1|1,0,0]=2 1540 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215275_100011215641 [0,0,0,0,0,1|3,0,0]=4 1541 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215641_100011215275 [0,0,0,0,0,1|3,0,0]=4 1542 B12R1.255 CC(=O)CCCSc1ccon1 62a_100009818083_100011215641 [0,0,0,0,0,1|3,0,0]=4 1543 B12R1.255 CC(=O)CCCSc1ccon1 62a_100011215641_100009818083 [0,0,0,0,0,1|3,0,0]=4 1544 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100000738268_100011215641 [0,0,0,0,0,1|3,0,0]=4 1545 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100011215641_100000738268 [0,0,0,0,0,1|3,0,0]=4 1546 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100009818082_100011215641 [0,0,0,0,0,1|3,0,0]=4 1547 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100011215641_100009818082 [0,0,0,0,0,1|3,0,0]=4 1548 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,0,0,0,0,1|2,1,0]=4 1549 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,0,0,0,0,1|2,1,0]=4 1550 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011215641_100011934649 [0,0,0,0,0,1|2,0,0]=3 1551 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011934649_100011215641 [0,0,0,0,0,1|2,0,0]=3 1552 B12R1.255 CC(=O)CCCSc1cscn1 62a_100000751502_100011215641 [0,0,0,0,0,1|3,0,0]=4 1553 B12R1.255 CC(=O)CCCSc1cscn1 62a_100011215641_100000751502 [0,0,0,0,0,1|3,0,0]=4 1554 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100011215641_100025796157 [0,0,0,0,0,1|3,0,0]=4 1555 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011215641 [0,0,0,0,0,1|3,0,0]=4 1556 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,0,0,0,0,1|2,1,0]=4 1557 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,0,0,0,0,1|2,1,0]=4 1558 B12R1.255 CC(=O)CCCSc1nccs1 62a_100000211983_100011215641 [0,0,0,0,0,1|2,0,0]=3 1559 B12R1.255 CC(=O)CCCSc1nccs1 62a_100011215641_100000211983 [0,0,0,0,0,1|2,0,0]=3 1560 B12R1.255 CC(=O)CCCSc1ncns1 62a_100000693119_100011215641 [0,0,0,0,0,1|3,0,0]=4 1561 B12R1.255 CC(=O)CCCSc1ncns1 62a_100011215641_100000693119 [0,0,0,0,0,1|3,0,0]=4 1562 B12R1.255 CC(=O)CCCSc1nncs1 62a_100000739804_100011215641 [0,0,0,0,0,1|3,0,0]=4 1563 B12R1.255 CC(=O)CCCSc1nncs1 62a_100011215641_100000739804 [0,0,0,0,0,1|3,0,0]=4 1564 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,1|3,0,0]=4 1565 B12R1.255 CC(=O)CCOCc1ccn[nH]1 34a_100000759926_100000728653 [0,0,0,0,0,1|3,0,0]=4 1566 B12R1.255 CC(=O)CCOCc1ccn[nH]1 7a_100000759926_100000728653 [0,0,0,0,0,1|3,0,0]=4 1567 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [0,0,0,0,0,1|3,0,0]=4 1568 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [0,0,0,0,0,1|3,0,0]=4 1569 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,0,0,0,1|3,0,0]=4 1570 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,0,0,0,1|3,0,0]=4 1571 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [0,0,0,0,0,1|2,0,0]=3 1572 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [0,0,0,0,0,1|2,0,0]=3 1573 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,1|3,0,0]=4 1574 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,1|3,0,0]=4 1575 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [0,0,0,0,0,1|3,0,0]=4 1576 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [0,0,0,0,0,1|3,0,0]=4 1577 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,0,0,0,0,1|2,1,0]=4 1578 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,0,0,0,0,1|2,1,0]=4 1579 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [0,0,0,0,0,1|2,0,0]=3 1580 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [0,0,0,0,0,1|2,0,0]=3 1581 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [0,0,0,0,0,1|3,0,0]=4 1582 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [0,0,0,0,0,1|3,0,0]=4 1583 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000053229_100000728653 [0,0,0,0,0,1|3,0,0]=4 1584 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000053229 [0,0,0,0,0,1|3,0,0]=4 1585 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000053229_100000234950 [0,0,0,0,0,1|3,0,0]=4 1586 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000234950_100000053229 [0,0,0,0,0,1|3,0,0]=4 1587 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [0,0,0,0,0,1|3,0,0]=4 1588 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [0,0,0,0,0,1|3,0,0]=4 1589 B12R1.255 CC(=O)CCSCc1cncs1 62a_100000053229_100015185245 [0,0,0,0,0,1|2,0,0]=3 1590 B12R1.255 CC(=O)CCSCc1cncs1 62a_100015185245_100000053229 [0,0,0,0,0,1|2,0,0]=3 1591 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [0,0,0,0,0,1|3,0,0]=4 1592 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [0,0,0,0,0,1|3,0,0]=4 1593 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100000053229_100016991755 [0,0,0,0,0,1|3,0,0]=4 1594 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000053229 [0,0,0,0,0,1|3,0,0]=4 1595 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,0,0,0,0,1|2,1,0]=4 1596 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,0,0,0,0,1|2,1,0]=4 1597 B12R1.255 CC(=O)CCSCc1nccs1 62a_100000053229_100015184050 [0,0,0,0,0,1|2,0,0]=3 1598 B12R1.255 CC(=O)CCSCc1nccs1 62a_100015184050_100000053229 [0,0,0,0,0,1|2,0,0]=3 1599 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,0,0,0,0,1|1,0,0]=2 1600 B12R1.255 CC(=O)COCCn1cccn1 34a_100000211253_100015204718 [0,0,0,0,0,1|3,0,0]=4 1601 B12R1.255 CC(=O)NCCCn1cccn1 11a_100000737576_100015343762 [0,0,0,0,0,1|3,0,0]=4 1602 B12R1.255 CC(=O)NCCCn1cccn1 240690a_100000737576_100015343762 [0,0,0,0,0,1|3,0,0]=4 1603 B12R1.255 CC(=O)NCCCn1cccn1 527a_100000737576_100103153847 [0,0,0,0,0,1|3,0,0]=4 1604 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,1|2,1,0]=4 1605 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,1|2,1,0]=4 1606 B12R1.255 CC(=O)NCCSc1cccs1 62a_100000189650_100011215356 [0,0,0,0,0,1|2,0,0]=3 1607 B12R1.255 CC(=O)NCCSc1cccs1 62a_100011215356_100000189650 [0,0,0,0,0,1|2,0,0]=3 1608 B12R1.255 CC(=O)NCCSc1cncs1 62a_100000189650_100011934649 [0,0,0,0,0,1|3,0,0]=4 1609 B12R1.255 CC(=O)NCCSc1cncs1 62a_100011934649_100000189650 [0,0,0,0,0,1|3,0,0]=4 1610 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000189650_100000211983 [0,0,0,0,0,1|3,0,0]=4 1611 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000211983_100000189650 [0,0,0,0,0,1|3,0,0]=4 1612 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,0,0,0,0,1|1,0,2]=4 1613 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,1|2,1,0]=4 1614 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,1|2,1,0]=4 1615 B12R1.255 CC(=O)OCCSc1cccs1 62a_100009814007_100011215356 [0,0,0,0,0,1|2,0,0]=3 1616 B12R1.255 CC(=O)OCCSc1cccs1 62a_100011215356_100009814007 [0,0,0,0,0,1|2,0,0]=3 1617 B12R1.255 CC(=O)OCCSc1cncs1 62a_100009814007_100011934649 [0,0,0,0,0,1|3,0,0]=4 1618 B12R1.255 CC(=O)OCCSc1cncs1 62a_100011934649_100009814007 [0,0,0,0,0,1|3,0,0]=4 1619 B12R1.255 CC(=O)OCCSc1nccs1 62a_100000211983_100009814007 [0,0,0,0,0,1|3,0,0]=4 1620 B12R1.255 CC(=O)OCCSc1nccs1 62a_100009814007_100000211983 [0,0,0,0,0,1|3,0,0]=4 1621 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,1|2,1,0]=4 1622 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,1|2,1,0]=4 1623 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [0,0,0,0,0,1|2,0,0]=3 1624 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [0,0,0,0,0,1|3,0,0]=4 1625 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [0,0,0,0,0,1|3,0,0]=4 1626 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [0,0,0,0,0,1|3,0,0]=4 1627 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [0,0,0,0,0,1|3,0,0]=4 1628 B12R1.255 CC(Br)COCCc1cccs1 34a_100012180447_100000748579 [0,0,0,0,0,1|2,0,1]=4 1629 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [0,0,0,0,0,1|2,0,1]=4 1630 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [0,0,0,0,0,1|2,0,1]=4 1631 B12R1.255 CC(C)CCNCc1cccs1 207a_100000210545_100000209959 [0,0,0,0,0,1|2,0,1]=4 1632 B12R1.255 CC(C)CCNCc1cccs1 2230a_100000211653_100000210312 [0,0,0,0,0,1|2,0,1]=4 1633 B12R1.255 CC(C)CCNCc1cccs1 269862a_100000211653_100000185833 [0,0,0,0,0,1|2,0,1]=4 1634 B12R1.255 CC(C)CCNCc1cccs1 270004a_100000210545_100000209959 [0,0,0,0,0,1|2,0,1]=4 1635 B12R1.255 CC(C)CCOCc1cccs1 34a_100000211240_100000210312 [0,0,0,0,0,1|2,0,1]=4 1636 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000203755_100000210760 [0,0,0,0,0,1|2,0,1]=4 1637 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000210953_100000748579 [0,0,0,0,0,1|2,0,1]=4 1638 B12R1.255 CC(C)CNCCc1cccs1 270004a_100000203755_100000210432 [0,0,0,0,0,1|2,0,1]=4 1639 B12R1.255 CC(C)CNCCc1cccs1 34a_100000203755_100000210624 [0,0,0,0,0,1|2,0,1]=4 1640 B12R1.255 CC(C)CNCCc1cccs1 34a_100000210953_100000748579 [0,0,0,0,0,1|2,0,1]=4 1641 B12R1.255 CC(C)COCCc1cccs1 34a_100000210257_100000748579 [0,0,0,0,0,1|2,0,1]=4 1642 B12R1.255 CC(C)COCCc1cccs1 34a_100011216825_100000210624 [0,0,0,0,0,1|2,0,1]=4 1643 B12R1.255 CC(C)COCCc1cccs1 7a_100011216825_100000210760 [0,0,0,0,0,1|2,0,1]=4 1644 B12R1.255 CC(C)CSCCc1cccs1 62a_100000210624_100000748579 [0,0,0,0,0,1|2,0,1]=4 1645 B12R1.255 CC(C)CSCCc1cccs1 62a_100000748579_100000210760 [0,0,0,0,0,1|2,0,1]=4 1646 B12R1.255 CC(C)NCCCc1cccs1 2230a_100138425928_100010992444 [0,0,0,0,0,1|2,0,1]=4 1647 B12R1.255 CC(C)NCCCc1cccs1 34a_100138425928_100010992444 [0,0,0,0,0,1|2,0,1]=4 1648 B12R1.255 CC(C)OCCCc1cccs1 34a_100000212225_100010992444 [0,0,0,0,0,1|2,0,1]=4 1649 B12R1.255 CC(C)OCCCc1cccs1 34a_100011713143_100000210206 [0,0,0,0,0,1|2,0,1]=4 1650 B12R1.255 CC(C)OCCCc1cccs1 7a_100011713143_100000210206 [0,0,0,0,0,1|2,0,1]=4 1651 B12R1.255 CC(C)SCCCc1cccs1 62a_100000210206_100010992444 [0,0,0,0,0,1|2,0,1]=4 1652 B12R1.255 CC(C)SCCCc1cccs1 62a_100010992444_100000210206 [0,0,0,0,0,1|2,0,1]=4 1653 B12R1.255 CC(F)COCCc1cccs1 34a_100015925927_100000748579 [0,0,0,0,0,1|2,0,1]=4 1654 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,0,0,0,0,1|1,1,1]=4 1655 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,0,0,0,0,1|1,1,1]=4 1656 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [0,0,0,0,0,1|1,0,1]=3 1657 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [0,0,0,0,0,1|1,0,1]=3 1658 B12R1.255 CC(O)CCCSc1cncs1 62a_100011934649_200000718107 [0,0,0,0,0,1|2,0,1]=4 1659 B12R1.255 CC(O)CCCSc1cncs1 62a_200000718107_100011934649 [0,0,0,0,0,1|2,0,1]=4 1660 B12R1.255 CC(O)CCCSc1nccs1 62a_100000211983_200000718107 [0,0,0,0,0,1|2,0,1]=4 1661 B12R1.255 CC(O)CCCSc1nccs1 62a_200000718107_100000211983 [0,0,0,0,0,1|2,0,1]=4 1662 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,0,0,0,0,1|1,1,1]=4 1663 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,0,0,0,0,1|1,1,1]=4 1664 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,0,0,0,0,1|1,1,1]=4 1665 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,0,0,0,0,1|1,1,1]=4 1666 B12R1.255 CC(O)CCNCc1cccs1 207a_200000755665_100000209959 [0,0,0,0,0,1|1,0,1]=3 1667 B12R1.255 CC(O)CCNCc1cccs1 2230a_100000211653_100012276601 [0,0,0,0,0,1|1,0,1]=3 1668 B12R1.255 CC(O)CCNCc1cccs1 270004a_200000755665_100000209959 [0,0,0,0,0,1|1,0,1]=3 1669 B12R1.255 CC(O)CCNCc1cncs1 207a_200000755665_100000749870 [0,0,0,0,0,1|2,0,1]=4 1670 B12R1.255 CC(O)CCNCc1cncs1 2230a_100016987365_100012276601 [0,0,0,0,0,1|2,0,1]=4 1671 B12R1.255 CC(O)CCNCc1cncs1 2230a_200000755665_100015185245 [0,0,0,0,0,1|2,0,1]=4 1672 B12R1.255 CC(O)CCNCc1cncs1 270004a_200000755665_100000749870 [0,0,0,0,0,1|2,0,1]=4 1673 B12R1.255 CC(O)CCNCc1nccs1 207a_200000755665_100000750902 [0,0,0,0,0,1|2,0,1]=4 1674 B12R1.255 CC(O)CCNCc1nccs1 2230a_100000740555_100012276601 [0,0,0,0,0,1|2,0,1]=4 1675 B12R1.255 CC(O)CCNCc1nccs1 2230a_200000755665_100015184050 [0,0,0,0,0,1|2,0,1]=4 1676 B12R1.255 CC(O)CCNCc1nccs1 270004a_200000755665_100000750902 [0,0,0,0,0,1|2,0,1]=4 1677 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,0,0,0,0,1|1,1,1]=4 1678 B12R1.255 CC(O)CCOCc1cccs1 34a_100000211240_100012276601 [0,0,0,0,0,1|1,0,1]=3 1679 B12R1.255 CC(O)CCSCc1cncs1 62a_100012276601_100015185245 [0,0,0,0,0,1|2,0,1]=4 1680 B12R1.255 CC(O)CCSCc1cncs1 62a_100015185245_100012276601 [0,0,0,0,0,1|2,0,1]=4 1681 B12R1.255 CC(O)CCSCc1nccs1 62a_100012276601_100015184050 [0,0,0,0,0,1|2,0,1]=4 1682 B12R1.255 CC(O)CCSCc1nccs1 62a_100015184050_100012276601 [0,0,0,0,0,1|2,0,1]=4 1683 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,0,0,0,0,1|1,1,1]=4 1684 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,0,0,0,0,1|1,1,1]=4 1685 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000203755_100011218427 [0,0,0,0,0,1|1,0,1]=3 1686 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000210904_100000748579 [0,0,0,0,0,1|1,0,1]=3 1687 B12R1.255 CC(O)CNCCc1cccs1 34a_100000203755_100011218427 [0,0,0,0,0,1|1,0,1]=3 1688 B12R1.255 CC(O)CNCCc1cccs1 34a_100000210904_100000748579 [0,0,0,0,0,1|1,0,1]=3 1689 B12R1.255 CC(O)CNCCc1cncs1 2230a_100016991637_100011218427 [0,0,0,0,0,1|2,0,1]=4 1690 B12R1.255 CC(O)CNCCc1nccs1 2230a_100015186391_100011218427 [0,0,0,0,0,1|2,0,1]=4 1691 B12R1.255 CC(O)COCCc1cccs1 34a_100011216825_100011218427 [0,0,0,0,0,1|1,0,1]=3 1692 B12R1.255 CC(O)COCCc1cccs1 7a_100011216825_100011218427 [0,0,0,0,0,1|1,0,1]=3 1693 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [0,0,0,0,0,1|1,0,1]=3 1694 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [0,0,0,0,0,1|1,0,1]=3 1695 B12R1.255 CN(C)CCCSc1cccs1 62a_100011215356_100000757444 [0,0,0,0,0,1|3,0,0]=4 1696 B12R1.255 CN(C)CCNCc1cccs1 207a_100000210585_100000209959 [0,0,0,0,0,1|3,0,0]=4 1697 B12R1.255 CN(C)CCNCc1cccs1 270004a_100000210585_100000209959 [0,0,0,0,0,1|3,0,0]=4 1698 B12R1.255 C[C@@H](Cl)COCCc1cccs1 34a_100016084084_100000748579 [0,0,0,0,0,1|2,0,1]=4 1699 B12R1.255 C[C@@H](N)COCCc1cccs1 34a_100000737577_100000748579 [0,0,0,0,0,1|2,0,1]=4 1700 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,0,0,0,0,1|1,1,1]=4 1701 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,0,0,0,0,1|1,1,1]=4 1702 B12R1.255 C[C@@H](O)CNCCc1cccs1 2230a_100000203755_100009817552 [0,0,0,0,0,1|1,0,1]=3 1703 B12R1.255 C[C@@H](O)CNCCc1cccs1 34a_100000203755_100009817552 [0,0,0,0,0,1|1,0,1]=3 1704 B12R1.255 C[C@@H](O)CNCCc1cncs1 2230a_100016991637_100009817552 [0,0,0,0,0,1|2,0,1]=4 1705 B12R1.255 C[C@@H](O)CNCCc1nccs1 2230a_100015186391_100009817552 [0,0,0,0,0,1|2,0,1]=4 1706 B12R1.255 C[C@@H](O)COCCc1cccs1 34a_100011216825_100009817552 [0,0,0,0,0,1|1,0,1]=3 1707 B12R1.255 C[C@@H](O)COCCc1cccs1 7a_100011216825_100009817552 [0,0,0,0,0,1|1,0,1]=3 1708 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [0,0,0,0,0,1|1,0,1]=3 1709 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [0,0,0,0,0,1|1,0,1]=3 1710 B12R1.255 FC(=CCCSc1cccs1)F 62a_100011215356_200009816681 [0,0,0,0,0,1|2,0,1]=4 1711 B12R1.255 FC(=CCCSc1cccs1)F 62a_200009816681_100011215356 [0,0,0,0,0,1|2,0,1]=4 1712 B12R1.255 FC(F)CNCCc1cccs1 2230a_100000203755_100011934356 [0,0,0,0,0,1|2,0,1]=4 1713 B12R1.255 FC(F)CNCCc1cccs1 34a_100000203755_100011934356 [0,0,0,0,0,1|2,0,1]=4 1714 B12R1.255 FC(F)CNCCc1cccs1 34a_100000765723_100000748579 [0,0,0,0,0,1|2,0,1]=4 1715 B12R1.255 FC(F)COCCc1cccs1 34a_100000743014_100000748579 [0,0,0,0,0,1|2,0,1]=4 1716 B12R1.255 FC(F)COCCc1cccs1 34a_100011216825_100011934356 [0,0,0,0,0,1|2,0,1]=4 1717 B12R1.255 FC(F)COCCc1cccs1 7a_100011216825_100011934356 [0,0,0,0,0,1|2,0,1]=4 1718 B12R1.255 FC(F)CSCCc1cccs1 62a_100000748579_100011934356 [0,0,0,0,0,1|2,0,1]=4 1719 B12R1.255 FC(F)CSCCc1cccs1 62a_100011934356_100000748579 [0,0,0,0,0,1|2,0,1]=4 1720 B12R1.255 NC(=O)CCCNc1ncns1 27a_100000739312_100000693119 [0,0,0,0,0,1|3,0,0]=4 1721 B12R1.255 NC(=O)CCCNc1nncs1 27a_100000739312_100000739804 [0,0,0,0,0,1|3,0,0]=4 1722 B12R1.255 NC(=O)CCCOc1ccsc1 34a_100000106738_100102525003 [0,0,0,0,0,1|3,0,0]=4 1723 B12R1.255 NC(=O)CCCOc1ccsc1 7a_100000106738_100102525003 [0,0,0,0,0,1|3,0,0]=4 1724 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100000756875_100102525003 [0,0,0,0,0,1|3,0,0]=4 1725 B12R1.255 NC(=O)CCCSc1c[nH]cn1 62a_100102525003_100000756875 [0,0,0,0,0,1|3,0,0]=4 1726 B12R1.255 NC(=O)CCCSc1cc[nH]n1 62a_100000062575_100102525003 [0,0,0,0,0,1|3,0,0]=4 1727 B12R1.255 NC(=O)CCCSc1cc[nH]n1 62a_100102525003_100000062575 [0,0,0,0,0,1|3,0,0]=4 1728 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [0,0,0,0,0,1|1,1,0]=3 1729 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [0,0,0,0,0,1|1,1,0]=3 1730 B12R1.255 NC(=O)CCCSc1cccs1 62a_100011215356_100102525003 [0,0,0,0,0,1|1,0,0]=2 1731 B12R1.255 NC(=O)CCCSc1cccs1 62a_100102525003_100011215356 [0,0,0,0,0,1|1,0,0]=2 1732 B12R1.255 NC(=O)CCCSc1ccoc1 62a_100011215275_100102525003 [0,0,0,0,0,1|3,0,0]=4 1733 B12R1.255 NC(=O)CCCSc1ccoc1 62a_100102525003_100011215275 [0,0,0,0,0,1|3,0,0]=4 1734 B12R1.255 NC(=O)CCCSc1ccon1 62a_100009818083_100102525003 [0,0,0,0,0,1|3,0,0]=4 1735 B12R1.255 NC(=O)CCCSc1ccon1 62a_100102525003_100009818083 [0,0,0,0,0,1|3,0,0]=4 1736 B12R1.255 NC(=O)CCCSc1ccsc1 62a_100000738268_100102525003 [0,0,0,0,0,1|3,0,0]=4 1737 B12R1.255 NC(=O)CCCSc1ccsc1 62a_100102525003_100000738268 [0,0,0,0,0,1|3,0,0]=4 1738 B12R1.255 NC(=O)CCCSc1ccsn1 62a_100009818082_100102525003 [0,0,0,0,0,1|3,0,0]=4 1739 B12R1.255 NC(=O)CCCSc1ccsn1 62a_100102525003_100009818082 [0,0,0,0,0,1|3,0,0]=4 1740 B12R1.255 NC(=O)CCCSc1cnco1 62a_100020591547_100102525003 [0,0,0,0,0,1|2,1,0]=4 1741 B12R1.255 NC(=O)CCCSc1cnco1 62a_100102525003_100020591547 [0,0,0,0,0,1|2,1,0]=4 1742 B12R1.255 NC(=O)CCCSc1cncs1 62a_100011934649_100102525003 [0,0,0,0,0,1|2,0,0]=3 1743 B12R1.255 NC(=O)CCCSc1cncs1 62a_100102525003_100011934649 [0,0,0,0,0,1|2,0,0]=3 1744 B12R1.255 NC(=O)CCCSc1cscn1 62a_100000751502_100102525003 [0,0,0,0,0,1|3,0,0]=4 1745 B12R1.255 NC(=O)CCCSc1cscn1 62a_100102525003_100000751502 [0,0,0,0,0,1|3,0,0]=4 1746 B12R1.255 NC(=O)CCCSc1ncc[nH]1 62a_100025796157_100102525003 [0,0,0,0,0,1|3,0,0]=4 1747 B12R1.255 NC(=O)CCCSc1ncc[nH]1 62a_100102525003_100025796157 [0,0,0,0,0,1|3,0,0]=4 1748 B12R1.255 NC(=O)CCCSc1ncco1 62a_100011787736_100102525003 [0,0,0,0,0,1|2,1,0]=4 1749 B12R1.255 NC(=O)CCCSc1ncco1 62a_100102525003_100011787736 [0,0,0,0,0,1|2,1,0]=4 1750 B12R1.255 NC(=O)CCCSc1nccs1 62a_100000211983_100102525003 [0,0,0,0,0,1|2,0,0]=3 1751 B12R1.255 NC(=O)CCCSc1nccs1 62a_100102525003_100000211983 [0,0,0,0,0,1|2,0,0]=3 1752 B12R1.255 NC(=O)CCCSc1ncns1 62a_100000693119_100102525003 [0,0,0,0,0,1|3,0,0]=4 1753 B12R1.255 NC(=O)CCCSc1ncns1 62a_100102525003_100000693119 [0,0,0,0,0,1|3,0,0]=4 1754 B12R1.255 NC(=O)CCCSc1nncs1 62a_100000739804_100102525003 [0,0,0,0,0,1|3,0,0]=4 1755 B12R1.255 NC(=O)CCCSc1nncs1 62a_100102525003_100000739804 [0,0,0,0,0,1|3,0,0]=4 1756 B12R1.255 NC(=O)CCNCc1cc[nH]n1 207a_100000740010_100000738523 [0,0,0,0,0,1|3,0,0]=4 1757 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [0,0,0,0,0,1|1,1,0]=3 1758 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [0,0,0,0,0,1|1,1,0]=3 1759 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [0,0,0,0,0,1|1,1,0]=3 1760 B12R1.255 NC(=O)CCNCc1cccs1 207a_100000740010_100000209959 [0,0,0,0,0,1|1,0,0]=2 1761 B12R1.255 NC(=O)CCNCc1cccs1 2230a_100000211653_100000744528 [0,0,0,0,0,1|1,0,0]=2 1762 B12R1.255 NC(=O)CCNCc1ccoc1 207a_100000740010_100011215517 [0,0,0,0,0,1|3,0,0]=4 1763 B12R1.255 NC(=O)CCNCc1ccoc1 2230a_100015206860_100000744528 [0,0,0,0,0,1|3,0,0]=4 1764 B12R1.255 NC(=O)CCNCc1ccoc1 34a_100015206860_100000731001 [0,0,0,0,0,1|3,0,0]=4 1765 B12R1.255 NC(=O)CCNCc1ccsc1 207a_100000740010_100000188534 [0,0,0,0,0,1|3,0,0]=4 1766 B12R1.255 NC(=O)CCNCc1ccsc1 2230a_100000186416_100000744528 [0,0,0,0,0,1|3,0,0]=4 1767 B12R1.255 NC(=O)CCNCc1ccsc1 34a_100000186416_100000731001 [0,0,0,0,0,1|3,0,0]=4 1768 B12R1.255 NC(=O)CCNCc1cnc[nH]1 207a_100000740010_100000742939 [0,0,0,0,0,1|3,0,0]=4 1769 B12R1.255 NC(=O)CCNCc1cncs1 207a_100000740010_100000749870 [0,0,0,0,0,1|2,0,0]=3 1770 B12R1.255 NC(=O)CCNCc1cncs1 2230a_100016987365_100000744528 [0,0,0,0,0,1|2,0,0]=3 1771 B12R1.255 NC(=O)CCNCc1cscn1 207a_100000740010_100000743575 [0,0,0,0,0,1|3,0,0]=4 1772 B12R1.255 NC(=O)CCNCc1cscn1 2230a_100015185402_100000744528 [0,0,0,0,0,1|3,0,0]=4 1773 B12R1.255 NC(=O)CCNCc1ncc[nH]1 207a_100000740010_100000743867 [0,0,0,0,0,1|3,0,0]=4 1774 B12R1.255 NC(=O)CCNCc1ncco1 2230a_100016994969_100000744528 [0,0,0,0,0,1|2,1,0]=4 1775 B12R1.255 NC(=O)CCNCc1nccs1 207a_100000740010_100000750902 [0,0,0,0,0,1|2,0,0]=3 1776 B12R1.255 NC(=O)CCNCc1nccs1 2230a_100000740555_100000744528 [0,0,0,0,0,1|2,0,0]=3 1777 B12R1.255 NC(=O)CCOCc1c[nH]cn1 34a_100000757172_100000707719 [0,0,0,0,0,1|3,0,0]=4 1778 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [0,0,0,0,0,1|1,1,0]=3 1779 B12R1.255 NC(=O)CCOCc1cccs1 34a_100000211240_100000731001 [0,0,0,0,0,1|1,0,0]=2 1780 B12R1.255 NC(=O)CCOCc1ccn[nH]1 34a_100000757172_100000728653 [0,0,0,0,0,1|3,0,0]=4 1781 B12R1.255 NC(=O)CCOCc1ccn[nH]1 7a_100000757172_100000728653 [0,0,0,0,0,1|3,0,0]=4 1782 B12R1.255 NC(=O)CCOCc1ccno1 34a_100000740478_100000731001 [0,0,0,0,0,1|2,1,0]=4 1783 B12R1.255 NC(=O)CCOCc1ccoc1 34a_100011215357_100000731001 [0,0,0,0,0,1|3,0,0]=4 1784 B12R1.255 NC(=O)CCOCc1ccon1 34a_100000757172_100000234950 [0,0,0,0,0,1|3,0,0]=4 1785 B12R1.255 NC(=O)CCOCc1ccon1 7a_100000757172_100000234950 [0,0,0,0,0,1|3,0,0]=4 1786 B12R1.255 NC(=O)CCOCc1ccsc1 34a_100000757172_100011261437 [0,0,0,0,0,1|3,0,0]=4 1787 B12R1.255 NC(=O)CCOCc1ccsc1 34a_100011215551_100000731001 [0,0,0,0,0,1|3,0,0]=4 1788 B12R1.255 NC(=O)CCOCc1ccsc1 7a_100000757172_100011261437 [0,0,0,0,0,1|3,0,0]=4 1789 B12R1.255 NC(=O)CCOCc1cncs1 34a_100000757172_100015185245 [0,0,0,0,0,1|2,0,0]=3 1790 B12R1.255 NC(=O)CCOCc1cncs1 7a_100000757172_100015185245 [0,0,0,0,0,1|2,0,0]=3 1791 B12R1.255 NC(=O)CCOCc1cscn1 34a_100000757172_100000205941 [0,0,0,0,0,1|3,0,0]=4 1792 B12R1.255 NC(=O)CCOCc1cscn1 7a_100000757172_100000205941 [0,0,0,0,0,1|3,0,0]=4 1793 B12R1.255 NC(=O)CCOCc1ncc[nH]1 34a_100000757172_100016991755 [0,0,0,0,0,1|3,0,0]=4 1794 B12R1.255 NC(=O)CCOCc1ncc[nH]1 7a_100000757172_100000753453 [0,0,0,0,0,1|3,0,0]=4 1795 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000062594_100000731001 [0,0,0,0,0,1|2,1,0]=4 1796 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000757172_103436540062 [0,0,0,0,0,1|2,1,0]=4 1797 B12R1.255 NC(=O)CCOCc1ncco1 7a_100000757172_103436540062 [0,0,0,0,0,1|2,1,0]=4 1798 B12R1.255 NC(=O)CCOCc1nccs1 34a_100000757172_100015184050 [0,0,0,0,0,1|2,0,0]=3 1799 B12R1.255 NC(=O)CCOCc1nccs1 7a_100000757172_100015184050 [0,0,0,0,0,1|2,0,0]=3 1800 B12R1.255 NC(=O)CCOCn1cccn1 34a_100000731028_100000731001 [0,0,0,0,0,1|3,0,0]=4 1801 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000744528 [0,0,0,0,0,1|3,0,0]=4 1802 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000744528_100000707719 [0,0,0,0,0,1|3,0,0]=4 1803 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000744528 [0,0,0,0,0,1|3,0,0]=4 1804 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000744528_100000728653 [0,0,0,0,0,1|3,0,0]=4 1805 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000234950_100000744528 [0,0,0,0,0,1|3,0,0]=4 1806 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000744528_100000234950 [0,0,0,0,0,1|3,0,0]=4 1807 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100000744528_100011233845 [0,0,0,0,0,1|3,0,0]=4 1808 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100011261437_100000744528 [0,0,0,0,0,1|3,0,0]=4 1809 B12R1.255 NC(=O)CCSCc1cncs1 62a_100000744528_100015185245 [0,0,0,0,0,1|2,0,0]=3 1810 B12R1.255 NC(=O)CCSCc1cncs1 62a_100015185245_100000744528 [0,0,0,0,0,1|2,0,0]=3 1811 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000205941_100000744528 [0,0,0,0,0,1|3,0,0]=4 1812 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000744528_100000205941 [0,0,0,0,0,1|3,0,0]=4 1813 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100000744528_100016991755 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000744528 [0,0,0,0,0,1|3,0,0]=4 1815 B12R1.255 NC(=O)CCSCc1ncco1 62a_100000744528_103436540062 [0,0,0,0,0,1|2,1,0]=4 1816 B12R1.255 NC(=O)CCSCc1ncco1 62a_103436540062_100000744528 [0,0,0,0,0,1|2,1,0]=4 1817 B12R1.255 NC(=O)CCSCc1nccs1 62a_100000744528_100015184050 [0,0,0,0,0,1|2,0,0]=3 1818 B12R1.255 NC(=O)CCSCc1nccs1 62a_100015184050_100000744528 [0,0,0,0,0,1|2,0,0]=3 1819 B12R1.255 NC(=O)CNCCc1c[nH]cn1 2230a_100000711301_100020628418 [0,0,0,0,0,1|3,0,0]=4 1820 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,0,0,0,0,1|1,1,0]=3 1821 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,0,0,0,0,1|1,1,0]=3 1822 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000203755_100000747473 [0,0,0,0,0,1|1,0,0]=2 1823 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000711301_100000748579 [0,0,0,0,0,1|1,0,0]=2 1824 B12R1.255 NC(=O)CNCCc1cccs1 34a_100000203755_100000187820 [0,0,0,0,0,1|1,0,0]=2 1825 B12R1.255 NC(=O)CNCCc1ccsc1 2230a_100000692642_100000747473 [0,0,0,0,0,1|3,0,0]=4 1826 B12R1.255 NC(=O)CNCCc1ccsc1 34a_100000692642_100000187820 [0,0,0,0,0,1|3,0,0]=4 1827 B12R1.255 NC(=O)CNCCc1cncs1 2230a_100016991637_100000747473 [0,0,0,0,0,1|2,0,0]=3 1828 B12R1.255 NC(=O)CNCCc1nccs1 2230a_100015186391_100000747473 [0,0,0,0,0,1|2,0,0]=3 1829 B12R1.255 NC(=O)CNCCn1cccc1 2230a_100000711301_200009811947 [0,0,0,0,0,1|3,0,0]=4 1830 B12R1.255 NC(=O)CNCCn1cccc1 34a_100011368172_100000187820 [0,0,0,0,0,1|3,0,0]=4 1831 B12R1.255 NC(=O)CNCCn1cccn1 2230a_100000711301_100000685285 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.255 NC(=O)CNCCn1cccn1 2230a_100011200920_100000747473 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.255 NC(=O)COCCc1cccs1 34a_100011216825_100000187820 [0,0,0,0,0,1|1,0,0]=2 1834 B12R1.255 NC(=O)COCCc1cccs1 7a_100011216825_100000187820 [0,0,0,0,0,1|1,0,0]=2 1835 B12R1.255 NC(=O)COCCc1ccsc1 34a_100000748821_100000187820 [0,0,0,0,0,1|3,0,0]=4 1836 B12R1.255 NC(=O)COCCc1ncc[nH]1 34a_103549771195_100000187820 [0,0,0,0,0,1|3,0,0]=4 1837 B12R1.255 NC(=O)COCCn1cccc1 34a_100000179382_100000187820 [0,0,0,0,0,1|3,0,0]=4 1838 B12R1.255 NC(=O)COCCn1cccn1 34a_100000743371_100000187820 [0,0,0,0,0,1|3,0,0]=4 1839 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100000747473_100020628418 [0,0,0,0,0,1|3,0,0]=4 1840 B12R1.255 NC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747473 [0,0,0,0,0,1|3,0,0]=4 1841 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000747473_100000748579 [0,0,0,0,0,1|1,0,0]=2 1842 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000748579_100000747473 [0,0,0,0,0,1|1,0,0]=2 1843 B12R1.255 NC(=O)CSCCn1cccc1 62a_100000747473_200000035178 [0,0,0,0,0,1|3,0,0]=4 1844 B12R1.255 NC(=O)CSCCn1cccc1 62a_200009811947_100000747473 [0,0,0,0,0,1|3,0,0]=4 1845 B12R1.255 NC(=O)CSCCn1cccn1 62a_100000747473_100000685285 [0,0,0,0,0,1|3,0,0]=4 1846 B12R1.255 NC(=O)CSCCn1cccn1 62a_100015204718_100000747473 [0,0,0,0,0,1|3,0,0]=4 1847 B12R1.255 NC(=O)NCCSc1ccco1 62a_100009814098_200000034859 [0,0,0,0,0,1|2,1,0]=4 1848 B12R1.255 NC(=O)NCCSc1ccco1 62a_200000034859_100009814098 [0,0,0,0,0,1|2,1,0]=4 1849 B12R1.255 NC(=O)NCCSc1cccs1 62a_100011215356_200000034859 [0,0,0,0,0,1|2,0,0]=3 1850 B12R1.255 NC(=O)NCCSc1cccs1 62a_200000034859_100011215356 [0,0,0,0,0,1|2,0,0]=3 1851 B12R1.255 NC(=O)NCCSc1cncs1 62a_100011934649_200000034859 [0,0,0,0,0,1|3,0,0]=4 1852 B12R1.255 NC(=O)NCCSc1cncs1 62a_200000034859_100011934649 [0,0,0,0,0,1|3,0,0]=4 1853 B12R1.255 NC(=O)NCCSc1nccs1 62a_100000211983_200000034859 [0,0,0,0,0,1|3,0,0]=4 1854 B12R1.255 NC(=O)NCCSc1nccs1 62a_200000034859_100000211983 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.255 NC(=O)OCCSc1ccco1 62a_100009814098_200011214921 [0,0,0,0,0,1|2,1,0]=4 1856 B12R1.255 NC(=O)OCCSc1ccco1 62a_200011214921_100009814098 [0,0,0,0,0,1|2,1,0]=4 1857 B12R1.255 NC(=O)OCCSc1cccs1 62a_100011215356_200011214921 [0,0,0,0,0,1|2,0,0]=3 1858 B12R1.255 NC(=O)OCCSc1cccs1 62a_200011214921_100011215356 [0,0,0,0,0,1|2,0,0]=3 1859 B12R1.255 NC(=O)OCCSc1cncs1 62a_100011934649_200011214921 [0,0,0,0,0,1|3,0,0]=4 1860 B12R1.255 NC(=O)OCCSc1cncs1 62a_200011214921_100011934649 [0,0,0,0,0,1|3,0,0]=4 1861 B12R1.255 NC(=O)OCCSc1nccs1 62a_100000211983_200011214921 [0,0,0,0,0,1|3,0,0]=4 1862 B12R1.255 NC(=O)OCCSc1nccs1 62a_200011214921_100000211983 [0,0,0,0,0,1|3,0,0]=4 1863 B12R1.255 O=C(O)CNCCc1c[nH]cn1 269956a_100016091260_100020628418 [0,0,0,0,0,1|2,0,0]=3 1864 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [0,0,0,0,0,1|0,0,0]=1 1865 B12R1.255 O=C(O)CNCCc1cn[nH]c1 269956a_100016091260_100000743252 [0,0,0,0,0,1|3,0,0]=4 1866 B12R1.255 O=C(O)CNCCn1cccc1 269956a_100016091260_200000035178 [0,0,0,0,0,1|2,0,0]=3 1867 B12R1.255 O=C(O)CNCCn1cccn1 269956a_100016091260_100000685285 [0,0,0,0,0,1|2,0,0]=3 1868 B12R1.255 O=C(O)CNCCn1ccnc1 269956a_100016091260_100000702546 [0,0,0,0,0,1|3,0,0]=4 1869 B12R1.255 O=C(O)CNCCn1cncn1 269956a_100016091260_100000731791 [0,0,0,0,0,1|3,0,0]=4 1870 B12R1.255 O=C(O)CONCc1c[nH]cn1 269956a_100000106656_100000707719 [0,0,0,0,0,1|3,0,0]=4 1871 B12R1.255 O=C(O)CONCc1ccn[nH]1 269956a_100000106656_100000728653 [0,0,0,0,0,1|3,0,0]=4 1872 B12R1.255 O=C(O)CONCc1ccon1 269956a_100000106656_100000234950 [0,0,0,0,0,1|3,0,0]=4 1873 B12R1.255 O=C(O)CONCc1ccsc1 269956a_100000106656_100011261437 [0,0,0,0,0,1|3,0,0]=4 1874 B12R1.255 O=C(O)CONCc1cncs1 269956a_100000106656_100015185245 [0,0,0,0,0,1|2,0,0]=3 1875 B12R1.255 O=C(O)CONCc1cscn1 269956a_100000106656_100000205941 [0,0,0,0,0,1|3,0,0]=4 1876 B12R1.255 O=C(O)CONCc1ncc[nH]1 269956a_100000106656_100000753453 [0,0,0,0,0,1|3,0,0]=4 1877 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [0,0,0,0,0,1|2,1,0]=4 1878 B12R1.255 O=C(O)CONCc1nccs1 269956a_100000106656_100015184050 [0,0,0,0,0,1|2,0,0]=3 1879 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,0,0,0,0,1|0,1,1]=3 1880 B12R1.255 O=C([O-])CNCCc1cccs1 34a_100000203755_100020667443 [0,0,0,0,0,1|0,0,1]=2 1881 B12R1.255 O=C([O-])CNCCc1ccsc1 34a_100000692642_100020667443 [0,0,0,0,0,1|2,0,1]=4 1882 B12R1.255 O=C([O-])CNCCn1cccc1 34a_100011368172_100020667443 [0,0,0,0,0,1|2,0,1]=4 1883 B12R1.255 O=C([O-])COCCc1cccs1 34a_100011216825_100020667443 [0,0,0,0,0,1|0,0,1]=2 1884 B12R1.255 O=C([O-])COCCc1ccsc1 34a_100000748821_100020667443 [0,0,0,0,0,1|2,0,1]=4 1885 B12R1.255 O=C([O-])COCCc1ncc[nH]1 34a_103549771195_100020667443 [0,0,0,0,0,1|2,0,1]=4 1886 B12R1.255 O=C([O-])COCCn1cccc1 34a_100000179382_100020667443 [0,0,0,0,0,1|2,0,1]=4 1887 B12R1.255 O=C([O-])COCCn1cccn1 34a_100000743371_100020667443 [0,0,0,0,0,1|2,0,1]=4 1888 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020628418_100020667443 [0,0,0,0,0,1|2,0,1]=4 1889 B12R1.255 O=C([O-])CSCCc1c[nH]cn1 62a_100020667443_100020628418 [0,0,0,0,0,1|2,0,1]=4 1890 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100000748579_100020667443 [0,0,0,0,0,1|0,0,1]=2 1891 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100020667443_100000748579 [0,0,0,0,0,1|0,0,1]=2 1892 B12R1.255 O=C([O-])CSCCn1cccc1 62a_100020667443_200000035178 [0,0,0,0,0,1|2,0,1]=4 1893 B12R1.255 O=C([O-])CSCCn1cccc1 62a_200009811947_100020667443 [0,0,0,0,0,1|2,0,1]=4 1894 B12R1.255 O=C([O-])CSCCn1cccn1 62a_100015204718_100020667443 [0,0,0,0,0,1|2,0,1]=4 1895 B12R1.255 O=C([O-])CSCCn1cccn1 62a_100020667443_100000685285 [0,0,0,0,0,1|2,0,1]=4 1896 B12R1.255 O=[N+]([O-])CNCCc1ccco1 34a_100000694680_100000761209 [0,0,0,0,0,1|1,1,1]=4 1897 B12R1.255 O=[N+]([O-])CNCCc1cccs1 34a_100000203755_100000761209 [0,0,0,0,0,1|1,0,1]=3 1898 B12R1.255 O=[N+]([O-])COCCc1cccs1 34a_100011216825_100000761209 [0,0,0,0,0,1|1,0,1]=3 1899 B12R1.255 O=[N+]([O-])CSCCc1cccs1 62a_100000748579_100000761209 [0,0,0,0,0,1|1,0,1]=3 1900 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,0,0,0,0,1|1,0,0]=2 1901 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,1,0,0,0|1,1,0]=4 1902 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,0,1,0,0,0|1,1,0]=4 1903 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,0,1,0,0,0|1,0,1]=4 1904 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,0,1,0,0,0|1,0,1]=4 1905 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,0,1,0,0,0|1,0,1]=4 1906 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,0,1,0,0,0|1,0,1]=4 1907 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,0,1,0,0,0|2,0,0]=4 1908 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,0,1,0,0,0|0,0,2]=4 1909 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,0,1,0,0,0|0,0,2]=4 1910 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [2,0,0,0,0,0|1,0,1]=4 1911 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [2,0,0,0,0,0|1,0,1]=4 1912 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [2,0,0,0,0,0|0,1,1]=4 1913 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [2,0,0,0,0,0|0,0,1]=3 1914 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [2,0,0,0,0,0|1,0,1]=4 1915 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [2,0,0,0,0,0|1,0,1]=4 1916 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [2,0,0,0,0,0|1,0,1]=4 1917 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [2,0,0,0,0,0|1,0,1]=4 1918 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [2,0,0,0,0,0|1,0,1]=4 1919 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [2,0,0,0,0,0|1,0,1]=4 1920 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [2,0,0,0,0,0|1,0,1]=4 1921 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [2,0,0,0,0,0|1,0,1]=4 1922 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [2,0,0,0,0,0|1,0,1]=4 1923 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [2,0,0,0,0,0|1,0,1]=4 1924 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [2,0,0,0,0,0|1,0,1]=4 1925 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [2,0,0,0,0,0|1,0,1]=4 1926 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [2,0,0,0,0,0|1,0,1]=4 1927 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [2,0,0,0,0,0|1,0,1]=4 1928 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [2,0,0,0,0,0|1,0,1]=4 1929 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [2,0,0,0,0,0|1,0,1]=4 1930 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [2,0,0,0,0,0|1,0,1]=4 1931 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [2,0,0,0,0,0|1,0,1]=4 1932 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [2,0,0,0,0,0|2,0,0]=4 1933 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [2,0,0,0,0,0|2,0,0]=4 1934 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [2,0,0,0,0,0|2,0,0]=4 1935 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [2,0,0,0,0,0|1,1,0]=4 1936 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [2,0,0,0,0,0|1,1,0]=4 1937 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [2,0,0,0,0,0|1,0,0]=3 1938 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [2,0,0,0,0,0|1,0,0]=3 1939 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [2,0,0,0,0,0|2,0,0]=4 1940 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [2,0,0,0,0,0|2,0,0]=4 1941 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [2,0,0,0,0,0|2,0,0]=4 1942 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [2,0,0,0,0,0|2,0,0]=4 1943 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [2,0,0,0,0,0|1,1,0]=4 1944 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [2,0,0,0,0,0|1,1,0]=4 1945 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [2,0,0,0,0,0|1,0,0]=3 1946 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [2,0,0,0,0,0|1,0,0]=3 1947 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [2,0,0,0,0,0|2,0,0]=4 1948 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [2,0,0,0,0,0|2,0,0]=4 1949 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [2,0,0,0,0,0|2,0,0]=4 1950 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [2,0,0,0,0,0|2,0,0]=4 1951 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [2,0,0,0,0,0|1,0,1]=4 1952 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [2,0,0,0,0,0|1,0,1]=4 1953 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [2,0,0,0,0,0|1,0,1]=4 1954 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [2,0,0,0,0,0|1,0,1]=4 1955 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [2,0,0,0,0,0|1,0,1]=4 1956 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [2,0,0,0,0,0|1,0,1]=4 1957 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,1,1,0,0,0|1,1,0]=4 1958 B11R0.147 C=CC=CC(=O)CCCC(=O)N 1458a_100016291481_100102525003 [0,1,1,0,0,0|1,1,0]=4 1959 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,1,1,0,0,0|0,1,1]=4 1960 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,1,1,0,0,0|0,1,1]=4 1961 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,1,1,0,0,0|0,1,1]=4 1962 B11R0.174 COC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011218270 [0,1,1,0,0,0|1,1,0]=4 1963 B11R0.174 COC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011218270 [0,1,1,0,0,0|1,1,0]=4 1964 B11R0.174 COC(=O)CCCC(=O)C=CI 1458a_100016256311_100011218270 [0,1,1,0,0,0|1,1,0]=4 1965 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,1,1,0,0,0|2,0,0]=4 1966 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,1,1,0,0,0|0,0,2]=4 1967 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,1,1,0,0,0|0,0,2]=4 1968 B11R0.148 C/C=C/C=C/COCCC(=O)N 34a_100016283227_100000731001 [0,1,1,0,0,0|2,0,0]=4 1969 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [1,1,0,0,0,0|1,0,1]=4 1970 B11R1.4 C#CCCCSc1cccs1 62a_100011215356_100011215417 [1,1,0,0,0,0|1,0,1]=4 1971 B11R1.4 C#CCCCSc1cccs1 62a_100011215417_100011215356 [1,1,0,0,0,0|1,0,1]=4 1972 B11R1.4 C#CCCNCc1cccs1 2230a_100000211653_100000688953 [1,1,0,0,0,0|1,0,1]=4 1973 B11R1.4 C#CCCOCc1cccs1 34a_100000211240_100000688953 [1,1,0,0,0,0|1,0,1]=4 1974 B11R1.4 C#CCNCCc1cccs1 2230a_100000203755_100000038162 [1,1,0,0,0,0|1,0,1]=4 1975 B11R1.4 C#CCNCCc1cccs1 34a_100000203755_100000184674 [1,1,0,0,0,0|1,0,1]=4 1976 B11R1.4 C#CCNCCc1cccs1 34a_100000212058_100000748579 [1,1,0,0,0,0|1,0,1]=4 1977 B11R1.4 C#CCOCCc1cccs1 34a_100000210247_100000748579 [1,1,0,0,0,0|1,0,1]=4 1978 B11R1.4 C#CCOCCc1cccs1 34a_100011216825_100000184674 [1,1,0,0,0,0|1,0,1]=4 1979 B11R1.4 C#CCOCCc1cccs1 7a_100011216825_100000038162 [1,1,0,0,0,0|1,0,1]=4 1980 B11R1.4 C#CCSCCc1cccs1 62a_100000038162_100000748579 [1,1,0,0,0,0|1,0,1]=4 1981 B11R1.4 C/C=C/COCc1cccs1 34a_100000211240_100102629194 [1,1,0,0,0,0|1,0,1]=4 1982 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [1,1,0,0,0,0|1,1,0]=4 1983 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [1,1,0,0,0,0|1,1,0]=4 1984 B11R1.4 C=CCCCSc1cccs1 62a_100011215356_100000757094 [1,1,0,0,0,0|1,0,0]=3 1985 B11R1.4 C=CCCCSc1cccs1 62a_100011713584_100011215356 [1,1,0,0,0,0|1,0,0]=3 1986 B11R1.4 C=CCCCSc1cncs1 62a_100011713584_100011934649 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.4 C=CCCCSc1cncs1 62a_100011934649_100000757094 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.4 C=CCCCSc1nccs1 62a_100000211983_100000757094 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.4 C=CCCCSc1nccs1 62a_100011713584_100000211983 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [1,1,0,0,0,0|1,1,0]=4 1991 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [1,1,0,0,0,0|1,1,0]=4 1992 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [1,1,0,0,0,0|1,1,0]=4 1993 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [1,1,0,0,0,0|1,1,0]=4 1994 B11R1.4 C=CCCNCc1cccs1 207a_100015191253_100000209959 [1,1,0,0,0,0|1,0,0]=3 1995 B11R1.4 C=CCCNCc1cccs1 2230a_100000211653_100000754431 [1,1,0,0,0,0|1,0,0]=3 1996 B11R1.4 C=CCCNCc1cccs1 270004a_100015191253_100000209959 [1,1,0,0,0,0|1,0,0]=3 1997 B11R1.4 C=CCCNCc1cncs1 207a_100015191253_100000749870 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.4 C=CCCNCc1cncs1 2230a_100015191253_100015185245 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.4 C=CCCNCc1cncs1 2230a_100016987365_100000754431 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.4 C=CCCNCc1cncs1 270004a_100015191253_100000749870 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.4 C=CCCNCc1nccs1 207a_100015191253_100000750902 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.4 C=CCCNCc1nccs1 2230a_100000740555_100000754431 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.4 C=CCCNCc1nccs1 2230a_100015191253_100015184050 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.4 C=CCCNCc1nccs1 270004a_100015191253_100000750902 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [1,1,0,0,0,0|1,1,0]=4 2006 B11R1.4 C=CCCOCc1cccs1 34a_100000211240_100000754431 [1,1,0,0,0,0|1,0,0]=3 2007 B11R1.4 C=CCCOCc1cncs1 34a_100011205117_100015185245 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.4 C=CCCOCc1nccs1 34a_100011205117_100015184050 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.4 C=CCCSCc1cncs1 62a_100000754431_100015185245 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.4 C=CCCSCc1cncs1 62a_100015185245_100000754431 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.4 C=CCCSCc1nccs1 62a_100000754431_100015184050 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.4 C=CCCSCc1nccs1 62a_100015184050_100000754431 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [1,1,0,0,0,0|1,1,0]=4 2014 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [1,1,0,0,0,0|1,1,0]=4 2015 B11R1.4 C=CCNCCc1cccs1 2230a_100000203755_100000210623 [1,1,0,0,0,0|1,0,0]=3 2016 B11R1.4 C=CCNCCc1cccs1 2230a_100020586998_100000748579 [1,1,0,0,0,0|1,0,0]=3 2017 B11R1.4 C=CCNCCc1cccs1 34a_100000203755_100015514636 [1,1,0,0,0,0|1,0,0]=3 2018 B11R1.4 C=CCNCCc1cncs1 2230a_100016991637_100000210623 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.4 C=CCNCCc1nccs1 2230a_100015186391_100000210623 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.4 C=CCOCCc1cccs1 34a_100011216825_100015514636 [1,1,0,0,0,0|1,0,0]=3 2021 B11R1.4 C=CCOCCc1cccs1 34a_200000210373_100000748579 [1,1,0,0,0,0|1,0,0]=3 2022 B11R1.4 C=CCOCCc1cccs1 7a_100011216825_100015514636 [1,1,0,0,0,0|1,0,0]=3 2023 B11R1.4 C=CCSCCc1cccs1 62a_100000210623_100000748579 [1,1,0,0,0,0|1,0,0]=3 2024 B11R1.4 C=CCSCCc1cccs1 62a_100000748579_100000210623 [1,1,0,0,0,0|1,0,0]=3 2025 B11R1.4 C=COCCSc1cccs1 62a_100000039644_100011215356 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.4 C=COCCSc1cccs1 62a_100011215356_100000039644 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.4 CC=CCNCc1cccs1 2230a_100000211653_100000070051 [1,1,0,0,0,0|1,0,1]=4 2028 B11R1.4 CC=CCOCc1cccs1 34a_100000211240_100000070051 [1,1,0,0,0,0|1,0,1]=4 2029 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,1,0,0,0,0|1,0,1]=4 2030 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,1,0,0,0,0|1,0,1]=4 2031 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,1,0,0,0,0|1,0,1]=4 2032 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,1,0,0,0,0|1,0,1]=4 2033 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,1,0,0,0,0|1,0,1]=4 2034 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,1,0,0,0,0|1,0,1]=4 2035 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,1,0,0,0,0|1,0,1]=4 2036 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,1,0,0,0,0|1,0,1]=4 2037 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,1,0,0,0,0|1,0,1]=4 2038 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,1,0,0,0,0|1,0,1]=4 2039 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,1,0,0,0,0|1,0,1]=4 2040 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,1,0,0,0,0|1,0,1]=4 2041 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,1,0,0,0,0|1,0,1]=4 2042 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,1,0,0,0,0|1,0,1]=4 2043 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,1,0,0,0,0|1,0,1]=4 2044 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,1,0,0,0,0|1,0,1]=4 2045 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,1,0,0,0,0|1,0,1]=4 2046 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,1,0,0,0,0|1,0,1]=4 2047 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,1,0,0,0,0|1,0,1]=4 2048 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [1,1,0,0,0,0|1,0,1]=4 2049 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [1,1,0,0,0,0|1,0,1]=4 2050 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [1,1,0,0,0,0|1,0,1]=4 2051 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [1,1,0,0,0,0|1,0,1]=4 2052 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [1,1,0,0,0,0|1,0,1]=4 2053 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [1,1,0,0,0,0|1,0,1]=4 2054 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [1,1,0,0,0,0|1,0,1]=4 2055 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [1,1,0,0,0,0|1,0,1]=4 2056 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [1,1,0,0,0,0|1,0,1]=4 2057 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [1,1,0,0,0,0|1,0,1]=4 2067 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [1,1,0,0,0,0|1,0,1]=4 2068 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [1,1,0,0,0,0|1,0,1]=4 2069 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [1,1,0,0,0,0|1,0,1]=4 2070 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [1,1,0,0,0,0|1,0,1]=4 2071 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [1,1,0,0,0,0|1,0,1]=4 2072 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [1,1,0,0,0,0|1,0,1]=4 2073 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [1,1,0,0,0,0|1,0,1]=4 2074 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [1,1,0,0,0,0|1,0,1]=4 2075 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [1,1,0,0,0,0|1,0,1]=4 2076 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [1,1,0,0,0,0|1,0,1]=4 2077 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [1,1,0,0,0,0|1,0,1]=4 2078 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [1,1,0,0,0,0|1,0,1]=4 2079 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [1,1,0,0,0,0|1,0,1]=4 2080 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [1,1,0,0,0,0|1,0,1]=4 2081 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [1,1,0,0,0,0|1,0,1]=4 2082 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [1,1,0,0,0,0|1,0,1]=4 2083 B11R1.4 N#CCCCSc1cccs1 62a_100000687738_100011215356 [1,1,0,0,0,0|1,0,1]=4 2084 B11R1.4 N#CCCCSc1cccs1 62a_100011215356_100000687738 [1,1,0,0,0,0|1,0,1]=4 2085 B11R1.4 N#CCCNCc1cccs1 2230a_100000211653_100011215226 [1,1,0,0,0,0|1,0,1]=4 2086 B11R1.4 N#CCCNCc1cccs1 270004a_100000720768_100000209959 [1,1,0,0,0,0|1,0,1]=4 2087 B11R1.4 N#CCNCCc1cccs1 2230a_100000203755_100011215382 [1,1,0,0,0,0|1,0,1]=4 2088 B11R1.4 N#CCOCCc1cccs1 7a_100011216825_100011215382 [1,1,0,0,0,0|1,0,1]=4 2089 B11R1.4 N#CCSCCc1cccs1 62a_100000748579_100011215382 [1,1,0,0,0,0|1,0,1]=4 2090 B11R1.4 N#CCSCCc1cccs1 62a_100011215382_100000748579 [1,1,0,0,0,0|1,0,1]=4 2091 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,1,0,0,0,0|1,0,1]=4 2092 B11R1.4 O=CCCCOc1ccsc1 7a_100000106738_200011292268 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.4 O=CCCCSc1c[nH]cn1 62a_100000756875_200011292268 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.4 O=CCCCSc1c[nH]cn1 62a_200011292268_100000756875 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.4 O=CCCCSc1cc[nH]n1 62a_100000062575_200011292268 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.4 O=CCCCSc1cc[nH]n1 62a_200011292268_100000062575 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [1,1,0,0,0,0|0,1,0]=3 2098 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [1,1,0,0,0,0|0,1,0]=3 2099 B11R1.4 O=CCCCSc1cccs1 62a_100011215356_200011292268 [1,1,0,0,0,0|0,0,0]=2 2100 B11R1.4 O=CCCCSc1cccs1 62a_200011292268_100011215356 [1,1,0,0,0,0|0,0,0]=2 2101 B11R1.4 O=CCCCSc1ccoc1 62a_100011215275_200011292268 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.4 O=CCCCSc1ccoc1 62a_200011292268_100011215275 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.4 O=CCCCSc1ccon1 62a_100009818083_200011292268 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.4 O=CCCCSc1ccon1 62a_200011292268_100009818083 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.4 O=CCCCSc1ccsc1 62a_100000738268_200011292268 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.4 O=CCCCSc1ccsc1 62a_200011292268_100000738268 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.4 O=CCCCSc1ccsn1 62a_100009818082_200011292268 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.4 O=CCCCSc1ccsn1 62a_200011292268_100009818082 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.4 O=CCCCSc1cnco1 62a_100020591547_200011292268 [1,1,0,0,0,0|1,1,0]=4 2110 B11R1.4 O=CCCCSc1cnco1 62a_200011292268_100020591547 [1,1,0,0,0,0|1,1,0]=4 2111 B11R1.4 O=CCCCSc1cncs1 62a_100011934649_200011292268 [1,1,0,0,0,0|1,0,0]=3 2112 B11R1.4 O=CCCCSc1cncs1 62a_200011292268_100011934649 [1,1,0,0,0,0|1,0,0]=3 2113 B11R1.4 O=CCCCSc1cscn1 62a_100000751502_200011292268 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.4 O=CCCCSc1cscn1 62a_200011292268_100000751502 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.4 O=CCCCSc1ncc[nH]1 62a_100025796157_200011292268 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.4 O=CCCCSc1ncc[nH]1 62a_200011292268_100025796157 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.4 O=CCCCSc1ncco1 62a_100011787736_200011292268 [1,1,0,0,0,0|1,1,0]=4 2118 B11R1.4 O=CCCCSc1ncco1 62a_200011292268_100011787736 [1,1,0,0,0,0|1,1,0]=4 2119 B11R1.4 O=CCCCSc1nccs1 62a_100000211983_200011292268 [1,1,0,0,0,0|1,0,0]=3 2120 B11R1.4 O=CCCCSc1nccs1 62a_200011292268_100000211983 [1,1,0,0,0,0|1,0,0]=3 2121 B11R1.4 O=CCCCSc1ncns1 62a_100000693119_200011292268 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.4 O=CCCCSc1ncns1 62a_200011292268_100000693119 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.4 O=CCCCSc1nncs1 62a_100000739804_200011292268 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.4 O=CCCCSc1nncs1 62a_200011292268_100000739804 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [1,1,0,0,0,0|0,1,0]=3 2126 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [1,1,0,0,0,0|0,1,0]=3 2127 B11R1.4 O=CCNCCc1cccs1 2230a_100000203755_200015260668 [1,1,0,0,0,0|0,0,0]=2 2128 B11R1.4 O=CCNCCc1cccs1 34a_100000203755_200009817547 [1,1,0,0,0,0|0,0,0]=2 2129 B11R1.4 O=CCNCCc1ccsc1 2230a_100000692642_200015260668 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.4 O=CCNCCc1ccsc1 34a_100000692642_200009817547 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.4 O=CCNCCc1cncs1 2230a_100016991637_200015260668 [1,1,0,0,0,0|1,0,0]=3 2132 B11R1.4 O=CCNCCc1nccs1 2230a_100015186391_200015260668 [1,1,0,0,0,0|1,0,0]=3 2133 B11R1.4 O=CCNCCn1cccc1 34a_100011368172_200009817547 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.4 O=CCNCCn1cccn1 2230a_100011200920_200015260668 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.4 O=CCOCCc1cccs1 34a_100011216825_200009817547 [1,1,0,0,0,0|0,0,0]=2 2136 B11R1.4 O=CCOCCc1cccs1 7a_100011216825_200015260668 [1,1,0,0,0,0|0,0,0]=2 2137 B11R1.4 O=CCOCCc1ccsc1 34a_100000748821_200009817547 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.4 O=CCOCCc1ncc[nH]1 34a_103549771195_200009817547 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.4 O=CCOCCn1cccc1 34a_100000179382_200009817547 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.4 O=CCOCCn1cccn1 34a_100000743371_200009817547 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.4 O=CCSCCc1c[nH]cn1 62a_100020628418_200015260668 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.4 O=CCSCCc1c[nH]cn1 62a_200015260668_100020628418 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.4 O=CCSCCc1cccs1 62a_100000748579_200015260668 [1,1,0,0,0,0|0,0,0]=2 2144 B11R1.4 O=CCSCCc1cccs1 62a_200015260668_100000748579 [1,1,0,0,0,0|0,0,0]=2 2145 B11R1.4 O=CCSCCn1cccc1 62a_200009811947_200015260668 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.4 O=CCSCCn1cccc1 62a_200015260668_200000035178 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.4 O=CCSCCn1cccn1 62a_100015204718_200015260668 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.4 O=CCSCCn1cccn1 62a_200015260668_100000685285 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [1,1,0,0,0,0|0,1,1]=4 2150 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [1,1,0,0,0,0|0,1,1]=4 2151 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [1,1,0,0,0,0|0,0,1]=3 2152 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [1,1,0,0,0,0|0,0,1]=3 2153 B11R1.4 OCCCCSc1cncs1 62a_100000210776_100011934649 [1,1,0,0,0,0|1,0,1]=4 2154 B11R1.4 OCCCCSc1cncs1 62a_100011934649_100000210776 [1,1,0,0,0,0|1,0,1]=4 2155 B11R1.4 OCCCCSc1nccs1 62a_100000210776_100000211983 [1,1,0,0,0,0|1,0,1]=4 2156 B11R1.4 OCCCCSc1nccs1 62a_100000211983_100000210776 [1,1,0,0,0,0|1,0,1]=4 2157 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [1,1,0,0,0,0|0,1,1]=4 2158 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [1,1,0,0,0,0|0,1,1]=4 2159 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [1,1,0,0,0,0|0,1,1]=4 2160 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [1,1,0,0,0,0|0,1,1]=4 2161 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [1,1,0,0,0,0|0,0,1]=3 2162 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [1,1,0,0,0,0|0,0,1]=3 2163 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [1,1,0,0,0,0|0,0,1]=3 2164 B11R1.4 OCCCNCc1cncs1 207a_100000182051_100000749870 [1,1,0,0,0,0|1,0,1]=4 2165 B11R1.4 OCCCNCc1cncs1 2230a_100016987365_100000230001 [1,1,0,0,0,0|1,0,1]=4 2166 B11R1.4 OCCCNCc1cncs1 270004a_100000182051_100000749870 [1,1,0,0,0,0|1,0,1]=4 2167 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [1,1,0,0,0,0|1,0,1]=4 2168 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [1,1,0,0,0,0|1,0,1]=4 2169 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [1,1,0,0,0,0|1,0,1]=4 2170 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [1,1,0,0,0,0|0,1,1]=4 2171 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [1,1,0,0,0,0|0,0,1]=3 2172 B11R1.4 OCCCSCc1cncs1 62a_100011215043_100015185245 [1,1,0,0,0,0|1,0,1]=4 2173 B11R1.4 OCCCSCc1cncs1 62a_100015185245_100011215043 [1,1,0,0,0,0|1,0,1]=4 2174 B11R1.4 OCCCSCc1nccs1 62a_100011215043_100015184050 [1,1,0,0,0,0|1,0,1]=4 2175 B11R1.4 OCCCSCc1nccs1 62a_100015184050_100011215043 [1,1,0,0,0,0|1,0,1]=4 2176 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [1,1,0,0,0,0|0,1,1]=4 2177 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [1,1,0,0,0,0|0,1,1]=4 2178 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [1,1,0,0,0,0|0,0,1]=3 2179 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [1,1,0,0,0,0|0,0,1]=3 2180 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [1,1,0,0,0,0|0,0,1]=3 2181 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [1,1,0,0,0,0|0,0,1]=3 2182 B11R1.4 OCCNCCc1cncs1 2230a_100016991637_100000211926 [1,1,0,0,0,0|1,0,1]=4 2183 B11R1.4 OCCNCCc1nccs1 2230a_100015186391_100000211926 [1,1,0,0,0,0|1,0,1]=4 2184 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [1,1,0,0,0,0|0,0,1]=3 2185 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [1,1,0,0,0,0|0,0,1]=3 2186 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [1,1,0,0,0,0|0,0,1]=3 2187 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [1,1,0,0,0,0|0,0,1]=3 2188 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [1,1,0,0,0,0|1,0,1]=4 2189 B11R1.25 C=CC(O)CSc1cccs1 62a_100000730141_100011215356 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.25 C=CC(O)CSc1cccs1 62a_100011215356_100000730141 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.25 CC(CO)NCc1cccs1 2230a_100000211653_100012180447 [1,1,0,0,0,0|1,0,1]=4 2192 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [1,1,0,0,0,0|1,0,1]=4 2193 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100000059175_100011215356 [1,1,0,0,0,0|1,0,1]=4 2194 B11R1.25 C[C@@H](CO)CSc1cccs1 62a_100011215356_100000059175 [1,1,0,0,0,0|1,0,1]=4 2195 B11R1.25 C[C@H](CO)NCc1cccs1 207a_100000737577_100000209959 [1,1,0,0,0,0|1,0,1]=4 2196 B11R1.25 C[C@H](CO)NCc1cccs1 270004a_100000737577_100000209959 [1,1,0,0,0,0|1,0,1]=4 2197 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [1,1,0,0,0,0|0,0,2]=4 2198 B11R1.25 OCC(O)CSc1cccs1 62a_100011215356_100011219619 [1,1,0,0,0,0|1,0,1]=4 2199 B11R1.25 OCC(O)CSc1cccs1 62a_100011219619_100011215356 [1,1,0,0,0,0|1,0,1]=4 2200 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100009815848_100011215356 [1,1,0,0,0,0|1,0,1]=4 2201 B11R1.25 OC[C@H](O)CSc1cccs1 62a_100011215356_100009815848 [1,1,0,0,0,0|1,0,1]=4 2202 B11R1.27 C=CCCSc1cc(cs1)C 62a_100000754431_100009876951 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.27 C=CCCSc1cc(cs1)C 62a_100009876951_100000754431 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.27 C=CCCSc1ccc(s1)Br 62a_100000754431_100010197418 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.27 C=CCCSc1ccc(s1)Br 62a_100010197418_100000754431 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.27 C=CCCSc1ccc(s1)C 62a_100000031368_100000754431 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.27 C=CCCSc1ccc(s1)C 62a_100000754431_100000031368 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.27 C=CCNCc1cc(cs1)Br 2230a_100000741024_100000210623 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.27 C=CCNCc1cc(cs1)Br 2230a_100020586998_100000746031 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.27 C=CCNCc1cc(cs1)Br 270004a_100020586998_100000211722 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.27 C=CCNCc1cc(cs1)Br 34a_100000741024_100015514636 [1,1,0,0,0,0|2,0,0]=4 2212 B11R1.27 C=CCNCc1cc(cs1)C 2230a_100015204214_100000210623 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.27 C=CCNCc1cc(cs1)C 270004a_100020586998_100102525248 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.27 C=CCNCc1cc(cs1)C 34a_100015204214_100015514636 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.27 C=CCNCc1cc(cs1)Cl 270004a_100020586998_100000102487 [1,1,0,0,0,0|2,0,0]=4 2216 B11R1.27 C=CCNCc1ccc(s1)Br 2230a_100020586998_100000708592 [1,1,0,0,0,0|2,0,0]=4 2217 B11R1.27 C=CCNCc1ccc(s1)Br 270004a_100020586998_100000179771 [1,1,0,0,0,0|2,0,0]=4 2218 B11R1.27 C=CCNCc1ccc(s1)C 2230a_100000238518_100000210623 [1,1,0,0,0,0|2,0,0]=4 2219 B11R1.27 C=CCNCc1ccc(s1)C 270004a_100020586998_100000211121 [1,1,0,0,0,0|2,0,0]=4 2220 B11R1.27 C=CCNCc1ccc(s1)Cl 2230a_100000737310_100000210623 [1,1,0,0,0,0|2,0,0]=4 2221 B11R1.27 C=CCNCc1ccc(s1)Cl 2230a_100020586998_100000185097 [1,1,0,0,0,0|2,0,0]=4 2222 B11R1.27 C=CCNCc1ccc(s1)Cl 270004a_100020586998_100000242774 [1,1,0,0,0,0|2,0,0]=4 2223 B11R1.27 C=CCOCc1cc(cs1)Br 34a_100000238369_100015514636 [1,1,0,0,0,0|2,0,0]=4 2224 B11R1.27 C=CCOCc1cc(cs1)Br 34a_200000210373_100000746031 [1,1,0,0,0,0|2,0,0]=4 2225 B11R1.27 C=CCOCc1cc(cs1)Br 7a_100000238369_100015514636 [1,1,0,0,0,0|2,0,0]=4 2226 B11R1.27 C=CCOCc1cc(cs1)C 34a_200000068372_100015514636 [1,1,0,0,0,0|2,0,0]=4 2227 B11R1.27 C=CCOCc1cc(cs1)C 7a_200000068372_100015514636 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.27 C=CCOCc1ccc(s1)Br 34a_200000210373_100000708592 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.27 C=CCOCc1ccc(s1)C 34a_100000238367_100015514636 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.27 C=CCOCc1ccc(s1)Cl 34a_200000210373_100000185097 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000210623_100000746031 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.27 C=CCSCc1cc(cs1)Br 62a_100000746031_100000210623 [1,1,0,0,0,0|2,0,0]=4 2233 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000210623_100000708592 [1,1,0,0,0,0|2,0,0]=4 2234 B11R1.27 C=CCSCc1ccc(s1)Br 62a_100000708592_100000210623 [1,1,0,0,0,0|2,0,0]=4 2235 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000185097_100000210623 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.27 C=CCSCc1ccc(s1)Cl 62a_100000210623_100000185097 [1,1,0,0,0,0|2,0,0]=4 2237 B11R1.27 Cc1ccc(o1)CNCC=O 34a_100011194323_200009817547 [1,1,0,0,0,0|1,1,0]=4 2238 B11R1.27 Cc1ccc(o1)COCC=O 34a_100011232665_200009817547 [1,1,0,0,0,0|1,1,0]=4 2239 B11R1.27 Cc1ccc(o1)COCC=O 7a_100011232665_200015260668 [1,1,0,0,0,0|1,1,0]=4 2240 B11R1.27 Cc1ccc(s1)CNCC=O 2230a_100000238518_200015260668 [1,1,0,0,0,0|1,0,0]=3 2241 B11R1.27 Cc1ccc(s1)CNCCO 207a_100000210304_100000211121 [1,1,0,0,0,0|1,0,1]=4 2242 B11R1.27 Cc1ccc(s1)CNCCO 2230a_100000238518_100000211926 [1,1,0,0,0,0|1,0,1]=4 2243 B11R1.27 Cc1ccc(s1)CNCCO 270004a_100000210304_100000211121 [1,1,0,0,0,0|1,0,1]=4 2244 B11R1.27 Cc1ccc(s1)COCC=O 34a_100000238367_200009817547 [1,1,0,0,0,0|1,0,0]=3 2245 B11R1.27 Cc1ccc(s1)COCCO 34a_100000238367_100000211926 [1,1,0,0,0,0|1,0,1]=4 2246 B11R1.27 Cc1ccc(s1)SCCCO 62a_100000031368_100011215043 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.27 Cc1ccc(s1)SCCCO 62a_100011215043_100000031368 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.27 Cc1csc(c1)CNCC=O 2230a_100015204214_200015260668 [1,1,0,0,0,0|1,0,0]=3 2249 B11R1.27 Cc1csc(c1)CNCC=O 34a_100015204214_200009817547 [1,1,0,0,0,0|1,0,0]=3 2250 B11R1.27 Cc1csc(c1)CNCCO 207a_100000210304_100102525248 [1,1,0,0,0,0|1,0,1]=4 2251 B11R1.27 Cc1csc(c1)CNCCO 2230a_100015204214_100000211926 [1,1,0,0,0,0|1,0,1]=4 2252 B11R1.27 Cc1csc(c1)CNCCO 270004a_100000210304_100102525248 [1,1,0,0,0,0|1,0,1]=4 2253 B11R1.27 Cc1csc(c1)CNCCO 34a_100015204214_100000211926 [1,1,0,0,0,0|1,0,1]=4 2254 B11R1.27 Cc1csc(c1)COCC=O 34a_200000068372_200009817547 [1,1,0,0,0,0|1,0,0]=3 2255 B11R1.27 Cc1csc(c1)COCC=O 7a_200000068372_200015260668 [1,1,0,0,0,0|1,0,0]=3 2256 B11R1.27 Cc1csc(c1)COCCO 34a_200000068372_100000211926 [1,1,0,0,0,0|1,0,1]=4 2257 B11R1.27 Cc1csc(c1)COCCO 7a_200000068372_100000211926 [1,1,0,0,0,0|1,0,1]=4 2258 B11R1.27 Cc1csc(c1)SCCCO 62a_100009876951_100011215043 [1,1,0,0,0,0|1,0,1]=4 2259 B11R1.27 Cc1csc(c1)SCCCO 62a_100011215043_100009876951 [1,1,0,0,0,0|1,0,1]=4 2260 B11R1.27 Cc1csc(n1)CNCC=O 2230a_100015183719_200015260668 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.27 Cc1ncc(s1)CNCC=O 2230a_200000743601_200015260668 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.27 Cc1ncc(s1)COCC=O 7a_100000743366_200015260668 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.27 Cc1ncc(s1)CSCC=O 62a_100020635045_200015260668 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.27 Cc1ncc(s1)CSCC=O 62a_200015260668_100020635045 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.27 Nc1ncc(s1)COCC=O 7a_100011997359_200015260668 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.27 O=CCNCc1cc(cs1)Br 2230a_100000741024_200015260668 [1,1,0,0,0,0|1,0,0]=3 2267 B11R1.27 O=CCNCc1cc(cs1)Br 34a_100000741024_200009817547 [1,1,0,0,0,0|1,0,0]=3 2268 B11R1.27 O=CCNCc1ccc(o1)Br 34a_100000708654_200009817547 [1,1,0,0,0,0|1,1,0]=4 2269 B11R1.27 O=CCNCc1ccc(s1)Cl 2230a_100000737310_200015260668 [1,1,0,0,0,0|1,0,0]=3 2270 B11R1.27 O=CCNCc1cnc(s1)Br 2230a_100000726991_200015260668 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.27 O=CCNCc1cnc(s1)Cl 2230a_100000726635_200015260668 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.27 O=CCOCc1cc(cs1)Br 34a_100000238369_200009817547 [1,1,0,0,0,0|1,0,0]=3 2273 B11R1.27 O=CCOCc1cc(cs1)Br 7a_100000238369_200015260668 [1,1,0,0,0,0|1,0,0]=3 2274 B11R1.27 O=CCOCc1ccc(o1)Br 34a_100000246276_200009817547 [1,1,0,0,0,0|1,1,0]=4 2275 B11R1.27 O=CCOCc1ccc(o1)Br 7a_100000246276_200015260668 [1,1,0,0,0,0|1,1,0]=4 2276 B11R1.27 O=CCOCc1cnc(s1)Br 7a_100009816753_200015260668 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.27 O=CCOCc1cnc(s1)Cl 7a_100000697714_200015260668 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.27 O=CCOCc1nc(cs1)Br 7a_100012000107_200015260668 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.27 O=CCSCc1cc(cs1)Br 62a_100000746031_200015260668 [1,1,0,0,0,0|1,0,0]=3 2280 B11R1.27 O=CCSCc1cc(cs1)Br 62a_200015260668_100000746031 [1,1,0,0,0,0|1,0,0]=3 2281 B11R1.27 O=CCSCc1ccc(s1)Br 62a_100000708592_200015260668 [1,1,0,0,0,0|1,0,0]=3 2282 B11R1.27 O=CCSCc1ccc(s1)Br 62a_200015260668_100000708592 [1,1,0,0,0,0|1,0,0]=3 2283 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_100000185097_200015260668 [1,1,0,0,0,0|1,0,0]=3 2284 B11R1.27 O=CCSCc1ccc(s1)Cl 62a_200015260668_100000185097 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.27 O=CCSCc1cnc(s1)Br 62a_100000717027_200015260668 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.27 O=CCSCc1cnc(s1)Br 62a_200015260668_100000717027 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_100000058068_200015260668 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.27 O=CCSCc1cnc(s1)Cl 62a_200015260668_100000058068 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.27 OCCCSc1ccc(s1)Br 62a_100010197418_100011215043 [1,1,0,0,0,0|1,0,1]=4 2290 B11R1.27 OCCCSc1ccc(s1)Br 62a_100011215043_100010197418 [1,1,0,0,0,0|1,0,1]=4 2291 B11R1.27 OCCNCc1cc(cs1)Br 207a_100000210304_100000211722 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100000741024_100000211926 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.27 OCCNCc1cc(cs1)Br 2230a_100016997473_100000746031 [1,1,0,0,0,0|1,0,1]=4 2294 B11R1.27 OCCNCc1cc(cs1)Br 270004a_100000210304_100000211722 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.27 OCCNCc1cc(cs1)Br 34a_100000741024_100000211926 [1,1,0,0,0,0|1,0,1]=4 2296 B11R1.27 OCCNCc1cc(cs1)Br 34a_100016990907_100000746031 [1,1,0,0,0,0|1,0,1]=4 2297 B11R1.27 OCCNCc1cc(cs1)Cl 207a_100000210304_100000102487 [1,1,0,0,0,0|1,0,1]=4 2298 B11R1.27 OCCNCc1cc(cs1)Cl 270004a_100000210304_100000102487 [1,1,0,0,0,0|1,0,1]=4 2299 B11R1.27 OCCNCc1cc(cs1)I 207a_100000210304_100010179861 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.27 OCCNCc1ccc(s1)Br 207a_100000210304_100000179771 [1,1,0,0,0,0|1,0,1]=4 2301 B11R1.27 OCCNCc1ccc(s1)Br 2230a_100016997473_100000708592 [1,1,0,0,0,0|1,0,1]=4 2302 B11R1.27 OCCNCc1ccc(s1)Br 270004a_100000210304_100000179771 [1,1,0,0,0,0|1,0,1]=4 2303 B11R1.27 OCCNCc1ccc(s1)Br 34a_100016990907_100000708592 [1,1,0,0,0,0|1,0,1]=4 2304 B11R1.27 OCCNCc1ccc(s1)Cl 207a_100000210304_100000242774 [1,1,0,0,0,0|1,0,1]=4 2305 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100000737310_100000211926 [1,1,0,0,0,0|1,0,1]=4 2306 B11R1.27 OCCNCc1ccc(s1)Cl 2230a_100016997473_100000185097 [1,1,0,0,0,0|1,0,1]=4 2307 B11R1.27 OCCNCc1ccc(s1)Cl 270004a_100000210304_100000242774 [1,1,0,0,0,0|1,0,1]=4 2308 B11R1.27 OCCNCc1ccc(s1)Cl 34a_100016990907_100000185097 [1,1,0,0,0,0|1,0,1]=4 2309 B11R1.27 OCCOCc1cc(cs1)Br 34a_100000238369_100000211926 [1,1,0,0,0,0|1,0,1]=4 2310 B11R1.27 OCCOCc1cc(cs1)Br 7a_100000238369_100000211926 [1,1,0,0,0,0|1,0,1]=4 2311 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000211926_100000746031 [1,1,0,0,0,0|1,0,1]=4 2312 B11R1.27 OCCSCc1cc(cs1)Br 62a_100000746031_100000211926 [1,1,0,0,0,0|1,0,1]=4 2313 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000211926_100000708592 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.27 OCCSCc1ccc(s1)Br 62a_100000708592_100000211926 [1,1,0,0,0,0|1,0,1]=4 2315 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000185097_100000211926 [1,1,0,0,0,0|1,0,1]=4 2316 B11R1.27 OCCSCc1ccc(s1)Cl 62a_100000211926_100000185097 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.29 C=CCNC(C)c1cccs1 2230a_100000703493_100000210623 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.29 C=CCO[C@H](C)c1cccs1 7a_100000750433_100015514636 [1,1,0,0,0,0|2,0,0]=4 2319 B11R1.29 CC(NCC=O)c1cccs1 2230a_100000703493_200015260668 [1,1,0,0,0,0|1,0,0]=3 2320 B11R1.29 CC(NCC=O)c1nccs1 2230a_100000725601_200015260668 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.29 CC(NCCO)c1cccs1 2230a_100000703493_100000211926 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.29 CC(NCCO)c1cccs1 269862a_100000210304_100000185736 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.29 CC(OCC=O)c1nccs1 7a_100000751044_200015260668 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.29 C[C@@H](NCC=O)c1ccco1 2230a_100160469435_200015260668 [1,1,0,0,0,0|1,1,0]=4 2325 B11R1.29 C[C@@H](OCC=O)c1cccs1 7a_100000750433_200015260668 [1,1,0,0,0,0|1,0,0]=3 2326 B11R1.29 C[C@@H](OCCO)c1cccs1 7a_100000750433_100000211926 [1,1,0,0,0,0|1,0,1]=4 2327 B11R1.29 C[C@H](OCC=O)c1ccco1 34a_100000755270_200009817547 [1,1,0,0,0,0|1,1,0]=4 2328 B11R1.29 C[C@H](OCC=O)c1ccco1 7a_100000755270_200015260668 [1,1,0,0,0,0|1,1,0]=4 2329 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [1,1,0,0,0,0|1,0,1]=4 2330 B11R1.30 C=CCN(C)Cc1cccs1 2230a_100000184426_100000210623 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.30 C=CCN(C)Cc1cccs1 269982a_100000184426_100000210623 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.30 C=CCN(C)Cc1cccs1 270004a_100000225617_100000209959 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.30 CC(CCO)Sc1cccs1 62a_100009893172_100011215356 [1,1,0,0,0,0|1,0,1]=4 2334 B11R1.30 CC(CCO)Sc1cccs1 62a_100011215356_100009893172 [1,1,0,0,0,0|1,0,1]=4 2335 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [1,1,0,0,0,0|1,1,0]=4 2336 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [1,1,0,0,0,0|1,1,0]=4 2337 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [1,1,0,0,0,0|1,0,0]=3 2338 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [1,1,0,0,0,0|1,0,0]=3 2339 B11R1.30 CN(CC=O)Cc1nccs1 2230a_100000765864_200015260668 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.30 CN(CC=O)Cc1nccs1 269982a_100000765864_200015260668 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.30 CN(CCO)Cc1cccs1 2230a_100000184426_100000211926 [1,1,0,0,0,0|1,0,1]=4 2342 B11R1.30 CN(CCO)Cc1cccs1 2230a_200000200436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2343 B11R1.30 CN(CCO)Cc1cccs1 269982a_100000184426_100000211926 [1,1,0,0,0,0|1,0,1]=4 2344 B11R1.30 CN(CCO)Cc1cccs1 269982a_200000200436_200000210301 [1,1,0,0,0,0|1,0,1]=4 2345 B11R1.30 CN(CCO)Cc1cccs1 270004a_100000210263_100000209959 [1,1,0,0,0,0|1,0,1]=4 2346 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [1,1,0,0,0,0|0,0,2]=4 2347 B11R1.30 [13CH3]N(CCO)Cc1cccs1 2230a_200000200436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.30 [13CH3]N(CCO)Cc1cccs1 269982a_200000200436_200025704644 [1,1,0,0,0,0|1,0,1]=4 2349 B11R1.180 C=CCCSc1sccc1Br 62a_100000754431_100012361411 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.180 C=CCCSc1sccc1Br 62a_100012361411_100000754431 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.180 C=CCCSc1sccc1C 62a_100000754431_100010247149 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.180 C=CCCSc1sccc1C 62a_100010247149_100000754431 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.180 C=CCNCc1sccc1Br 270004a_100020586998_100000766043 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.180 C=CCNCc1sccc1C 2230a_100000238519_100000210623 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.180 C=CCNCc1sccc1C 270004a_100020586998_100000210881 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.180 C=CCNCc1sccc1C 34a_100000238519_100015514636 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.180 C=CCNCc1sccc1Cl 2230a_100011934584_100000210623 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.180 C=CCNCc1sccc1Cl 270004a_100020586998_100000722334 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.180 C=CCNCc1sccc1Cl 34a_100011934584_100015514636 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.180 C=CCOCc1sccc1Br 34a_100000702026_100015514636 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.180 C=CCOCc1sccc1C 34a_100000238368_100015514636 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.180 C=CCOCc1sccc1C 7a_100000238368_100015514636 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.180 C=CCOCc1sccc1Cl 34a_100000722387_100015514636 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.180 C=CCOCc1sccc1Cl 7a_100000722387_100015514636 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.180 Cc1ccoc1COCC=O 34a_100011273948_200009817547 [1,1,0,0,0,0|1,1,0]=4 2366 B11R1.180 Cc1ccoc1COCC=O 7a_100011273948_200015260668 [1,1,0,0,0,0|1,1,0]=4 2367 B11R1.180 Cc1ccsc1CNCC=O 2230a_100000238519_200015260668 [1,1,0,0,0,0|1,0,0]=3 2368 B11R1.180 Cc1ccsc1CNCC=O 34a_100000238519_200009817547 [1,1,0,0,0,0|1,0,0]=3 2369 B11R1.180 Cc1ccsc1CNCCO 207a_100000210304_100000210881 [1,1,0,0,0,0|1,0,1]=4 2370 B11R1.180 Cc1ccsc1CNCCO 2230a_100000238519_100000211926 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.180 Cc1ccsc1CNCCO 270004a_100000210304_100000210881 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.180 Cc1ccsc1CNCCO 34a_100000238519_100000211926 [1,1,0,0,0,0|1,0,1]=4 2373 B11R1.180 Cc1ccsc1COCC=O 34a_100000238368_200009817547 [1,1,0,0,0,0|1,0,0]=3 2374 B11R1.180 Cc1ccsc1COCC=O 7a_100000238368_200015260668 [1,1,0,0,0,0|1,0,0]=3 2375 B11R1.180 Cc1ccsc1COCCO 34a_100000238368_100000211926 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.180 Cc1ccsc1COCCO 7a_100000238368_100000211926 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.180 Cc1ccsc1SCCCO 62a_100010247149_100011215043 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.180 Cc1ccsc1SCCCO 62a_100011215043_100010247149 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.180 Cc1ncsc1CNCC=O 2230a_100000752186_200015260668 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.180 Cc1ncsc1COCC=O 34a_100000750112_200009817547 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.180 Cc1ncsc1COCC=O 7a_100000750112_200015260668 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.180 Cn1cccc1CNCC=O 34a_100011219357_200009817547 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.180 O=CCNCc1sccc1Cl 2230a_100011934584_200015260668 [1,1,0,0,0,0|1,0,0]=3 2384 B11R1.180 O=CCNCc1sccc1Cl 34a_100011934584_200009817547 [1,1,0,0,0,0|1,0,0]=3 2385 B11R1.180 O=CCOCc1sccc1Br 34a_100000702026_200009817547 [1,1,0,0,0,0|1,0,0]=3 2386 B11R1.180 O=CCOCc1sccc1Cl 34a_100000722387_200009817547 [1,1,0,0,0,0|1,0,0]=3 2387 B11R1.180 O=CCOCc1sccc1Cl 7a_100000722387_200015260668 [1,1,0,0,0,0|1,0,0]=3 2388 B11R1.180 O=CCOCc1scnc1Br 7a_100012000948_200015260668 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.180 OCCCSc1sccc1Br 62a_100011215043_100012361411 [1,1,0,0,0,0|1,0,1]=4 2390 B11R1.180 OCCCSc1sccc1Br 62a_100012361411_100011215043 [1,1,0,0,0,0|1,0,1]=4 2391 B11R1.180 OCCNCc1sccc1Br 207a_100000210304_100000766043 [1,1,0,0,0,0|1,0,1]=4 2392 B11R1.180 OCCNCc1sccc1Br 270004a_100000210304_100000766043 [1,1,0,0,0,0|1,0,1]=4 2393 B11R1.180 OCCNCc1sccc1Cl 207a_100000210304_100000722334 [1,1,0,0,0,0|1,0,1]=4 2394 B11R1.180 OCCNCc1sccc1Cl 2230a_100011934584_100000211926 [1,1,0,0,0,0|1,0,1]=4 2395 B11R1.180 OCCNCc1sccc1Cl 270004a_100000210304_100000722334 [1,1,0,0,0,0|1,0,1]=4 2396 B11R1.180 OCCNCc1sccc1Cl 34a_100011934584_100000211926 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.180 OCCOCc1sccc1Br 34a_100000702026_100000211926 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.180 OCCOCc1sccc1Cl 34a_100000722387_100000211926 [1,1,0,0,0,0|1,0,1]=4 2399 B11R1.180 OCCOCc1sccc1Cl 7a_100000722387_100000211926 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,1,0|2,0,0]=4 2401 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,1,0|2,0,0]=4 2402 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,1,0|2,0,0]=4 2403 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,1,0|2,0,0]=4 2404 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,1,0|2,0,0]=4 2405 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100000702099_100011215356 [0,1,0,0,1,0|2,0,0]=4 2406 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100011215356_100000702099 [0,1,0,0,1,0|2,0,0]=4 2407 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100009813875_100011215356 [0,1,0,0,1,0|2,0,0]=4 2408 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100011215356_100009813875 [0,1,0,0,1,0|2,0,0]=4 2409 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100011215356_100020610796 [0,1,0,0,1,0|1,0,1]=4 2410 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100020610796_100011215356 [0,1,0,0,1,0|1,0,1]=4 2411 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 2412 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 2413 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,1,0|2,0,0]=4 2414 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,1,0|2,0,0]=4 2415 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 2416 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 2417 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,1,0|2,0,0]=4 2418 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,1,0|2,0,0]=4 2419 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 2420 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 2421 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,1,0|2,0,0]=4 2422 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,1,0|2,0,0]=4 2423 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 2424 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 2425 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,1,0|2,0,0]=4 2426 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,1,0|2,0,0]=4 2427 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 2428 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 2429 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,1,0|2,0,0]=4 2430 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,1,0|2,0,0]=4 2431 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,1,0,0,1,0|2,0,0]=4 2432 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,1,0,0,1,0|2,0,0]=4 2433 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,1,0,0,1,0|1,0,1]=4 2434 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,1,0,0,1,0|1,0,1]=4 2435 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100000747473_100009876951 [0,1,0,0,1,0|2,0,0]=4 2436 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100009876951_100000747473 [0,1,0,0,1,0|2,0,0]=4 2437 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100009876951_100020667443 [0,1,0,0,1,0|1,0,1]=4 2438 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100020667443_100009876951 [0,1,0,0,1,0|1,0,1]=4 2439 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [0,1,0,0,1,0|2,0,0]=4 2440 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [0,1,0,0,1,0|2,0,0]=4 2441 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [0,1,0,0,1,0|1,0,1]=4 2442 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [0,1,0,0,1,0|1,0,1]=4 2443 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,1,0|1,0,1]=4 2444 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 2445 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 2446 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,1,0|2,0,0]=4 2447 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,1,0|2,0,0]=4 2448 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,1,0|2,0,0]=4 2449 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,1,0|2,0,0]=4 2450 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 2451 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 2452 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,1,0|2,0,0]=4 2453 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,1,0|2,0,0]=4 2454 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 2455 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 2456 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,1,0|2,0,0]=4 2457 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,1,0|2,0,0]=4 2458 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,1,0,0,1,0|2,0,0]=4 2459 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,1,0,0,1,0|2,0,0]=4 2460 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,1,0,0,1,0|1,0,1]=4 2461 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,1,0,0,1,0|1,0,1]=4 2462 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,1,0|2,0,0]=4 2463 B11R1.90 NC(=O)CSc1sccc1Br 62a_100000747473_100012361411 [0,1,0,0,1,0|2,0,0]=4 2464 B11R1.90 NC(=O)CSc1sccc1Br 62a_100012361411_100000747473 [0,1,0,0,1,0|2,0,0]=4 2465 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100012361411_100020667443 [0,1,0,0,1,0|1,0,1]=4 2466 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100020667443_100012361411 [0,1,0,0,1,0|1,0,1]=4 2467 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,1|2,0,0]=4 2468 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,1|2,0,0]=4 2469 B13R1.45 CC(NCC(=O)O)c1cnccn1 269956a_100016091260_200000703233 [0,1,0,0,0,1|2,0,0]=4 2470 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,1|2,0,0]=4 2471 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,1|2,0,0]=4 2472 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,1|2,0,0]=4 2473 B13R1.149 Cc1cc(ccn1)CNCC(=O)O 269956a_100016091260_200020672517 [0,1,0,0,0,1|2,0,0]=4 2474 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,1|2,0,0]=4 2475 B13R1.149 Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000757606 [0,1,0,0,0,1|2,0,0]=4 2476 B13R1.149 Cc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000718516 [0,1,0,0,0,1|2,0,0]=4 2477 B13R1.149 Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_100016988603 [0,1,0,0,0,1|2,0,0]=4 2478 B13R1.149 O=C(O)CNCc1cc(ccn1)Br 269956a_100016091260_100010173614 [0,1,0,0,0,1|2,0,0]=4 2479 B13R1.149 O=C(O)CNCc1cc(ccn1)Cl 269956a_100016091260_100016988179 [0,1,0,0,0,1|2,0,0]=4 2480 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,1|2,0,0]=4 2481 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,1|2,0,0]=4 2482 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,1|2,0,0]=4 2483 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,1|2,0,0]=4 2484 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,1|2,0,0]=4 2485 B13R1.149 O=C(O)CNCc1cccc(n1)Br 269956a_100016091260_100009889011 [0,1,0,0,0,1|2,0,0]=4 2486 B13R1.149 O=C(O)CNCc1cccc(n1)Cl 269956a_100016091260_100000086093 [0,1,0,0,0,1|2,0,0]=4 2487 B13R1.149 O=C(O)CNCc1cccc(n1)F 269956a_100016091260_100009819644 [0,1,0,0,0,1|2,0,0]=4 2488 B13R1.149 O=C(O)CNCc1ccnc(c1)Br 269956a_100016091260_100010254460 [0,1,0,0,0,1|2,0,0]=4 2489 B13R1.149 O=C(O)CNCc1ccnc(c1)Cl 269956a_100016091260_100000764220 [0,1,0,0,0,1|2,0,0]=4 2490 B13R1.149 O=C(O)CNCc1ccnc(n1)Cl 269956a_100016091260_100000099655 [0,1,0,0,0,1|2,0,0]=4 2491 B13R1.149 O=C(O)CNCc1cncc(c1)Br 269956a_100016091260_100000738771 [0,1,0,0,0,1|2,0,0]=4 2492 B13R1.149 O=C(O)CNCc1cncc(c1)Cl 269956a_100016091260_100016992070 [0,1,0,0,0,1|2,0,0]=4 2493 B13R1.149 O=C(O)CNCc1cncc(c1)F 269956a_100016091260_100000725299 [0,1,0,0,0,1|2,0,0]=4 2494 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,1|2,0,0]=4 2495 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,1|2,0,0]=4 2496 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,1|2,0,0]=4 2497 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,1|2,0,0]=4 2498 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,1|2,0,0]=4 2499 B13R1.158 Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000696600 [0,1,0,0,0,1|2,0,0]=4 2500 B13R1.158 Cc1ccncc1CNCC(=O)O 269956a_100016091260_100000690890 [0,1,0,0,0,1|2,0,0]=4 2501 B13R1.158 Cc1cnccc1CNCC(=O)O 269956a_100016091260_100020672808 [0,1,0,0,0,1|2,0,0]=4 2502 B13R1.158 Cc1ncccc1CNCC(=O)O 269956a_100016091260_100000732876 [0,1,0,0,0,1|2,0,0]=4 2503 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,1|2,0,0]=4 2504 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,1|2,0,0]=4 2505 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,1|2,0,0]=4 2506 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,1|2,0,0]=4 2507 B13R1.158 O=C(O)CNCc1cccnc1Br 269956a_100016091260_100010140945 [0,1,0,0,0,1|2,0,0]=4 2508 B13R1.158 O=C(O)CNCc1cccnc1Cl 269956a_100016091260_100000045678 [0,1,0,0,0,1|2,0,0]=4 2509 B13R1.158 O=C(O)CNCc1cccnc1F 269956a_100016091260_100000099810 [0,1,0,0,0,1|2,0,0]=4 2510 B13R1.158 O=C(O)CNCc1ccncc1Cl 269956a_100016091260_100000763264 [0,1,0,0,0,1|2,0,0]=4 2511 B13R1.158 O=C(O)CNCc1ncccc1Br 269956a_100016091260_100025702911 [0,1,0,0,0,1|2,0,0]=4 2512 B13R1.158 O=C(O)CNCc1ncccc1Cl 269956a_100016091260_100000099807 [0,1,0,0,0,1|2,0,0]=4 2513 B13R1.158 O=C(O)CNCc1ncccc1F 269956a_100016091260_100000104219 [0,1,0,0,0,1|2,0,0]=4 2514 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,1,0,0,0,1|2,0,0]=4 2515 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,1|2,0,0]=4 2516 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,1|2,0,0]=4 2517 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,1|2,0,0]=4 2518 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,1|2,0,0]=4 2519 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,1,0,0,0,1|2,0,0]=4 2520 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,0,0,0,1|2,0,0]=4 2521 B13R1.348 CN(CC(=O)O)Cc1cccnn1 269956a_100000746989_100016990269 [0,1,0,0,0,1|2,0,0]=4 2522 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,1,0,0,0,1|2,0,0]=4 2523 B13R1.348 CN(CC(=O)O)Cc1cnccn1 269956a_100000746989_100016995436 [0,1,0,0,0,1|2,0,0]=4 2524 B13R1.348 CN(CC(=O)O)Cc1ncccn1 269956a_100000746989_100000703007 [0,1,0,0,0,1|2,0,0]=4 2525 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,1|2,0,0]=4 2526 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|2,0,0]=4 2527 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,1|2,0,0]=4 2528 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|2,0,0]=4 2529 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|2,0,0]=4 2530 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,1,0,0,0,1|2,0,0]=4 2531 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,1,0,0,0,1|2,0,0]=4 2532 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O 269956a_100000743915_100016990269 [0,1,0,0,0,1|2,0,0]=4 2533 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,1,0,0,0,1|2,0,0]=4 2534 B13R1.351 C[C@H](NCc1cnccn1)C(=O)O 269956a_100000743915_100016995436 [0,1,0,0,0,1|2,0,0]=4 2535 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O 269956a_100000743915_100000703007 [0,1,0,0,0,1|2,0,0]=4 2536 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,1|2,0,0]=4 2537 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,1|2,0,0]=4 2538 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,1|2,0,0]=4 2539 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,1|2,0,0]=4 2540 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,1|2,0,0]=4 2541 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,1|2,0,0]=4 2542 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,1|2,0,0]=4 2543 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,1|2,0,0]=4 2544 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.513 Cc1cnc(nc1)CNCC(=O)O 269956a_100016091260_100000685645 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [0,1,0,0,0,1|2,0,0]=4 2556 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.513 O=C(O)CNCc1ccc(nn1)Cl 269956a_100016091260_100016992710 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.513 O=C(O)CNCc1ncc(cn1)Br 269956a_100016091260_100010064664 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,1|2,0,0]=4 2566 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,1,0,0,0,1|2,0,0]=4 2570 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,1|2,0,0]=4 2571 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,1|2,0,0]=4 2572 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,1|2,0,0]=4 2573 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,1,0,0,0,1|2,0,0]=4 2574 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 2576 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 2577 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.718 CNC(=O)CCCc1ccccn1 11a_106832991635_100000752327 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.718 CNC(=O)CCCc1ccccn1 1626a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2580 B13R1.718 CNC(=O)CCCc1ccccn1 240690a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.718 CNC(=O)CCCc1ccccn1 527a_100102657272_100000752327 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.718 CNC(=O)CCCc1ccncc1 11a_106832991635_100020654287 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.718 CNC(=O)CCCc1ccncc1 1626a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.718 CNC(=O)CCCc1ccncc1 240690a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 2585 B13R1.718 CNC(=O)CCCc1ccncc1 527a_100102657272_100020654287 [0,1,0,0,0,1|2,0,0]=4 2586 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,1,0,0,0,1|2,0,0]=4 2590 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,1|2,0,0]=4 2594 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,1,0,0,0,1|2,0,0]=4 2595 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,1,0,0,0,1|2,0,0]=4 2596 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,1,0,0,0,1|2,0,0]=4 2597 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,1,0,0,0,1|2,0,0]=4 2598 B13R1.718 COC(=O)CCSc1cccnn1 62a_100000204255_100016991348 [0,1,0,0,0,1|2,0,0]=4 2599 B13R1.718 COC(=O)CCSc1cccnn1 62a_100016991348_100000204255 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,1,0,0,0,1|2,0,0]=4 2602 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000204255_100000703185 [0,1,0,0,0,1|2,0,0]=4 2603 B13R1.718 COC(=O)CCSc1ccncn1 62a_100000703185_100000204255 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000204255_100000211759 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.718 COC(=O)CCSc1cnccn1 62a_100000211759_100000204255 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000204255_100000211032 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.718 COC(=O)CCSc1ncccn1 62a_100000211032_100000204255 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.718 COC(=O)CNCc1cccnn1 2230a_100159270163_100000747449 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,1,0,0,0,1|2,0,0]=4 2618 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.718 COC(=O)CSCc1cccnn1 62a_100000747449_100016990269 [0,1,0,0,0,1|2,0,0]=4 2620 B13R1.718 COC(=O)CSCc1cccnn1 62a_100016990269_100000747449 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.718 COC(=O)CSCc1cnccn1 62a_100000747449_100016995436 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.718 COC(=O)CSCc1cnccn1 62a_100016995436_100000747449 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000703007_100000747449 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.718 COC(=O)CSCc1ncccn1 62a_100000747449_100000703007 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|1,0,0]=3 2631 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|2,0,0]=4 2634 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|2,0,0]=4 2635 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,1|2,0,0]=4 2638 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,1|2,0,0]=4 2639 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.718 O=C(CO)NCCc1cnccn1 240690a_100000723456_100000210174 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.718 O=C(CO)NCCc1cnccn1 527a_100000723456_100000210174 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.128 C=C(Br)CCOCc1cc(cs1)Br 34a_100009813270_100000746031 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.128 C=C(Br)CCOCc1ccc(s1)Br 34a_100009813270_100000708592 [0,1,0,0,0,1|2,0,0]=4 2646 B13R1.128 C=C(Br)CCOCc1ccc(s1)Cl 34a_100009813270_100000185097 [0,1,0,0,0,1|2,0,0]=4 2647 B13R1.128 C=C(C)CCNCc1cc(cs1)Br 2230a_100000741024_100000730704 [0,1,0,0,0,1|2,0,0]=4 2648 B13R1.128 C=C(C)CCNCc1cc(cs1)Br 34a_100000741024_100000730704 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.128 C=C(C)CCNCc1cc(cs1)C 2230a_100015204214_100000730704 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.128 C=C(C)CCNCc1cc(cs1)C 34a_100015204214_100000730704 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.128 C=C(C)CCNCc1ccc(s1)C 2230a_100000238518_100000730704 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.128 C=C(C)CCNCc1ccc(s1)Cl 2230a_100000737310_100000730704 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.128 C=C(C)CCOCc1cc(cs1)Br 34a_100000238369_100000730704 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.128 C=C(C)CCOCc1cc(cs1)Br 34a_100000764851_100000746031 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.128 C=C(C)CCOCc1cc(cs1)Br 7a_100000238369_100000730704 [0,1,0,0,0,1|2,0,0]=4 2656 B13R1.128 C=C(C)CCOCc1cc(cs1)C 34a_200000068372_100000730704 [0,1,0,0,0,1|2,0,0]=4 2657 B13R1.128 C=C(C)CCOCc1cc(cs1)C 7a_200000068372_100000730704 [0,1,0,0,0,1|2,0,0]=4 2658 B13R1.128 C=C(C)CCOCc1ccc(s1)Br 34a_100000764851_100000708592 [0,1,0,0,0,1|2,0,0]=4 2659 B13R1.128 C=C(C)CCOCc1ccc(s1)C 34a_100000238367_100000730704 [0,1,0,0,0,1|2,0,0]=4 2660 B13R1.128 C=C(C)CCOCc1ccc(s1)Cl 34a_100000764851_100000185097 [0,1,0,0,0,1|2,0,0]=4 2661 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000730704_100000746031 [0,1,0,0,0,1|2,0,0]=4 2662 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000746031_100000730704 [0,1,0,0,0,1|2,0,0]=4 2663 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000708592_100000730704 [0,1,0,0,0,1|2,0,0]=4 2664 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000730704_100000708592 [0,1,0,0,0,1|2,0,0]=4 2665 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000185097_100000730704 [0,1,0,0,0,1|2,0,0]=4 2666 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000730704_100000185097 [0,1,0,0,0,1|2,0,0]=4 2667 B13R1.128 C=C(C)CNCCc1ccc(s1)Br 2230a_100000217605_100000748629 [0,1,0,0,0,1|2,0,0]=4 2668 B13R1.128 C=C(F)CNCCc1ccc(s1)Br 2230a_100000217605_100009893438 [0,1,0,0,0,1|2,0,0]=4 2669 B13R1.128 CC(=O)CCCSc1cc(cs1)C 62a_100009876951_100011215641 [0,1,0,0,0,1|1,0,0]=3 2670 B13R1.128 CC(=O)CCCSc1cc(cs1)C 62a_100011215641_100009876951 [0,1,0,0,0,1|1,0,0]=3 2671 B13R1.128 CC(=O)CCCSc1cc(ns1)C 62a_100009815735_100011215641 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.128 CC(=O)CCCSc1cc(ns1)C 62a_100011215641_100009815735 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.128 CC(=O)CCCSc1ccc(s1)Br 62a_100010197418_100011215641 [0,1,0,0,0,1|1,0,0]=3 2674 B13R1.128 CC(=O)CCCSc1ccc(s1)Br 62a_100011215641_100010197418 [0,1,0,0,0,1|1,0,0]=3 2675 B13R1.128 CC(=O)CCCSc1ccc(s1)C 62a_100000031368_100011215641 [0,1,0,0,0,1|1,0,0]=3 2676 B13R1.128 CC(=O)CCCSc1ccc(s1)C 62a_100011215641_100000031368 [0,1,0,0,0,1|1,0,0]=3 2677 B13R1.128 CC(=O)CCCSc1cnc(s1)Br 62a_100011215641_100012357534 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.128 CC(=O)CCCSc1cnc(s1)Br 62a_100012357534_100011215641 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.128 CC(=O)CCCSc1cnc(s1)C 62a_100000764884_100011215641 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.128 CC(=O)CCCSc1cnc(s1)C 62a_100011215641_100000764884 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.128 CC(=O)CCCSc1cnc(s1)N 62a_100000718969_100011215641 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.128 CC(=O)CCCSc1cnc(s1)N 62a_100011215641_100000718969 [0,1,0,0,0,1|2,0,0]=4 2683 B13R1.128 CC(=O)CCCSc1nc(cs1)Br 62a_100011215641_200016082925 [0,1,0,0,0,1|2,0,0]=4 2684 B13R1.128 CC(=O)CCCSc1nc(cs1)Br 62a_200016082925_100011215641 [0,1,0,0,0,1|2,0,0]=4 2685 B13R1.128 CC(=O)CCCSc1nc(cs1)C 62a_100011215641_100011291629 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.128 CC(=O)CCCSc1nc(cs1)C 62a_100011291629_100011215641 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.128 CC(=O)CCCSc1nc(cs1)N 62a_100011215641_200015188442 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.128 CC(=O)CCCSc1nc(cs1)N 62a_200015188442_100011215641 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.128 CC(=O)CCCSc1ncc(s1)C 62a_100000690809_100011215641 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.128 CC(=O)CCCSc1ncc(s1)C 62a_100011215641_100000690809 [0,1,0,0,0,1|2,0,0]=4 2691 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 34a_100000759926_100000746031 [0,1,0,0,0,1|1,0,0]=3 2692 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000053229 [0,1,0,0,0,1|1,0,0]=3 2693 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000759926_100000746031 [0,1,0,0,0,1|1,0,0]=3 2694 B13R1.128 CC(=O)CCOCc1cc(cs1)C 7a_200000068372_100000053229 [0,1,0,0,0,1|1,0,0]=3 2695 B13R1.128 CC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000053229 [0,1,0,0,0,1|1,1,0]=4 2696 B13R1.128 CC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000053229 [0,1,0,0,0,1|1,1,0]=4 2697 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 34a_100000759926_100000708592 [0,1,0,0,0,1|1,0,0]=3 2698 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 7a_100000759926_100000708592 [0,1,0,0,0,1|1,0,0]=3 2699 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 34a_100000759926_100000185097 [0,1,0,0,0,1|1,0,0]=3 2700 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 7a_100000759926_100000185097 [0,1,0,0,0,1|1,0,0]=3 2701 B13R1.128 CC(=O)CCOCc1cnc(s1)Br 34a_100000759926_100000717027 [0,1,0,0,0,1|2,0,0]=4 2702 B13R1.128 CC(=O)CCOCc1cnc(s1)Br 7a_100000759926_100000717027 [0,1,0,0,0,1|2,0,0]=4 2703 B13R1.128 CC(=O)CCOCc1cnc(s1)Br 7a_100009816753_100000053229 [0,1,0,0,0,1|2,0,0]=4 2704 B13R1.128 CC(=O)CCOCc1cnc(s1)C 34a_100000759926_100020635045 [0,1,0,0,0,1|2,0,0]=4 2705 B13R1.128 CC(=O)CCOCc1cnc(s1)C 7a_100000743366_100000053229 [0,1,0,0,0,1|2,0,0]=4 2706 B13R1.128 CC(=O)CCOCc1cnc(s1)C 7a_100000759926_100020635045 [0,1,0,0,0,1|2,0,0]=4 2707 B13R1.128 CC(=O)CCOCc1cnc(s1)Cl 34a_100000759926_100000058068 [0,1,0,0,0,1|2,0,0]=4 2708 B13R1.128 CC(=O)CCOCc1cnc(s1)Cl 7a_100000697714_100000053229 [0,1,0,0,0,1|2,0,0]=4 2709 B13R1.128 CC(=O)CCOCc1cnc(s1)Cl 7a_100000759926_100000058068 [0,1,0,0,0,1|2,0,0]=4 2710 B13R1.128 CC(=O)CCOCc1cnc(s1)N 7a_100011997359_100000053229 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.128 CC(=O)CCOCc1nc(cs1)Br 7a_100012000107_100000053229 [0,1,0,0,0,1|2,0,0]=4 2712 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000053229_100000746031 [0,1,0,0,0,1|1,0,0]=3 2713 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000053229 [0,1,0,0,0,1|1,0,0]=3 2714 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000053229_100000708592 [0,1,0,0,0,1|1,0,0]=3 2715 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000053229 [0,1,0,0,0,1|1,0,0]=3 2716 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000053229_100000185097 [0,1,0,0,0,1|1,0,0]=3 2717 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000053229 [0,1,0,0,0,1|1,0,0]=3 2718 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000053229_100000717027 [0,1,0,0,0,1|2,0,0]=4 2719 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000053229 [0,1,0,0,0,1|2,0,0]=4 2720 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100000053229_100020635045 [0,1,0,0,0,1|2,0,0]=4 2721 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000053229 [0,1,0,0,0,1|2,0,0]=4 2722 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000053229_100000058068 [0,1,0,0,0,1|2,0,0]=4 2723 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000053229 [0,1,0,0,0,1|2,0,0]=4 2724 B13R1.128 CC(=O)NCCCc1nc(cs1)C 11a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.128 CC(=O)NCCCc1nc(cs1)C 1626a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.128 CC(=O)NCCCc1nc(cs1)C 240690a_100000749783_100015343762 [0,1,0,0,0,1|2,0,0]=4 2727 B13R1.128 CC(=O)NCCCc1nc(cs1)C 527a_100000749783_100103153847 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.128 CC(=O)NCCSc1cc(cs1)C 62a_100000189650_100009876951 [0,1,0,0,0,1|2,0,0]=4 2729 B13R1.128 CC(=O)NCCSc1cc(cs1)C 62a_100009876951_100000189650 [0,1,0,0,0,1|2,0,0]=4 2730 B13R1.128 CC(=O)NCCSc1ccc(s1)Br 62a_100000189650_100010197418 [0,1,0,0,0,1|2,0,0]=4 2731 B13R1.128 CC(=O)NCCSc1ccc(s1)Br 62a_100010197418_100000189650 [0,1,0,0,0,1|2,0,0]=4 2732 B13R1.128 CC(=O)NCCSc1ccc(s1)C 62a_100000031368_100000189650 [0,1,0,0,0,1|2,0,0]=4 2733 B13R1.128 CC(=O)NCCSc1ccc(s1)C 62a_100000189650_100000031368 [0,1,0,0,0,1|2,0,0]=4 2734 B13R1.128 CC(=O)OCCSc1cc(cs1)C 62a_100009814007_100009876951 [0,1,0,0,0,1|2,0,0]=4 2735 B13R1.128 CC(=O)OCCSc1cc(cs1)C 62a_100009876951_100009814007 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.128 CC(=O)OCCSc1ccc(s1)Br 62a_100009814007_100010197418 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.128 CC(=O)OCCSc1ccc(s1)Br 62a_100010197418_100009814007 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.128 CC(=O)OCCSc1ccc(s1)C 62a_100000031368_100009814007 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.128 CC(=O)OCCSc1ccc(s1)C 62a_100009814007_100000031368 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.128 CC(=O)OCNCc1cc(cs1)Br 34a_100000741024_100009813279 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.128 CC(=O)OCNCc1cc(cs1)C 34a_100015204214_100009813279 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.128 CC(=O)OCOCc1cc(cs1)Br 34a_100000238369_100009813279 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.128 CC(=O)OCOCc1cc(cs1)C 34a_200000068372_100009813279 [0,1,0,0,0,1|2,0,0]=4 2744 B13R1.128 CC(=O)OCOCc1ccc(s1)C 34a_100000238367_100009813279 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000076356_100000746031 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000746031_100000076356 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000076356_100000708592 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000708592_100000076356 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000076356_100000185097 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000185097_100000076356 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.128 CC(O)CCCSc1ccc(s1)Br 62a_100010197418_200000718107 [0,1,0,0,0,1|1,0,1]=4 2752 B13R1.128 CC(O)CCCSc1ccc(s1)Br 62a_200000718107_100010197418 [0,1,0,0,0,1|1,0,1]=4 2753 B13R1.128 CC(O)CCNCc1cc(cs1)Br 207a_200000755665_100000211722 [0,1,0,0,0,1|1,0,1]=4 2754 B13R1.128 CC(O)CCNCc1cc(cs1)Br 2230a_100000741024_100012276601 [0,1,0,0,0,1|1,0,1]=4 2755 B13R1.128 CC(O)CCNCc1cc(cs1)Br 2230a_200000755665_100000746031 [0,1,0,0,0,1|1,0,1]=4 2756 B13R1.128 CC(O)CCNCc1cc(cs1)Br 270004a_200000755665_100000211722 [0,1,0,0,0,1|1,0,1]=4 2757 B13R1.128 CC(O)CCNCc1cc(cs1)Br 34a_100000741024_100012276601 [0,1,0,0,0,1|1,0,1]=4 2758 B13R1.128 CC(O)CCNCc1cc(cs1)Cl 207a_200000755665_100000102487 [0,1,0,0,0,1|1,0,1]=4 2759 B13R1.128 CC(O)CCNCc1cc(cs1)Cl 270004a_200000755665_100000102487 [0,1,0,0,0,1|1,0,1]=4 2760 B13R1.128 CC(O)CCNCc1cc(cs1)I 207a_200000755665_100010179861 [0,1,0,0,0,1|1,0,1]=4 2761 B13R1.128 CC(O)CCNCc1ccc(s1)Br 207a_200000755665_100000179771 [0,1,0,0,0,1|1,0,1]=4 2762 B13R1.128 CC(O)CCNCc1ccc(s1)Br 2230a_200000755665_100000708592 [0,1,0,0,0,1|1,0,1]=4 2763 B13R1.128 CC(O)CCNCc1ccc(s1)Br 270004a_200000755665_100000179771 [0,1,0,0,0,1|1,0,1]=4 2764 B13R1.128 CC(O)CCNCc1ccc(s1)Cl 207a_200000755665_100000242774 [0,1,0,0,0,1|1,0,1]=4 2765 B13R1.128 CC(O)CCNCc1ccc(s1)Cl 2230a_100000737310_100012276601 [0,1,0,0,0,1|1,0,1]=4 2766 B13R1.128 CC(O)CCNCc1ccc(s1)Cl 2230a_200000755665_100000185097 [0,1,0,0,0,1|1,0,1]=4 2767 B13R1.128 CC(O)CCNCc1ccc(s1)Cl 270004a_200000755665_100000242774 [0,1,0,0,0,1|1,0,1]=4 2768 B13R1.128 CC(O)CCOCc1cc(cs1)Br 34a_100000238369_100012276601 [0,1,0,0,0,1|1,0,1]=4 2769 B13R1.128 CC(O)CCOCc1cc(cs1)Br 7a_100000238369_100012276601 [0,1,0,0,0,1|1,0,1]=4 2770 B13R1.128 CC(O)CCSCc1cc(cs1)Br 62a_100000746031_100012276601 [0,1,0,0,0,1|1,0,1]=4 2771 B13R1.128 CC(O)CCSCc1cc(cs1)Br 62a_100012276601_100000746031 [0,1,0,0,0,1|1,0,1]=4 2772 B13R1.128 CC(O)CCSCc1ccc(s1)Br 62a_100000708592_100012276601 [0,1,0,0,0,1|1,0,1]=4 2773 B13R1.128 CC(O)CCSCc1ccc(s1)Br 62a_100012276601_100000708592 [0,1,0,0,0,1|1,0,1]=4 2774 B13R1.128 CC(O)CCSCc1ccc(s1)Cl 62a_100000185097_100012276601 [0,1,0,0,0,1|1,0,1]=4 2775 B13R1.128 CC(O)CCSCc1ccc(s1)Cl 62a_100012276601_100000185097 [0,1,0,0,0,1|1,0,1]=4 2776 B13R1.128 CC(O)CNCCc1ccc(s1)Br 2230a_100000217605_100011218427 [0,1,0,0,0,1|1,0,1]=4 2777 B13R1.128 C[C@@H](O)CNCCc1ccc(s1)Br 2230a_100000217605_100009817552 [0,1,0,0,0,1|1,0,1]=4 2778 B13R1.128 Cc1cc(sn1)SCCCC(=O)N 62a_100009815735_100102525003 [0,1,0,0,0,1|2,0,0]=4 2779 B13R1.128 Cc1cc(sn1)SCCCC(=O)N 62a_100102525003_100009815735 [0,1,0,0,0,1|2,0,0]=4 2780 B13R1.128 Cc1ccc(o1)CCNCC(=O)N 2230a_100000739271_100000747473 [0,1,0,0,0,1|1,1,0]=4 2781 B13R1.128 Cc1ccc(o1)CCNCC(=O)N 34a_100000739271_100000187820 [0,1,0,0,0,1|1,1,0]=4 2782 B13R1.128 Cc1ccc(o1)CCNCC(=O)[O-] 34a_100000739271_100020667443 [0,1,0,0,0,1|0,1,1]=4 2783 B13R1.128 Cc1ccc(o1)CCOCC(=O)N 34a_100012161071_100000187820 [0,1,0,0,0,1|1,1,0]=4 2784 B13R1.128 Cc1ccc(o1)CCOCC(=O)N 7a_100012161071_100000187820 [0,1,0,0,0,1|1,1,0]=4 2785 B13R1.128 Cc1ccc(o1)CCOCC(=O)[O-] 34a_100012161071_100020667443 [0,1,0,0,0,1|0,1,1]=4 2786 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 207a_100000740010_100000183696 [0,1,0,0,0,1|1,1,0]=4 2787 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 34a_100011194323_100000731001 [0,1,0,0,0,1|1,1,0]=4 2788 B13R1.128 Cc1ccc(o1)COCCC(=O)N 34a_100011232665_100000731001 [0,1,0,0,0,1|1,1,0]=4 2789 B13R1.128 Cc1ccc(o1)COCCC(=O)N 7a_100011232665_100000744528 [0,1,0,0,0,1|1,1,0]=4 2790 B13R1.128 Cc1ccc(s1)CNCCC(=O)N 207a_100000740010_100000211121 [0,1,0,0,0,1|1,0,0]=3 2791 B13R1.128 Cc1ccc(s1)CNCCC(=O)N 2230a_100000238518_100000744528 [0,1,0,0,0,1|1,0,0]=3 2792 B13R1.128 Cc1ccc(s1)CNCCC(C)O 207a_200000755665_100000211121 [0,1,0,0,0,1|1,0,1]=4 2793 B13R1.128 Cc1ccc(s1)CNCCC(C)O 2230a_100000238518_100012276601 [0,1,0,0,0,1|1,0,1]=4 2794 B13R1.128 Cc1ccc(s1)CNCCC(C)O 270004a_200000755665_100000211121 [0,1,0,0,0,1|1,0,1]=4 2795 B13R1.128 Cc1ccc(s1)COCCC(=O)N 34a_100000238367_100000731001 [0,1,0,0,0,1|1,0,0]=3 2796 B13R1.128 Cc1ccc(s1)COCCC(C)O 34a_100000238367_100012276601 [0,1,0,0,0,1|1,0,1]=4 2797 B13R1.128 Cc1ccc(s1)SCCCC(=O)N 62a_100000031368_100102525003 [0,1,0,0,0,1|1,0,0]=3 2798 B13R1.128 Cc1ccc(s1)SCCCC(=O)N 62a_100102525003_100000031368 [0,1,0,0,0,1|1,0,0]=3 2799 B13R1.128 Cc1ccc(s1)SCCCC(C)O 62a_100000031368_200000718107 [0,1,0,0,0,1|1,0,1]=4 2800 B13R1.128 Cc1ccc(s1)SCCCC(C)O 62a_200000718107_100000031368 [0,1,0,0,0,1|1,0,1]=4 2801 B13R1.128 Cc1ccc(s1)SCCNC(=O)N 62a_100000031368_200000034859 [0,1,0,0,0,1|2,0,0]=4 2802 B13R1.128 Cc1ccc(s1)SCCNC(=O)N 62a_200000034859_100000031368 [0,1,0,0,0,1|2,0,0]=4 2803 B13R1.128 Cc1ccc(s1)SCCOC(=O)N 62a_100000031368_200011214921 [0,1,0,0,0,1|2,0,0]=4 2804 B13R1.128 Cc1ccc(s1)SCCOC(=O)N 62a_200011214921_100000031368 [0,1,0,0,0,1|2,0,0]=4 2805 B13R1.128 Cc1ccn(n1)CCNCC(=O)O 269956a_100016091260_200011934056 [0,1,0,0,0,1|2,0,0]=4 2806 B13R1.128 Cc1cnc(s1)CNCCC(=O)N 207a_100000740010_100011361622 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.128 Cc1cnc(s1)SCCCC(=O)N 62a_100000690809_100102525003 [0,1,0,0,0,1|2,0,0]=4 2808 B13R1.128 Cc1cnc(s1)SCCCC(=O)N 62a_100102525003_100000690809 [0,1,0,0,0,1|2,0,0]=4 2809 B13R1.128 Cc1csc(c1)CNCCC(=O)N 207a_100000740010_100102525248 [0,1,0,0,0,1|1,0,0]=3 2810 B13R1.128 Cc1csc(c1)CNCCC(=O)N 2230a_100015204214_100000744528 [0,1,0,0,0,1|1,0,0]=3 2811 B13R1.128 Cc1csc(c1)CNCCC(=O)N 34a_100015204214_100000731001 [0,1,0,0,0,1|1,0,0]=3 2812 B13R1.128 Cc1csc(c1)CNCCC(C)O 207a_200000755665_100102525248 [0,1,0,0,0,1|1,0,1]=4 2813 B13R1.128 Cc1csc(c1)CNCCC(C)O 2230a_100015204214_100012276601 [0,1,0,0,0,1|1,0,1]=4 2814 B13R1.128 Cc1csc(c1)CNCCC(C)O 270004a_200000755665_100102525248 [0,1,0,0,0,1|1,0,1]=4 2815 B13R1.128 Cc1csc(c1)CNCCC(C)O 34a_100015204214_100012276601 [0,1,0,0,0,1|1,0,1]=4 2816 B13R1.128 Cc1csc(c1)COCCC(=O)N 34a_200000068372_100000731001 [0,1,0,0,0,1|1,0,0]=3 2817 B13R1.128 Cc1csc(c1)COCCC(=O)N 7a_200000068372_100000744528 [0,1,0,0,0,1|1,0,0]=3 2818 B13R1.128 Cc1csc(c1)COCCC(C)O 34a_200000068372_100012276601 [0,1,0,0,0,1|1,0,1]=4 2819 B13R1.128 Cc1csc(c1)COCCC(C)O 7a_200000068372_100012276601 [0,1,0,0,0,1|1,0,1]=4 2820 B13R1.128 Cc1csc(c1)SCCCC(=O)N 62a_100009876951_100102525003 [0,1,0,0,0,1|1,0,0]=3 2821 B13R1.128 Cc1csc(c1)SCCCC(=O)N 62a_100102525003_100009876951 [0,1,0,0,0,1|1,0,0]=3 2822 B13R1.128 Cc1csc(c1)SCCCC(C)O 62a_100009876951_200000718107 [0,1,0,0,0,1|1,0,1]=4 2823 B13R1.128 Cc1csc(c1)SCCCC(C)O 62a_200000718107_100009876951 [0,1,0,0,0,1|1,0,1]=4 2824 B13R1.128 Cc1csc(c1)SCCNC(=O)N 62a_100009876951_200000034859 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.128 Cc1csc(c1)SCCNC(=O)N 62a_200000034859_100009876951 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.128 Cc1csc(c1)SCCOC(=O)N 62a_100009876951_200011214921 [0,1,0,0,0,1|2,0,0]=4 2827 B13R1.128 Cc1csc(c1)SCCOC(=O)N 62a_200011214921_100009876951 [0,1,0,0,0,1|2,0,0]=4 2828 B13R1.128 Cc1csc(n1)CCNCC(=O)N 2230a_100000736835_100000747473 [0,1,0,0,0,1|2,0,0]=4 2829 B13R1.128 Cc1csc(n1)CNCCC(=O)N 207a_100000740010_100000756994 [0,1,0,0,0,1|2,0,0]=4 2830 B13R1.128 Cc1csc(n1)CNCCC(=O)N 2230a_100015183719_100000744528 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.128 Cc1csc(n1)SCCCC(=O)N 62a_100011291629_100102525003 [0,1,0,0,0,1|2,0,0]=4 2832 B13R1.128 Cc1csc(n1)SCCCC(=O)N 62a_100102525003_100011291629 [0,1,0,0,0,1|2,0,0]=4 2833 B13R1.128 Cc1nc(cs1)CCNCC(=O)O 269956a_100016091260_100000695623 [0,1,0,0,0,1|2,0,0]=4 2834 B13R1.128 Cc1ncc(s1)CNCCC(=O)N 207a_100000740010_100000740557 [0,1,0,0,0,1|2,0,0]=4 2835 B13R1.128 Cc1ncc(s1)CNCCC(=O)N 2230a_200000743601_100000744528 [0,1,0,0,0,1|2,0,0]=4 2836 B13R1.128 Cc1ncc(s1)CNOCC(=O)O 269956a_100000106656_100020635045 [0,1,0,0,0,1|2,0,0]=4 2837 B13R1.128 Cc1ncc(s1)COCCC(=O)N 34a_100000757172_100020635045 [0,1,0,0,0,1|2,0,0]=4 2838 B13R1.128 Cc1ncc(s1)COCCC(=O)N 7a_100000743366_100000744528 [0,1,0,0,0,1|2,0,0]=4 2839 B13R1.128 Cc1ncc(s1)COCCC(=O)N 7a_100000757172_100020635045 [0,1,0,0,0,1|2,0,0]=4 2840 B13R1.128 Cc1ncc(s1)CSCCC(=O)N 62a_100000744528_100020635045 [0,1,0,0,0,1|2,0,0]=4 2841 B13R1.128 Cc1ncc(s1)CSCCC(=O)N 62a_100020635045_100000744528 [0,1,0,0,0,1|2,0,0]=4 2842 B13R1.128 Cc1ncc(s1)SCCCC(=O)N 62a_100000764884_100102525003 [0,1,0,0,0,1|2,0,0]=4 2843 B13R1.128 Cc1ncc(s1)SCCCC(=O)N 62a_100102525003_100000764884 [0,1,0,0,0,1|2,0,0]=4 2844 B13R1.128 NC(=O)CCCSc1ccc(s1)Br 62a_100010197418_100102525003 [0,1,0,0,0,1|1,0,0]=3 2845 B13R1.128 NC(=O)CCCSc1ccc(s1)Br 62a_100102525003_100010197418 [0,1,0,0,0,1|1,0,0]=3 2846 B13R1.128 NC(=O)CCCSc1cnc(s1)Br 62a_100012357534_100102525003 [0,1,0,0,0,1|2,0,0]=4 2847 B13R1.128 NC(=O)CCCSc1cnc(s1)Br 62a_100102525003_100012357534 [0,1,0,0,0,1|2,0,0]=4 2848 B13R1.128 NC(=O)CCCSc1cnc(s1)N 62a_100000718969_100102525003 [0,1,0,0,0,1|2,0,0]=4 2849 B13R1.128 NC(=O)CCCSc1cnc(s1)N 62a_100102525003_100000718969 [0,1,0,0,0,1|2,0,0]=4 2850 B13R1.128 NC(=O)CCCSc1nc(cs1)Br 62a_100102525003_200016082925 [0,1,0,0,0,1|2,0,0]=4 2851 B13R1.128 NC(=O)CCCSc1nc(cs1)Br 62a_200016082925_100102525003 [0,1,0,0,0,1|2,0,0]=4 2852 B13R1.128 NC(=O)CCCSc1nc(cs1)N 62a_100102525003_200015188442 [0,1,0,0,0,1|2,0,0]=4 2853 B13R1.128 NC(=O)CCCSc1nc(cs1)N 62a_200015188442_100102525003 [0,1,0,0,0,1|2,0,0]=4 2854 B13R1.128 NC(=O)CCNCc1cc(cs1)Br 207a_100000740010_100000211722 [0,1,0,0,0,1|1,0,0]=3 2855 B13R1.128 NC(=O)CCNCc1cc(cs1)Br 2230a_100000741024_100000744528 [0,1,0,0,0,1|1,0,0]=3 2856 B13R1.128 NC(=O)CCNCc1cc(cs1)Br 34a_100000741024_100000731001 [0,1,0,0,0,1|1,0,0]=3 2857 B13R1.128 NC(=O)CCNCc1cc(cs1)Cl 207a_100000740010_100000102487 [0,1,0,0,0,1|1,0,0]=3 2858 B13R1.128 NC(=O)CCNCc1cc(cs1)I 207a_100000740010_100010179861 [0,1,0,0,0,1|1,0,0]=3 2859 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 207a_100000740010_100000185145 [0,1,0,0,0,1|1,1,0]=4 2860 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100000731001 [0,1,0,0,0,1|1,1,0]=4 2861 B13R1.128 NC(=O)CCNCc1ccc(o1)Cl 207a_100000740010_100000188459 [0,1,0,0,0,1|1,1,0]=4 2862 B13R1.128 NC(=O)CCNCc1ccc(o1)I 207a_100000740010_100000186757 [0,1,0,0,0,1|1,1,0]=4 2863 B13R1.128 NC(=O)CCNCc1ccc(s1)Br 207a_100000740010_100000179771 [0,1,0,0,0,1|1,0,0]=3 2864 B13R1.128 NC(=O)CCNCc1ccc(s1)Cl 207a_100000740010_100000242774 [0,1,0,0,0,1|1,0,0]=3 2865 B13R1.128 NC(=O)CCNCc1ccc(s1)Cl 2230a_100000737310_100000744528 [0,1,0,0,0,1|1,0,0]=3 2866 B13R1.128 NC(=O)CCNCc1cnc(s1)Br 2230a_100000726991_100000744528 [0,1,0,0,0,1|2,0,0]=4 2867 B13R1.128 NC(=O)CCNCc1cnc(s1)Cl 2230a_100000726635_100000744528 [0,1,0,0,0,1|2,0,0]=4 2868 B13R1.128 NC(=O)CCOCc1cc(cs1)Br 34a_100000238369_100000731001 [0,1,0,0,0,1|1,0,0]=3 2869 B13R1.128 NC(=O)CCOCc1cc(cs1)Br 34a_100000757172_100000746031 [0,1,0,0,0,1|1,0,0]=3 2870 B13R1.128 NC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000744528 [0,1,0,0,0,1|1,0,0]=3 2871 B13R1.128 NC(=O)CCOCc1cc(cs1)Br 7a_100000757172_100000746031 [0,1,0,0,0,1|1,0,0]=3 2872 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100000731001 [0,1,0,0,0,1|1,1,0]=4 2873 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000744528 [0,1,0,0,0,1|1,1,0]=4 2874 B13R1.128 NC(=O)CCOCc1ccc(s1)Br 34a_100000757172_100000708592 [0,1,0,0,0,1|1,0,0]=3 2875 B13R1.128 NC(=O)CCOCc1ccc(s1)Br 7a_100000757172_100000708592 [0,1,0,0,0,1|1,0,0]=3 2876 B13R1.128 NC(=O)CCOCc1ccc(s1)Cl 34a_100000757172_100000185097 [0,1,0,0,0,1|1,0,0]=3 2877 B13R1.128 NC(=O)CCOCc1ccc(s1)Cl 7a_100000757172_100000185097 [0,1,0,0,0,1|1,0,0]=3 2878 B13R1.128 NC(=O)CCOCc1cnc(s1)Br 34a_100000757172_100000717027 [0,1,0,0,0,1|2,0,0]=4 2879 B13R1.128 NC(=O)CCOCc1cnc(s1)Br 7a_100000757172_100000717027 [0,1,0,0,0,1|2,0,0]=4 2880 B13R1.128 NC(=O)CCOCc1cnc(s1)Br 7a_100009816753_100000744528 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.128 NC(=O)CCOCc1cnc(s1)Cl 34a_100000757172_100000058068 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.128 NC(=O)CCOCc1cnc(s1)Cl 7a_100000697714_100000744528 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.128 NC(=O)CCOCc1cnc(s1)Cl 7a_100000757172_100000058068 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.128 NC(=O)CCOCc1cnc(s1)N 7a_100011997359_100000744528 [0,1,0,0,0,1|2,0,0]=4 2885 B13R1.128 NC(=O)CCOCc1nc(cs1)Br 7a_100012000107_100000744528 [0,1,0,0,0,1|2,0,0]=4 2886 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000744528_100000746031 [0,1,0,0,0,1|1,0,0]=3 2887 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000744528 [0,1,0,0,0,1|1,0,0]=3 2888 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000744528 [0,1,0,0,0,1|1,0,0]=3 2889 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000744528_100000708592 [0,1,0,0,0,1|1,0,0]=3 2890 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000744528 [0,1,0,0,0,1|1,0,0]=3 2891 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000744528_100000185097 [0,1,0,0,0,1|1,0,0]=3 2892 B13R1.128 NC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000744528 [0,1,0,0,0,1|2,0,0]=4 2893 B13R1.128 NC(=O)CCSCc1cnc(s1)Br 62a_100000744528_100000717027 [0,1,0,0,0,1|2,0,0]=4 2894 B13R1.128 NC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000744528 [0,1,0,0,0,1|2,0,0]=4 2895 B13R1.128 NC(=O)CCSCc1cnc(s1)Cl 62a_100000744528_100000058068 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.128 NC(=O)CNCCc1ccc(s1)Br 2230a_100000217605_100000747473 [0,1,0,0,0,1|1,0,0]=3 2897 B13R1.128 NC(=O)COCCc1cnc(s1)N 7a_100000124125_100000187820 [0,1,0,0,0,1|2,0,0]=4 2898 B13R1.128 NC(=O)NCCSc1ccc(s1)Br 62a_100010197418_200000034859 [0,1,0,0,0,1|2,0,0]=4 2899 B13R1.128 NC(=O)NCCSc1ccc(s1)Br 62a_200000034859_100010197418 [0,1,0,0,0,1|2,0,0]=4 2900 B13R1.128 NC(=O)OCCSc1ccc(s1)Br 62a_100010197418_200011214921 [0,1,0,0,0,1|2,0,0]=4 2901 B13R1.128 NC(=O)OCCSc1ccc(s1)Br 62a_200011214921_100010197418 [0,1,0,0,0,1|2,0,0]=4 2902 B13R1.128 O=C(O)CNCCn1cc(cn1)Cl 269956a_100016091260_100011353933 [0,1,0,0,0,1|2,0,0]=4 2903 B13R1.128 O=C(O)CONCc1cc(cs1)Br 269956a_100000106656_100000746031 [0,1,0,0,0,1|1,0,0]=3 2904 B13R1.128 O=C(O)CONCc1ccc(s1)Br 269956a_100000106656_100000708592 [0,1,0,0,0,1|1,0,0]=3 2905 B13R1.128 O=C(O)CONCc1ccc(s1)Cl 269956a_100000106656_100000185097 [0,1,0,0,0,1|1,0,0]=3 2906 B13R1.128 O=C(O)CONCc1cnc(s1)Br 269956a_100000106656_100000717027 [0,1,0,0,0,1|2,0,0]=4 2907 B13R1.128 O=C(O)CONCc1cnc(s1)Cl 269956a_100000106656_100000058068 [0,1,0,0,0,1|2,0,0]=4 2908 B13R1.167 C=C(C)CCNCc1sccc1C 2230a_100000238519_100000730704 [0,1,0,0,0,1|2,0,0]=4 2909 B13R1.167 C=C(C)CCNCc1sccc1C 34a_100000238519_100000730704 [0,1,0,0,0,1|2,0,0]=4 2910 B13R1.167 C=C(C)CCNCc1sccc1Cl 2230a_100011934584_100000730704 [0,1,0,0,0,1|2,0,0]=4 2911 B13R1.167 C=C(C)CCNCc1sccc1Cl 34a_100011934584_100000730704 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.167 C=C(C)CCOCc1sccc1Br 34a_100000702026_100000730704 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.167 C=C(C)CCOCc1sccc1C 34a_100000238368_100000730704 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.167 C=C(C)CCOCc1sccc1C 7a_100000238368_100000730704 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.167 C=C(C)CCOCc1sccc1Cl 34a_100000722387_100000730704 [0,1,0,0,0,1|2,0,0]=4 2916 B13R1.167 C=C(C)CCOCc1sccc1Cl 7a_100000722387_100000730704 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100011215641_100012361411 [0,1,0,0,0,1|1,0,0]=3 2918 B13R1.167 CC(=O)CCCSc1sccc1Br 62a_100012361411_100011215641 [0,1,0,0,0,1|1,0,0]=3 2919 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100010247149_100011215641 [0,1,0,0,0,1|1,0,0]=3 2920 B13R1.167 CC(=O)CCCSc1sccc1C 62a_100011215641_100010247149 [0,1,0,0,0,1|1,0,0]=3 2921 B13R1.167 CC(=O)CCCSc1scnc1C 62a_100009817116_100011215641 [0,1,0,0,0,1|2,0,0]=4 2922 B13R1.167 CC(=O)CCCSc1scnc1C 62a_100011215641_100009817116 [0,1,0,0,0,1|2,0,0]=4 2923 B13R1.167 CC(=O)CCOCc1occc1C 7a_100011273948_100000053229 [0,1,0,0,0,1|1,1,0]=4 2924 B13R1.167 CC(=O)CCOCc1sccc1C 7a_100000238368_100000053229 [0,1,0,0,0,1|1,0,0]=3 2925 B13R1.167 CC(=O)CCOCc1sccc1Cl 7a_100000722387_100000053229 [0,1,0,0,0,1|1,0,0]=3 2926 B13R1.167 CC(=O)CCOCc1scnc1Br 7a_100012000948_100000053229 [0,1,0,0,0,1|2,0,0]=4 2927 B13R1.167 CC(=O)CCOCc1scnc1C 7a_100000750112_100000053229 [0,1,0,0,0,1|2,0,0]=4 2928 B13R1.167 CC(=O)COCCc1scnc1C 34a_100000211253_100000057103 [0,1,0,0,0,1|2,0,0]=4 2929 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100000189650_100012361411 [0,1,0,0,0,1|2,0,0]=4 2930 B13R1.167 CC(=O)NCCSc1sccc1Br 62a_100012361411_100000189650 [0,1,0,0,0,1|2,0,0]=4 2931 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100000189650_100010247149 [0,1,0,0,0,1|2,0,0]=4 2932 B13R1.167 CC(=O)NCCSc1sccc1C 62a_100010247149_100000189650 [0,1,0,0,0,1|2,0,0]=4 2933 B13R1.167 CC(=O)OCCSc1sccc1Br 62a_100009814007_100012361411 [0,1,0,0,0,1|2,0,0]=4 2934 B13R1.167 CC(=O)OCCSc1sccc1Br 62a_100012361411_100009814007 [0,1,0,0,0,1|2,0,0]=4 2935 B13R1.167 CC(=O)OCCSc1sccc1C 62a_100009814007_100010247149 [0,1,0,0,0,1|2,0,0]=4 2936 B13R1.167 CC(=O)OCCSc1sccc1C 62a_100010247149_100009814007 [0,1,0,0,0,1|2,0,0]=4 2937 B13R1.167 CC(=O)OCNCc1sccc1C 34a_100000238519_100009813279 [0,1,0,0,0,1|2,0,0]=4 2938 B13R1.167 CC(=O)OCNCc1sccc1Cl 34a_100011934584_100009813279 [0,1,0,0,0,1|2,0,0]=4 2939 B13R1.167 CC(=O)OCOCc1sccc1Br 34a_100000702026_100009813279 [0,1,0,0,0,1|2,0,0]=4 2940 B13R1.167 CC(=O)OCOCc1sccc1C 34a_100000238368_100009813279 [0,1,0,0,0,1|2,0,0]=4 2941 B13R1.167 CC(=O)OCOCc1sccc1Cl 34a_100000722387_100009813279 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.167 CC(O)CCCSc1sccc1Br 62a_100012361411_200000718107 [0,1,0,0,0,1|1,0,1]=4 2943 B13R1.167 CC(O)CCCSc1sccc1Br 62a_200000718107_100012361411 [0,1,0,0,0,1|1,0,1]=4 2944 B13R1.167 CC(O)CCNCc1sccc1Br 207a_200000755665_100000766043 [0,1,0,0,0,1|1,0,1]=4 2945 B13R1.167 CC(O)CCNCc1sccc1Br 270004a_200000755665_100000766043 [0,1,0,0,0,1|1,0,1]=4 2946 B13R1.167 CC(O)CCNCc1sccc1Cl 207a_200000755665_100000722334 [0,1,0,0,0,1|1,0,1]=4 2947 B13R1.167 CC(O)CCNCc1sccc1Cl 2230a_100011934584_100012276601 [0,1,0,0,0,1|1,0,1]=4 2948 B13R1.167 CC(O)CCNCc1sccc1Cl 270004a_200000755665_100000722334 [0,1,0,0,0,1|1,0,1]=4 2949 B13R1.167 CC(O)CCNCc1sccc1Cl 34a_100011934584_100012276601 [0,1,0,0,0,1|1,0,1]=4 2950 B13R1.167 CC(O)CCOCc1sccc1Br 34a_100000702026_100012276601 [0,1,0,0,0,1|1,0,1]=4 2951 B13R1.167 CC(O)CCOCc1sccc1Cl 34a_100000722387_100012276601 [0,1,0,0,0,1|1,0,1]=4 2952 B13R1.167 CC(O)CCOCc1sccc1Cl 7a_100000722387_100012276601 [0,1,0,0,0,1|1,0,1]=4 2953 B13R1.167 Cc1ccnn1CCNCC(=O)O 269956a_100016091260_100011934269 [0,1,0,0,0,1|2,0,0]=4 2954 B13R1.167 Cc1ccoc1CNCCC(=O)N 207a_100000740010_100000763527 [0,1,0,0,0,1|1,1,0]=4 2955 B13R1.167 Cc1ccoc1COCCC(=O)N 34a_100011273948_100000731001 [0,1,0,0,0,1|1,1,0]=4 2956 B13R1.167 Cc1ccoc1COCCC(=O)N 7a_100011273948_100000744528 [0,1,0,0,0,1|1,1,0]=4 2957 B13R1.167 Cc1ccsc1CNCCC(=O)N 207a_100000740010_100000210881 [0,1,0,0,0,1|1,0,0]=3 2958 B13R1.167 Cc1ccsc1CNCCC(=O)N 2230a_100000238519_100000744528 [0,1,0,0,0,1|1,0,0]=3 2959 B13R1.167 Cc1ccsc1CNCCC(=O)N 34a_100000238519_100000731001 [0,1,0,0,0,1|1,0,0]=3 2960 B13R1.167 Cc1ccsc1CNCCC(C)O 207a_200000755665_100000210881 [0,1,0,0,0,1|1,0,1]=4 2961 B13R1.167 Cc1ccsc1CNCCC(C)O 2230a_100000238519_100012276601 [0,1,0,0,0,1|1,0,1]=4 2962 B13R1.167 Cc1ccsc1CNCCC(C)O 270004a_200000755665_100000210881 [0,1,0,0,0,1|1,0,1]=4 2963 B13R1.167 Cc1ccsc1CNCCC(C)O 34a_100000238519_100012276601 [0,1,0,0,0,1|1,0,1]=4 2964 B13R1.167 Cc1ccsc1COCCC(=O)N 34a_100000238368_100000731001 [0,1,0,0,0,1|1,0,0]=3 2965 B13R1.167 Cc1ccsc1COCCC(=O)N 7a_100000238368_100000744528 [0,1,0,0,0,1|1,0,0]=3 2966 B13R1.167 Cc1ccsc1COCCC(C)O 34a_100000238368_100012276601 [0,1,0,0,0,1|1,0,1]=4 2967 B13R1.167 Cc1ccsc1COCCC(C)O 7a_100000238368_100012276601 [0,1,0,0,0,1|1,0,1]=4 2968 B13R1.167 Cc1ccsc1SCCCC(=O)N 62a_100010247149_100102525003 [0,1,0,0,0,1|1,0,0]=3 2969 B13R1.167 Cc1ccsc1SCCCC(=O)N 62a_100102525003_100010247149 [0,1,0,0,0,1|1,0,0]=3 2970 B13R1.167 Cc1ccsc1SCCCC(C)O 62a_100010247149_200000718107 [0,1,0,0,0,1|1,0,1]=4 2971 B13R1.167 Cc1ccsc1SCCCC(C)O 62a_200000718107_100010247149 [0,1,0,0,0,1|1,0,1]=4 2972 B13R1.167 Cc1ccsc1SCCNC(=O)N 62a_100010247149_200000034859 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.167 Cc1ccsc1SCCNC(=O)N 62a_200000034859_100010247149 [0,1,0,0,0,1|2,0,0]=4 2974 B13R1.167 Cc1ccsc1SCCOC(=O)N 62a_100010247149_200011214921 [0,1,0,0,0,1|2,0,0]=4 2975 B13R1.167 Cc1ccsc1SCCOC(=O)N 62a_200011214921_100010247149 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.167 Cc1ncsc1CCNCC(=O)N 2230a_100000238517_100000747473 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.167 Cc1ncsc1CCNCC(=O)N 2230a_100000711301_100000057103 [0,1,0,0,0,1|2,0,0]=4 2978 B13R1.167 Cc1ncsc1CCNCC(=O)N 34a_100000238517_100000187820 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.167 Cc1ncsc1CCNCC(=O)O 269956a_100016091260_100000057103 [0,1,0,0,0,1|1,0,0]=3 2980 B13R1.167 Cc1ncsc1CCNCC(=O)[O-] 34a_100000238517_100020667443 [0,1,0,0,0,1|1,0,1]=4 2981 B13R1.167 Cc1ncsc1CCOCC(=O)N 34a_100000211055_100000187820 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.167 Cc1ncsc1CCOCC(=O)N 7a_100000211055_100000187820 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.167 Cc1ncsc1CCOCC(=O)[O-] 34a_100000211055_100020667443 [0,1,0,0,0,1|1,0,1]=4 2984 B13R1.167 Cc1ncsc1CCSCC(=O)N 62a_100000057103_100000747473 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.167 Cc1ncsc1CCSCC(=O)N 62a_100000747473_100000057103 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.167 Cc1ncsc1CCSCC(=O)[O-] 62a_100000057103_100020667443 [0,1,0,0,0,1|1,0,1]=4 2987 B13R1.167 Cc1ncsc1CCSCC(=O)[O-] 62a_100020667443_100000057103 [0,1,0,0,0,1|1,0,1]=4 2988 B13R1.167 Cc1ncsc1CNCCC(=O)N 207a_100000740010_100000764165 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.167 Cc1ncsc1CNCCC(=O)N 2230a_100000752186_100000744528 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.167 Cc1ncsc1COCCC(=O)N 34a_100000750112_100000731001 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.167 Cc1ncsc1COCCC(=O)N 7a_100000750112_100000744528 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.167 Cc1ncsc1SCCCC(=O)N 62a_100009817116_100102525003 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.167 Cc1ncsc1SCCCC(=O)N 62a_100102525003_100009817116 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.167 Cn1cccc1CCNCC(=O)N 2230a_100011251756_100000747473 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.167 Cn1cccc1CCNCC(=O)N 34a_100011251756_100000187820 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.167 Cn1cccc1CCNCC(=O)[O-] 34a_100011251756_100020667443 [0,1,0,0,0,1|1,0,1]=4 2997 B13R1.167 Cn1cccc1CNCCC(=O)N 34a_100011219357_100000731001 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.167 NC(=O)CCCSc1sccc1Br 62a_100012361411_100102525003 [0,1,0,0,0,1|1,0,0]=3 2999 B13R1.167 NC(=O)CCCSc1sccc1Br 62a_100102525003_100012361411 [0,1,0,0,0,1|1,0,0]=3 3000 B13R1.167 NC(=O)CCNCc1sccc1Br 207a_100000740010_100000766043 [0,1,0,0,0,1|1,0,0]=3 3001 B13R1.167 NC(=O)CCNCc1sccc1Cl 207a_100000740010_100000722334 [0,1,0,0,0,1|1,0,0]=3 3002 B13R1.167 NC(=O)CCNCc1sccc1Cl 2230a_100011934584_100000744528 [0,1,0,0,0,1|1,0,0]=3 3003 B13R1.167 NC(=O)CCNCc1sccc1Cl 34a_100011934584_100000731001 [0,1,0,0,0,1|1,0,0]=3 3004 B13R1.167 NC(=O)CCOCc1sccc1Br 34a_100000702026_100000731001 [0,1,0,0,0,1|1,0,0]=3 3005 B13R1.167 NC(=O)CCOCc1sccc1Cl 34a_100000722387_100000731001 [0,1,0,0,0,1|1,0,0]=3 3006 B13R1.167 NC(=O)CCOCc1sccc1Cl 7a_100000722387_100000744528 [0,1,0,0,0,1|1,0,0]=3 3007 B13R1.167 NC(=O)CCOCc1scnc1Br 7a_100012000948_100000744528 [0,1,0,0,0,1|2,0,0]=4 3008 B13R1.167 NC(=O)NCCSc1sccc1Br 62a_100012361411_200000034859 [0,1,0,0,0,1|2,0,0]=4 3009 B13R1.167 NC(=O)NCCSc1sccc1Br 62a_200000034859_100012361411 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.167 NC(=O)OCCSc1sccc1Br 62a_100012361411_200011214921 [0,1,0,0,0,1|2,0,0]=4 3011 B13R1.167 NC(=O)OCCSc1sccc1Br 62a_200011214921_100012361411 [0,1,0,0,0,1|2,0,0]=4 3012 B13R1.342 C=C(C)CCNC(C)c1cccs1 2230a_100000703493_100000730704 [0,1,0,0,0,1|2,0,0]=4 3013 B13R1.342 C=C(C)CCO[C@H](C)c1cccs1 7a_100000750433_100000730704 [0,1,0,0,0,1|2,0,0]=4 3014 B13R1.342 C=C(C)COCC(N)c1cccs1 34a_100102422791_100000748629 [0,1,0,0,0,1|2,0,0]=4 3015 B13R1.342 C=C(F)COCC(N)c1cccs1 34a_100102422791_100009893438 [0,1,0,0,0,1|2,0,0]=4 3016 B13R1.342 CC(=C1C=CC=C1)CCCC(=O)[13CH3] 1458a_100009924236_200025704644 [0,1,0,0,0,1|2,0,0]=4 3017 B13R1.342 CC(=O)CCCC(=C1C=CC=C1)C 1458a_100009924236_200000210301 [0,1,0,0,0,1|2,0,0]=4 3018 B13R1.342 CC(=O)CCNC(=O)c1cccs1 1458a_100000195306_200000210301 [0,1,0,0,0,1|1,0,1]=4 3019 B13R1.342 CC(=O)CCOC(C)c1nccs1 7a_100000751044_100000053229 [0,1,0,0,0,1|2,0,0]=4 3020 B13R1.342 CC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000053229 [0,1,0,0,0,1|1,1,0]=4 3021 B13R1.342 CC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100000053229 [0,1,0,0,0,1|1,0,0]=3 3022 B13R1.342 CC(NCCC(=O)N)c1ccc[nH]1 269862a_100000740010_100000183661 [0,1,0,0,0,1|2,0,0]=4 3023 B13R1.342 CC(NCCC(=O)N)c1cccs1 2230a_100000703493_100000744528 [0,1,0,0,0,1|1,0,0]=3 3024 B13R1.342 CC(NCCC(=O)N)c1cccs1 269862a_100000740010_100000185736 [0,1,0,0,0,1|1,0,0]=3 3025 B13R1.342 CC(NCCC(=O)N)c1nccs1 2230a_100000725601_100000744528 [0,1,0,0,0,1|2,0,0]=4 3026 B13R1.342 CC(O)CCNC(C)c1cccs1 2230a_100000703493_100012276601 [0,1,0,0,0,1|1,0,1]=4 3027 B13R1.342 CC(O)CCNC(C)c1cccs1 269862a_200000755665_100000185736 [0,1,0,0,0,1|1,0,1]=4 3028 B13R1.342 CC(O)CCO[C@H](C)c1cccs1 7a_100000750433_100012276601 [0,1,0,0,0,1|1,0,1]=4 3029 B13R1.342 CC(O)COCC(N)c1cccs1 34a_100102422791_100011218427 [0,1,0,0,0,1|1,0,1]=4 3030 B13R1.342 CC(OCCC(=O)N)c1nccs1 7a_100000751044_100000744528 [0,1,0,0,0,1|2,0,0]=4 3031 B13R1.342 C[C@@H](NCCC(=O)N)c1ccco1 2230a_100160469435_100000744528 [0,1,0,0,0,1|1,1,0]=4 3032 B13R1.342 C[C@@H](O)COCC(N)c1cccs1 34a_100102422791_100009817552 [0,1,0,0,0,1|1,0,1]=4 3033 B13R1.342 C[C@@H](OCCC(=O)N)c1cccs1 7a_100000750433_100000744528 [0,1,0,0,0,1|1,0,0]=3 3034 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 34a_100000755270_100000731001 [0,1,0,0,0,1|1,1,0]=4 3035 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 7a_100000755270_100000744528 [0,1,0,0,0,1|1,1,0]=4 3036 B13R1.342 NC(=O)CNCC(=O)c1cccs1 2230a_100000711301_100000211436 [0,1,0,0,0,1|1,0,1]=4 3037 B13R1.342 NC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000747473 [0,1,0,0,0,1|1,1,0]=4 3038 B13R1.342 NC(=O)COCC(N)c1cccs1 34a_100102422791_100000187820 [0,1,0,0,0,1|1,0,0]=3 3039 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000211436_100000747473 [0,1,0,0,0,1|1,0,1]=4 3040 B13R1.342 NC(=O)CSCC(=O)c1cccs1 62a_100000747473_100000211436 [0,1,0,0,0,1|1,0,1]=4 3041 B13R1.342 NC(COCC(=O)[O-])c1cccs1 34a_100102422791_100020667443 [0,1,0,0,0,1|0,0,1]=3 3042 B13R1.342 NC(COC[N+](=O)[O-])c1cccs1 34a_100102422791_100000761209 [0,1,0,0,0,1|1,0,1]=4 3043 B13R1.342 O=C(O)CNCC(=O)c1ccc[nH]1 269956a_100016091260_200011262396 [0,1,0,0,0,1|1,0,1]=4 3044 B13R1.342 O=C(O)CNCC(=O)c1ccco1 269956a_100016091260_100000211439 [0,1,0,0,0,1|0,1,1]=4 3045 B13R1.342 O=C(O)CNCC(=O)c1cccs1 269956a_100016091260_100000211436 [0,1,0,0,0,1|0,0,1]=3 3046 B13R1.342 O=C(O)CNCC(=O)c1nccs1 269956a_100016091260_100000718653 [0,1,0,0,0,1|1,0,1]=4 3047 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100000211436_100020667443 [0,1,0,0,0,1|0,0,2]=4 3048 B13R1.342 O=C([O-])CSCC(=O)c1cccs1 62a_100020667443_100000211436 [0,1,0,0,0,1|0,0,2]=4 3049 B13R1.342 [13CH3]C(=O)CCNC(=O)c1cccs1 1458a_100000195306_200025704644 [0,1,0,0,0,1|1,0,1]=4 3050 B13R1.344 C=C(C)CCC(=O)Cc1cccs1 1458a_100000210189_100000730704 [0,1,0,0,0,1|2,0,0]=4 3051 B13R1.344 C=C(C)CCN(C)Cc1cccs1 2230a_100000184426_100000730704 [0,1,0,0,0,1|2,0,0]=4 3052 B13R1.344 C=C(C)CCN(C)Cc1cccs1 269982a_100000184426_100000730704 [0,1,0,0,0,1|2,0,0]=4 3053 B13R1.344 C=C(C)CNC(C)Cc1cccs1 2230a_100000751415_100000748629 [0,1,0,0,0,1|2,0,0]=4 3054 B13R1.344 C=C(F)CNC(C)Cc1cccs1 2230a_100000751415_100009893438 [0,1,0,0,0,1|2,0,0]=4 3055 B13R1.344 CC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000053229 [0,1,0,0,0,1|1,1,0]=4 3056 B13R1.344 CC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100000053229 [0,1,0,0,0,1|1,0,0]=3 3057 B13R1.344 CC(=O)CCN(C)Cc1nccs1 269982a_100000765864_100000053229 [0,1,0,0,0,1|2,0,0]=4 3058 B13R1.344 CC(=O)OCN(C)Cc1cccs1 269982a_100000184426_100000076356 [0,1,0,0,0,1|2,0,0]=4 3059 B13R1.344 CC(Cc1ccco1)OCC(=O)N 34a_100011803939_100000187820 [0,1,0,0,0,1|1,1,0]=4 3060 B13R1.344 CC(Cc1ccco1)OCC(=O)N 7a_100011803939_100000187820 [0,1,0,0,0,1|1,1,0]=4 3061 B13R1.344 CC(Cc1ccco1)OCC(=O)[O-] 34a_100011803939_100020667443 [0,1,0,0,0,1|0,1,1]=4 3062 B13R1.344 CC(Cc1cccs1)NCC(=O)N 2230a_100000751415_100000747473 [0,1,0,0,0,1|1,0,0]=3 3063 B13R1.344 CC(Cc1cccs1)NC[C@@H](C)O 2230a_100000751415_100009817552 [0,1,0,0,0,1|1,0,1]=4 3064 B13R1.344 CC(O)CCC(=O)Cc1cccs1 1458a_100000210189_100012276601 [0,1,0,0,0,1|1,0,1]=4 3065 B13R1.344 CC(O)CCN(C)Cc1cccs1 2230a_100000184426_100012276601 [0,1,0,0,0,1|1,0,1]=4 3066 B13R1.344 CC(O)CCN(C)Cc1cccs1 269982a_100000184426_100012276601 [0,1,0,0,0,1|1,0,1]=4 3067 B13R1.344 CC(O)CNC(C)Cc1cccs1 2230a_100000751415_100011218427 [0,1,0,0,0,1|1,0,1]=4 3068 B13R1.344 CN(CCC(=O)N)Cc1ccco1 2230a_100000185268_100000744528 [0,1,0,0,0,1|1,1,0]=4 3069 B13R1.344 CN(CCC(=O)N)Cc1ccco1 269982a_100000185268_100000744528 [0,1,0,0,0,1|1,1,0]=4 3070 B13R1.344 CN(CCC(=O)N)Cc1ccco1 270004a_100000730477_100000186105 [0,1,0,0,0,1|1,1,0]=4 3071 B13R1.344 CN(CCC(=O)N)Cc1cccs1 2230a_100000184426_100000744528 [0,1,0,0,0,1|1,0,0]=3 3072 B13R1.344 CN(CCC(=O)N)Cc1cccs1 269982a_100000184426_100000744528 [0,1,0,0,0,1|1,0,0]=3 3073 B13R1.344 CN(CCC(=O)N)Cc1cccs1 270004a_100000730477_100000209959 [0,1,0,0,0,1|1,0,0]=3 3074 B13R1.344 CN(CCC(=O)N)Cc1cncs1 2230a_100000730477_100015185245 [0,1,0,0,0,1|2,0,0]=4 3075 B13R1.344 CN(CCC(=O)N)Cc1cncs1 270004a_100000730477_100000749870 [0,1,0,0,0,1|2,0,0]=4 3076 B13R1.344 CN(CCC(=O)N)Cc1nccs1 2230a_100000730477_100015184050 [0,1,0,0,0,1|2,0,0]=4 3077 B13R1.344 CN(CCC(=O)N)Cc1nccs1 2230a_100000765864_100000744528 [0,1,0,0,0,1|2,0,0]=4 3078 B13R1.344 CN(CCC(=O)N)Cc1nccs1 269982a_100000765864_100000744528 [0,1,0,0,0,1|2,0,0]=4 3079 B13R1.344 CN(CCC(=O)N)Cc1nccs1 270004a_100000730477_100000750902 [0,1,0,0,0,1|2,0,0]=4 3080 B13R1.344 NC(=O)CCC(=O)Cc1cncs1 1458a_100011215257_100015185245 [0,1,0,0,0,1|2,0,0]=4 3081 B13R1.344 NC(=O)CCC(=O)Cc1nccs1 1458a_100011215257_100015184050 [0,1,0,0,0,1|2,0,0]=4 3082 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 11a_100000711301_100000210189 [0,1,0,0,0,1|1,0,1]=4 3083 B13R1.344 NC(=O)CNC(=O)Cc1cccs1 240690a_100000711301_100000210189 [0,1,0,0,0,1|1,0,1]=4 3084 B13R1.536 C=C(C#N)CNCCc1cccs1 2230a_100000203755_100000694840 [0,1,0,0,0,1|2,0,0]=4 3085 B13R1.536 C=C(C#N)CNCCc1cccs1 34a_100000203755_100000694840 [0,1,0,0,0,1|2,0,0]=4 3086 B13R1.536 C=C(C#N)COCCc1cccs1 34a_100011216825_100000694840 [0,1,0,0,0,1|2,0,0]=4 3087 B13R1.536 C=C(C#N)CSCCc1cccs1 62a_100000748579_100000694840 [0,1,0,0,0,1|2,0,0]=4 3088 B13R1.536 C=CC(=O)OCCSc1cccs1 62a_100009813456_100011215356 [0,1,0,0,0,1|2,0,0]=4 3089 B13R1.536 C=CC(=O)OCCSc1cccs1 62a_100011215356_100009813456 [0,1,0,0,0,1|2,0,0]=4 3090 B13R1.536 C=CC(O)CNCCc1cccs1 2230a_100000203755_100000730141 [0,1,0,0,0,1|1,0,1]=4 3091 B13R1.536 C=CC(O)CNCCc1cccs1 34a_100000203755_100000730141 [0,1,0,0,0,1|1,0,1]=4 3092 B13R1.536 C=CC(O)COCCc1cccs1 34a_100011216825_100000730141 [0,1,0,0,0,1|1,0,1]=4 3093 B13R1.536 C=CC(O)COCCc1cccs1 7a_100011216825_100000730141 [0,1,0,0,0,1|1,0,1]=4 3094 B13R1.536 C=CC(O)CSCCc1cccs1 62a_100000730141_100000748579 [0,1,0,0,0,1|1,0,1]=4 3095 B13R1.536 C=CC(O)CSCCc1cccs1 62a_100000748579_100000730141 [0,1,0,0,0,1|1,0,1]=4 3096 B13R1.536 CC(CO)CCNCc1cccs1 207a_106354213184_100000209959 [0,1,0,0,0,1|1,0,1]=4 3097 B13R1.536 CC(CO)CCNCc1cccs1 270004a_106354213184_100000209959 [0,1,0,0,0,1|1,0,1]=4 3098 B13R1.536 CC(CO)CNCCc1cccs1 34a_100000744482_100000748579 [0,1,0,0,0,1|1,0,1]=4 3099 B13R1.536 CC(CO)OCCCc1cccs1 34a_100011713143_100012180447 [0,1,0,0,0,1|1,0,1]=4 3100 B13R1.536 CC(CO)OCCCc1cccs1 7a_100011713143_100012180447 [0,1,0,0,0,1|1,0,1]=4 3101 B13R1.536 CC(CO)SCCCc1cccs1 62a_100012180447_100010992444 [0,1,0,0,0,1|1,0,1]=4 3102 B13R1.536 CCC(=O)CCCCc1cccs1 1458a_100011216592_100000210202 [0,1,0,0,0,1|1,0,0]=3 3103 B13R1.536 CCC(=O)COCCc1cccs1 34a_100000725409_100000748579 [0,1,0,0,0,1|1,0,0]=3 3104 B13R1.536 CCC(=O)COCCc1cccs1 7a_100011216825_100000747405 [0,1,0,0,0,1|1,0,0]=3 3105 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000747405_100000748579 [0,1,0,0,0,1|1,0,0]=3 3106 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000748579_100000747405 [0,1,0,0,0,1|1,0,0]=3 3107 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100000203755_100011218378 [0,1,0,0,0,1|1,0,1]=4 3108 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100011218483_100000748579 [0,1,0,0,0,1|1,0,1]=4 3109 B13R1.536 CCC(O)CNCCc1cccs1 34a_100000203755_100011218378 [0,1,0,0,0,1|1,0,1]=4 3110 B13R1.536 CCC(O)COCCc1cccs1 34a_100011216825_100011218378 [0,1,0,0,0,1|1,0,1]=4 3111 B13R1.536 CCC(O)COCCc1cccs1 7a_100011216825_100011218378 [0,1,0,0,0,1|1,0,1]=4 3112 B13R1.536 CCC(O)CSCCc1cccs1 62a_100000748579_100011218378 [0,1,0,0,0,1|1,0,1]=4 3113 B13R1.536 CCC(O)CSCCc1cccs1 62a_100011218378_100000748579 [0,1,0,0,0,1|1,0,1]=4 3114 B13R1.536 CNC(=O)CCCCc1cccs1 11a_106832991635_100011216592 [0,1,0,0,0,1|1,0,0]=3 3115 B13R1.536 CNC(=O)CCCCc1cccs1 1626a_100102657272_100011216592 [0,1,0,0,0,1|1,0,0]=3 3116 B13R1.536 CNC(=O)CCCCc1cccs1 240690a_100102657272_100011216592 [0,1,0,0,0,1|1,0,0]=3 3117 B13R1.536 CNC(=O)CCCCc1cccs1 527a_100102657272_100011216592 [0,1,0,0,0,1|1,0,0]=3 3118 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100000741757_100009814098 [0,1,0,0,0,1|1,1,0]=4 3119 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100009814098_100000741757 [0,1,0,0,0,1|1,1,0]=4 3120 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100000741757_100011215356 [0,1,0,0,0,1|1,0,0]=3 3121 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100011215356_100000741757 [0,1,0,0,0,1|1,0,0]=3 3122 B13R1.536 CNC(=O)CCCSc1cncs1 62a_100000741757_100011934649 [0,1,0,0,0,1|2,0,0]=4 3123 B13R1.536 CNC(=O)CCCSc1cncs1 62a_100011934649_100000741757 [0,1,0,0,0,1|2,0,0]=4 3124 B13R1.536 CNC(=O)CCCSc1nccs1 62a_100000211983_100000741757 [0,1,0,0,0,1|2,0,0]=4 3125 B13R1.536 CNC(=O)CCCSc1nccs1 62a_100000741757_100000211983 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.536 CNC(=O)CCNCc1ccco1 207a_100000738227_100000186105 [0,1,0,0,0,1|1,1,0]=4 3127 B13R1.536 CNC(=O)CCNCc1ccco1 2230a_100000185738_100000737683 [0,1,0,0,0,1|1,1,0]=4 3128 B13R1.536 CNC(=O)CCNCc1ccco1 270004a_100000738227_100000186105 [0,1,0,0,0,1|1,1,0]=4 3129 B13R1.536 CNC(=O)CCNCc1ccco1 34a_100000185738_100012179268 [0,1,0,0,0,1|1,1,0]=4 3130 B13R1.536 CNC(=O)CCNCc1cccs1 207a_100000738227_100000209959 [0,1,0,0,0,1|1,0,0]=3 3131 B13R1.536 CNC(=O)CCNCc1cccs1 2230a_100000211653_100000737683 [0,1,0,0,0,1|1,0,0]=3 3132 B13R1.536 CNC(=O)CCNCc1cccs1 270004a_100000738227_100000209959 [0,1,0,0,0,1|1,0,0]=3 3133 B13R1.536 CNC(=O)CCNCc1cncs1 207a_100000738227_100000749870 [0,1,0,0,0,1|2,0,0]=4 3134 B13R1.536 CNC(=O)CCNCc1cncs1 2230a_100000738227_100015185245 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.536 CNC(=O)CCNCc1cncs1 2230a_100016987365_100000737683 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.536 CNC(=O)CCNCc1cncs1 270004a_100000738227_100000749870 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.536 CNC(=O)CCNCc1cncs1 34a_100000738227_100015185245 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.536 CNC(=O)CCNCc1nccs1 207a_100000738227_100000750902 [0,1,0,0,0,1|2,0,0]=4 3139 B13R1.536 CNC(=O)CCNCc1nccs1 2230a_100000738227_100015184050 [0,1,0,0,0,1|2,0,0]=4 3140 B13R1.536 CNC(=O)CCNCc1nccs1 2230a_100000740555_100000737683 [0,1,0,0,0,1|2,0,0]=4 3141 B13R1.536 CNC(=O)CCNCc1nccs1 270004a_100000738227_100000750902 [0,1,0,0,0,1|2,0,0]=4 3142 B13R1.536 CNC(=O)CCNCc1nccs1 34a_100000738227_100015184050 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.536 CNC(=O)CCOCc1ccco1 34a_100000210059_100012179268 [0,1,0,0,0,1|1,1,0]=4 3144 B13R1.536 CNC(=O)CCOCc1cccs1 34a_100000211240_100012179268 [0,1,0,0,0,1|1,0,0]=3 3145 B13R1.536 CNC(=O)CCOCc1cncs1 34a_100000754576_100015185245 [0,1,0,0,0,1|2,0,0]=4 3146 B13R1.536 CNC(=O)CCOCc1nccs1 34a_100000754576_100015184050 [0,1,0,0,0,1|2,0,0]=4 3147 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100000737683_100015185245 [0,1,0,0,0,1|2,0,0]=4 3148 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100015185245_100000737683 [0,1,0,0,0,1|2,0,0]=4 3149 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100000737683_100015184050 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100015184050_100000737683 [0,1,0,0,0,1|2,0,0]=4 3151 B13R1.536 CNC(=O)CNCCc1ccco1 2230a_100000694680_100000183359 [0,1,0,0,0,1|1,1,0]=4 3152 B13R1.536 CNC(=O)CNCCc1ccco1 34a_100000694680_100000183359 [0,1,0,0,0,1|1,1,0]=4 3153 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000203755_100000183359 [0,1,0,0,0,1|1,0,0]=3 3154 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000693194_100000748579 [0,1,0,0,0,1|1,0,0]=3 3155 B13R1.536 CNC(=O)CNCCc1cccs1 34a_100000203755_100000183359 [0,1,0,0,0,1|1,0,0]=3 3156 B13R1.536 CNC(=O)CNCCc1cncs1 2230a_100016991637_100000183359 [0,1,0,0,0,1|2,0,0]=4 3157 B13R1.536 CNC(=O)CNCCc1nccs1 2230a_100015186391_100000183359 [0,1,0,0,0,1|2,0,0]=4 3158 B13R1.536 CNC(=O)COCCc1cccs1 34a_100000750040_100000748579 [0,1,0,0,0,1|1,0,0]=3 3159 B13R1.536 CNC(=O)COCCc1cccs1 34a_100011216825_100000183359 [0,1,0,0,0,1|1,0,0]=3 3160 B13R1.536 CNC(=O)COCCc1cccs1 7a_100011216825_100000183359 [0,1,0,0,0,1|1,0,0]=3 3161 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000183359_100000748579 [0,1,0,0,0,1|1,0,0]=3 3162 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000748579_100000183359 [0,1,0,0,0,1|1,0,0]=3 3163 B13R1.536 CNC(=O)OCCSc1cccs1 62a_100011215356_200011997002 [0,1,0,0,0,1|2,0,0]=4 3164 B13R1.536 CNC(=O)OCCSc1cccs1 62a_200011997002_100011215356 [0,1,0,0,0,1|2,0,0]=4 3165 B13R1.536 COC(=O)/C=C/CSc1cccs1 62a_100000742655_100011215356 [0,1,0,0,0,1|0,0,2]=4 3166 B13R1.536 COC(=O)/C=C/CSc1cccs1 62a_100011215356_100000742655 [0,1,0,0,0,1|0,0,2]=4 3167 B13R1.536 COC(=O)CCCOc1ccsc1 34a_100000106738_100000742333 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.536 COC(=O)CCCOc1ccsc1 7a_100000106738_100011218270 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011218270 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100011218270_100000756875 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.536 COC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011218270 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.536 COC(=O)CCCSc1cc[nH]n1 62a_100011218270_100000062575 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.536 COC(=O)CCCSc1ccco1 62a_100009814098_100011218270 [0,1,0,0,0,1|0,1,0]=3 3174 B13R1.536 COC(=O)CCCSc1ccco1 62a_100011218270_100009814098 [0,1,0,0,0,1|0,1,0]=3 3175 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011215356_100011218270 [0,1,0,0,0,1|0,0,0]=2 3176 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011218270_100011215356 [0,1,0,0,0,1|0,0,0]=2 3177 B13R1.536 COC(=O)CCCSc1ccoc1 62a_100011215275_100011218270 [0,1,0,0,0,1|2,0,0]=4 3178 B13R1.536 COC(=O)CCCSc1ccoc1 62a_100011218270_100011215275 [0,1,0,0,0,1|2,0,0]=4 3179 B13R1.536 COC(=O)CCCSc1ccon1 62a_100009818083_100011218270 [0,1,0,0,0,1|2,0,0]=4 3180 B13R1.536 COC(=O)CCCSc1ccon1 62a_100011218270_100009818083 [0,1,0,0,0,1|2,0,0]=4 3181 B13R1.536 COC(=O)CCCSc1ccsc1 62a_100000738268_100011218270 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.536 COC(=O)CCCSc1ccsc1 62a_100011218270_100000738268 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.536 COC(=O)CCCSc1ccsn1 62a_100009818082_100011218270 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.536 COC(=O)CCCSc1ccsn1 62a_100011218270_100009818082 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.536 COC(=O)CCCSc1cnco1 62a_100011218270_100020591547 [0,1,0,0,0,1|1,1,0]=4 3186 B13R1.536 COC(=O)CCCSc1cnco1 62a_100020591547_100011218270 [0,1,0,0,0,1|1,1,0]=4 3187 B13R1.536 COC(=O)CCCSc1cncs1 62a_100011218270_100011934649 [0,1,0,0,0,1|1,0,0]=3 3188 B13R1.536 COC(=O)CCCSc1cncs1 62a_100011934649_100011218270 [0,1,0,0,0,1|1,0,0]=3 3189 B13R1.536 COC(=O)CCCSc1cscn1 62a_100000751502_100011218270 [0,1,0,0,0,1|2,0,0]=4 3190 B13R1.536 COC(=O)CCCSc1cscn1 62a_100011218270_100000751502 [0,1,0,0,0,1|2,0,0]=4 3191 B13R1.536 COC(=O)CCCSc1ncc[nH]1 62a_100011218270_100025796157 [0,1,0,0,0,1|2,0,0]=4 3192 B13R1.536 COC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011218270 [0,1,0,0,0,1|2,0,0]=4 3193 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011218270_100011787736 [0,1,0,0,0,1|1,1,0]=4 3194 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011787736_100011218270 [0,1,0,0,0,1|1,1,0]=4 3195 B13R1.536 COC(=O)CCCSc1nccs1 62a_100000211983_100011218270 [0,1,0,0,0,1|1,0,0]=3 3196 B13R1.536 COC(=O)CCCSc1nccs1 62a_100011218270_100000211983 [0,1,0,0,0,1|1,0,0]=3 3197 B13R1.536 COC(=O)CCCSc1ncns1 62a_100000693119_100011218270 [0,1,0,0,0,1|2,0,0]=4 3198 B13R1.536 COC(=O)CCCSc1ncns1 62a_100011218270_100000693119 [0,1,0,0,0,1|2,0,0]=4 3199 B13R1.536 COC(=O)CCCSc1nncs1 62a_100000739804_100011218270 [0,1,0,0,0,1|2,0,0]=4 3200 B13R1.536 COC(=O)CCCSc1nncs1 62a_100011218270_100000739804 [0,1,0,0,0,1|2,0,0]=4 3201 B13R1.536 COC(=O)CCNCc1ccco1 2230a_100000185738_100000204255 [0,1,0,0,0,1|0,1,0]=3 3202 B13R1.536 COC(=O)CCNCc1ccco1 34a_100000185738_100000742370 [0,1,0,0,0,1|0,1,0]=3 3203 B13R1.536 COC(=O)CCNCc1cccs1 2230a_100000211653_100000204255 [0,1,0,0,0,1|0,0,0]=2 3204 B13R1.536 COC(=O)CCNCc1ccoc1 2230a_100015206860_100000204255 [0,1,0,0,0,1|2,0,0]=4 3205 B13R1.536 COC(=O)CCNCc1ccoc1 34a_100015206860_100000742370 [0,1,0,0,0,1|2,0,0]=4 3206 B13R1.536 COC(=O)CCNCc1ccsc1 2230a_100000186416_100000204255 [0,1,0,0,0,1|2,0,0]=4 3207 B13R1.536 COC(=O)CCNCc1ccsc1 34a_100000186416_100000742370 [0,1,0,0,0,1|2,0,0]=4 3208 B13R1.536 COC(=O)CCNCc1cncs1 2230a_100016987365_100000204255 [0,1,0,0,0,1|1,0,0]=3 3209 B13R1.536 COC(=O)CCNCc1cscn1 2230a_100015185402_100000204255 [0,1,0,0,0,1|2,0,0]=4 3210 B13R1.536 COC(=O)CCNCc1ncco1 2230a_100016994969_100000204255 [0,1,0,0,0,1|1,1,0]=4 3211 B13R1.536 COC(=O)CCNCc1nccs1 2230a_100000740555_100000204255 [0,1,0,0,0,1|1,0,0]=3 3212 B13R1.536 COC(=O)CCOCc1ccco1 34a_100000210059_100000742370 [0,1,0,0,0,1|0,1,0]=3 3213 B13R1.536 COC(=O)CCOCc1cccs1 34a_100000211240_100000742370 [0,1,0,0,0,1|0,0,0]=2 3214 B13R1.536 COC(=O)CCOCc1ccno1 34a_100000740478_100000742370 [0,1,0,0,0,1|1,1,0]=4 3215 B13R1.536 COC(=O)CCOCc1ccoc1 34a_100011215357_100000742370 [0,1,0,0,0,1|2,0,0]=4 3216 B13R1.536 COC(=O)CCOCc1ccsc1 34a_100011215551_100000742370 [0,1,0,0,0,1|2,0,0]=4 3217 B13R1.536 COC(=O)CCOCc1ncco1 34a_100000062594_100000742370 [0,1,0,0,0,1|1,1,0]=4 3218 B13R1.536 COC(=O)CCOCn1cccn1 34a_100000731028_100000742370 [0,1,0,0,0,1|2,0,0]=4 3219 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000204255_100000707719 [0,1,0,0,0,1|2,0,0]=4 3220 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000204255 [0,1,0,0,0,1|2,0,0]=4 3221 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000204255_100000728653 [0,1,0,0,0,1|2,0,0]=4 3222 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000204255 [0,1,0,0,0,1|2,0,0]=4 3223 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000204255_100000234950 [0,1,0,0,0,1|2,0,0]=4 3224 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000234950_100000204255 [0,1,0,0,0,1|2,0,0]=4 3225 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100000204255_100011233845 [0,1,0,0,0,1|2,0,0]=4 3226 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100011261437_100000204255 [0,1,0,0,0,1|2,0,0]=4 3227 B13R1.536 COC(=O)CCSCc1cncs1 62a_100000204255_100015185245 [0,1,0,0,0,1|1,0,0]=3 3228 B13R1.536 COC(=O)CCSCc1cncs1 62a_100015185245_100000204255 [0,1,0,0,0,1|1,0,0]=3 3229 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000204255_100000205941 [0,1,0,0,0,1|2,0,0]=4 3230 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000205941_100000204255 [0,1,0,0,0,1|2,0,0]=4 3231 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100000204255_100016991755 [0,1,0,0,0,1|2,0,0]=4 3232 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000204255 [0,1,0,0,0,1|2,0,0]=4 3233 B13R1.536 COC(=O)CCSCc1ncco1 62a_100000204255_103436540062 [0,1,0,0,0,1|1,1,0]=4 3234 B13R1.536 COC(=O)CCSCc1ncco1 62a_103436540062_100000204255 [0,1,0,0,0,1|1,1,0]=4 3235 B13R1.536 COC(=O)CCSCc1nccs1 62a_100000204255_100015184050 [0,1,0,0,0,1|1,0,0]=3 3236 B13R1.536 COC(=O)CCSCc1nccs1 62a_100015184050_100000204255 [0,1,0,0,0,1|1,0,0]=3 3237 B13R1.536 COC(=O)CNCCc1ccco1 2230a_100000694680_100000747449 [0,1,0,0,0,1|0,1,0]=3 3238 B13R1.536 COC(=O)CNCCc1ccco1 34a_100000694680_100000747449 [0,1,0,0,0,1|0,1,0]=3 3239 B13R1.536 COC(=O)CNCCc1cccs1 2230a_100000203755_100000747449 [0,1,0,0,0,1|0,0,0]=2 3240 B13R1.536 COC(=O)CNCCc1cccs1 34a_100000203755_100000747449 [0,1,0,0,0,1|0,0,0]=2 3241 B13R1.536 COC(=O)CNCCc1ccsc1 2230a_100000692642_100000747449 [0,1,0,0,0,1|2,0,0]=4 3242 B13R1.536 COC(=O)CNCCc1ccsc1 34a_100000692642_100000747449 [0,1,0,0,0,1|2,0,0]=4 3243 B13R1.536 COC(=O)CNCCc1cncs1 2230a_100016991637_100000747449 [0,1,0,0,0,1|1,0,0]=3 3244 B13R1.536 COC(=O)CNCCc1nccs1 2230a_100015186391_100000747449 [0,1,0,0,0,1|1,0,0]=3 3245 B13R1.536 COC(=O)CNCCn1cccc1 34a_100011368172_100000747449 [0,1,0,0,0,1|2,0,0]=4 3246 B13R1.536 COC(=O)CNCCn1cccn1 2230a_100011200920_100000747449 [0,1,0,0,0,1|2,0,0]=4 3247 B13R1.536 COC(=O)COCCc1cccs1 34a_100011216825_100000747449 [0,1,0,0,0,1|0,0,0]=2 3248 B13R1.536 COC(=O)COCCc1cccs1 7a_100011216825_100000747449 [0,1,0,0,0,1|0,0,0]=2 3249 B13R1.536 COC(=O)COCCc1ccsc1 34a_100000748821_100000747449 [0,1,0,0,0,1|2,0,0]=4 3250 B13R1.536 COC(=O)COCCc1ncc[nH]1 34a_103549771195_100000747449 [0,1,0,0,0,1|2,0,0]=4 3251 B13R1.536 COC(=O)COCCn1cccc1 34a_100000179382_100000747449 [0,1,0,0,0,1|2,0,0]=4 3252 B13R1.536 COC(=O)COCCn1cccn1 34a_100000743371_100000747449 [0,1,0,0,0,1|2,0,0]=4 3253 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100000747449_100020628418 [0,1,0,0,0,1|2,0,0]=4 3254 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747449 [0,1,0,0,0,1|2,0,0]=4 3255 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000747449_100000748579 [0,1,0,0,0,1|0,0,0]=2 3256 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000748579_100000747449 [0,1,0,0,0,1|0,0,0]=2 3257 B13R1.536 COC(=O)CSCCn1cccc1 62a_100000747449_200000035178 [0,1,0,0,0,1|2,0,0]=4 3258 B13R1.536 COC(=O)CSCCn1cccc1 62a_200009811947_100000747449 [0,1,0,0,0,1|2,0,0]=4 3259 B13R1.536 COC(=O)CSCCn1cccn1 62a_100000747449_100000685285 [0,1,0,0,0,1|2,0,0]=4 3260 B13R1.536 COC(=O)CSCCn1cccn1 62a_100015204718_100000747449 [0,1,0,0,0,1|2,0,0]=4 3261 B13R1.536 COC(=O)OCSCc1cncs1 62a_100015185245_100000139417 [0,1,0,0,0,1|2,0,0]=4 3262 B13R1.536 COC(=O)OCSCc1nccs1 62a_100015184050_100000139417 [0,1,0,0,0,1|2,0,0]=4 3263 B13R1.536 COC(C)COCCc1cccs1 34a_100000690652_100000748579 [0,1,0,0,0,1|1,0,1]=4 3264 B13R1.536 COC(C)SCCCc1cccs1 62a_100009879195_100010992444 [0,1,0,0,0,1|1,0,1]=4 3265 B13R1.536 COC(C)SCCCc1cccs1 62a_100010992444_100009879195 [0,1,0,0,0,1|1,0,1]=4 3266 B13R1.536 CO[C@H](C)CNCCc1cccs1 2230a_100020591295_100000748579 [0,1,0,0,0,1|1,0,1]=4 3267 B13R1.536 C[C@@H](CO)CNCCc1cccs1 2230a_100000203755_100000059175 [0,1,0,0,0,1|1,0,1]=4 3268 B13R1.536 C[C@@H](CO)CNCCc1cccs1 34a_100000203755_100000059175 [0,1,0,0,0,1|1,0,1]=4 3269 B13R1.536 C[C@@H](CO)COCCc1cccs1 34a_100011216825_100000059175 [0,1,0,0,0,1|1,0,1]=4 3270 B13R1.536 C[C@@H](CO)COCCc1cccs1 7a_100011216825_100000059175 [0,1,0,0,0,1|1,0,1]=4 3271 B13R1.536 C[C@@H](CO)CSCCc1cccs1 62a_100000059175_100000748579 [0,1,0,0,0,1|1,0,1]=4 3272 B13R1.536 C[C@@H](CO)CSCCc1cccs1 62a_100000748579_100000059175 [0,1,0,0,0,1|1,0,1]=4 3273 B13R1.536 C[C@H](CO)NCCCc1cccs1 2230a_100000737577_100010992444 [0,1,0,0,0,1|1,0,1]=4 3274 B13R1.536 C[C@H](CO)SCCCc1cccs1 62a_100010992444_100016084084 [0,1,0,0,0,1|1,0,1]=4 3275 B13R1.536 C[C@H](CO)SCCCc1cccs1 62a_100016084084_100010992444 [0,1,0,0,0,1|1,0,1]=4 3276 B13R1.536 NC(=NO)CCOCc1cncs1 34a_100000749954_100015185245 [0,1,0,0,0,1|2,0,0]=4 3277 B13R1.536 NC(=NO)CCOCc1nccs1 34a_100000749954_100015184050 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.536 O=C(CF)CCCCc1cccs1 1458a_100011216592_100015361967 [0,1,0,0,0,1|1,0,0]=3 3279 B13R1.536 O=C(CO)NCCCn1cccn1 240690a_100000737576_100000210174 [0,1,0,0,0,1|2,0,0]=4 3280 B13R1.536 O=C(CO)NCCCn1cccn1 527a_100000737576_100000210174 [0,1,0,0,0,1|2,0,0]=4 3281 B13R1.536 OCC(O)CNCCc1cccs1 2230a_100000203755_100011219619 [0,1,0,0,0,1|0,0,2]=4 3282 B13R1.536 OCC(O)CNCCc1cccs1 34a_100000203755_100011219619 [0,1,0,0,0,1|0,0,2]=4 3283 B13R1.536 OCC(O)COCCc1cccs1 34a_100011216825_100011219619 [0,1,0,0,0,1|0,0,2]=4 3284 B13R1.536 OCC(O)COCCc1cccs1 7a_100011216825_100011219619 [0,1,0,0,0,1|0,0,2]=4 3285 B13R1.536 OCC(O)CSCCc1cccs1 62a_100000748579_100011219619 [0,1,0,0,0,1|0,0,2]=4 3286 B13R1.536 OCC(O)CSCCc1cccs1 62a_100011219619_100000748579 [0,1,0,0,0,1|0,0,2]=4 3287 B13R1.536 OC[C@@H](O)CNCCc1cccs1 2230a_100020644852_100000748579 [0,1,0,0,0,1|0,0,2]=4 3288 B13R1.536 OC[C@H](F)CNCCc1cccs1 34a_100015665980_100000748579 [0,1,0,0,0,1|1,0,1]=4 3289 B13R1.536 OC[C@H](O)CNCCc1cccs1 2230a_100000203755_100009815848 [0,1,0,0,0,1|0,0,2]=4 3290 B13R1.536 OC[C@H](O)CNCCc1cccs1 34a_100000203755_100009815848 [0,1,0,0,0,1|0,0,2]=4 3291 B13R1.536 OC[C@H](O)COCCc1cccs1 34a_100011216825_100009815848 [0,1,0,0,0,1|0,0,2]=4 3292 B13R1.536 OC[C@H](O)COCCc1cccs1 7a_100011216825_100009815848 [0,1,0,0,0,1|0,0,2]=4 3293 B13R1.536 OC[C@H](O)CSCCc1cccs1 62a_100000748579_100009815848 [0,1,0,0,0,1|0,0,2]=4 3294 B13R1.536 OC[C@H](O)CSCCc1cccs1 62a_100009815848_100000748579 [0,1,0,0,0,1|0,0,2]=4 3295 B13R1.536 O[C@@H](CF)CNCCc1cccs1 2230a_100000203755_100015614560 [0,1,0,0,0,1|1,0,1]=4 3296 B13R1.536 O[C@@H](CF)CNCCc1cccs1 34a_100000203755_100015614560 [0,1,0,0,0,1|1,0,1]=4 3297 B13R1.536 O[C@@H](CF)COCCc1cccs1 34a_100011216825_100015614560 [0,1,0,0,0,1|1,0,1]=4 3298 B13R1.536 O[C@@H](CF)COCCc1cccs1 7a_100011216825_100015614560 [0,1,0,0,0,1|1,0,1]=4 3299 B13R1.536 O[C@@H](CF)CSCCc1cccs1 62a_100000748579_100015614560 [0,1,0,0,0,1|1,0,1]=4 3300 B13R1.536 O[C@@H](CF)CSCCc1cccs1 62a_100015614560_100000748579 [0,1,0,0,0,1|1,0,1]=4 3301 B13R1.593 C=C(C)CC(=O)CCc1cccs1 1458a_100000185280_100000748629 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.593 C=C(C)CN(C)CCc1cccs1 2230a_100000225649_100000748579 [0,1,0,0,0,1|2,0,0]=4 3303 B13R1.593 C=C(C)CN(C)CCc1cccs1 269982a_100000225649_100000748579 [0,1,0,0,0,1|2,0,0]=4 3304 B13R1.593 C=C(F)CC(=O)CCc1cccs1 1458a_100000185280_100009893438 [0,1,0,0,0,1|2,0,0]=4 3305 B13R1.593 CC(=O)CC(=O)NCc1cccs1 1458a_100000070787_100000182718 [0,1,0,0,0,1|1,0,1]=4 3306 B13R1.593 CC(=O)NC(C)CCc1ccco1 11a_100000199034_100015343762 [0,1,0,0,0,1|1,1,0]=4 3307 B13R1.593 CC(=O)NC(C)CCc1ccco1 1626a_100000199034_100015343762 [0,1,0,0,0,1|1,1,0]=4 3308 B13R1.593 CC(=O)NC(C)CCc1ccco1 527a_100000199034_100103153847 [0,1,0,0,0,1|1,1,0]=4 3309 B13R1.593 CC(O)CC(=O)CCc1cccs1 1458a_100000185280_100011218427 [0,1,0,0,0,1|1,0,1]=4 3310 B13R1.593 CC(O)CN(C)CCc1cccs1 2230a_100000227577_100000748579 [0,1,0,0,0,1|1,0,1]=4 3311 B13R1.593 CC(O)CN(C)CCc1cccs1 269982a_100000227577_100000748579 [0,1,0,0,0,1|1,0,1]=4 3312 B13R1.593 CN(CCc1c[nH]cn1)CC(=O)O 269956a_100000746989_100020628418 [0,1,0,0,0,1|2,0,0]=4 3313 B13R1.593 CN(CCc1cccs1)CC(=O)N 2230a_100000739694_100000748579 [0,1,0,0,0,1|1,0,0]=3 3314 B13R1.593 CN(CCc1cccs1)CC(=O)O 269956a_100000746989_100000748579 [0,1,0,0,0,1|0,0,0]=2 3315 B13R1.593 CN(CCn1cccc1)CC(=O)O 269956a_100000746989_200000035178 [0,1,0,0,0,1|2,0,0]=4 3316 B13R1.593 CN(CCn1cccn1)CC(=O)O 269956a_100000746989_100000685285 [0,1,0,0,0,1|2,0,0]=4 3317 B13R1.593 C[C@@H](O)CC(=O)CCc1cccs1 1458a_100011933948_100000748579 [0,1,0,0,0,1|1,0,1]=4 3318 B13R1.593 NC(=O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000187820 [0,1,0,0,0,1|2,0,0]=4 3319 B13R1.593 NC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000187820 [0,1,0,0,0,1|1,1,0]=4 3320 B13R1.593 NC(=O)CC(=O)CCc1cccs1 1458a_100000185280_100000187820 [0,1,0,0,0,1|1,0,0]=3 3321 B13R1.593 NC(=O)CC(=O)CCc1cccs1 1458a_100134613110_100000748579 [0,1,0,0,0,1|1,0,0]=3 3322 B13R1.593 NC(=O)CC(=O)CCc1cncs1 1458a_100012184922_100000187820 [0,1,0,0,0,1|2,0,0]=4 3323 B13R1.593 NC(=O)CC(=O)CCc1nccs1 1458a_100000742873_100000187820 [0,1,0,0,0,1|2,0,0]=4 3324 B13R1.593 NC(=O)CC(=O)NCc1cccs1 240690a_100000211653_100134613110 [0,1,0,0,0,1|1,0,1]=4 3325 B13R1.593 NC(=O)CC(=O)NCc1cccs1 527a_100000211653_100134613110 [0,1,0,0,0,1|1,0,1]=4 3326 B13R1.593 O=C(CCc1cccs1)C[N+](=O)[O-] 1458a_100000185280_100000761209 [0,1,0,0,0,1|1,0,1]=4 3327 B13R1.593 O=C([O-])CC(=O)CCc1ccc[nH]1 1458a_200011998680_100020667443 [0,1,0,0,0,1|1,0,1]=4 3328 B13R1.593 O=C([O-])CC(=O)CCc1ccco1 1458a_100000185103_100020667443 [0,1,0,0,0,1|0,1,1]=4 3329 B13R1.593 O=C([O-])CC(=O)CCc1cccs1 1458a_100000185280_100020667443 [0,1,0,0,0,1|0,0,1]=3 3330 B13R1.593 O=C([O-])CC(=O)CCc1cncs1 1458a_100012184922_100020667443 [0,1,0,0,0,1|1,0,1]=4 3331 B13R1.593 O=C([O-])CC(=O)CCc1nccs1 1458a_100000742873_100020667443 [0,1,0,0,0,1|1,0,1]=4 3332 B13R1.1110 C=C(C)C(=O)CCCc1cccs1 1458a_100000185857_100010992444 [0,1,0,0,0,1|2,0,0]=4 3333 B13R1.1110 C=C(C)C(C)NCCc1cccs1 269862a_100000203755_100011216138 [0,1,0,0,0,1|2,0,0]=4 3334 B13R1.1110 CC(=O)C(=O)COCc1cccs1 34a_100000211240_100011261029 [0,1,0,0,0,1|1,0,1]=4 3335 B13R1.1110 CC(=O)C(C)COCc1cncs1 34a_100000032740_100015185245 [0,1,0,0,0,1|2,0,0]=4 3336 B13R1.1110 CC(=O)C(C)COCc1cncs1 7a_100000032740_100015185245 [0,1,0,0,0,1|2,0,0]=4 3337 B13R1.1110 CC(=O)C(C)COCc1nccs1 34a_100000032740_100015184050 [0,1,0,0,0,1|2,0,0]=4 3338 B13R1.1110 CC(=O)C(C)COCc1nccs1 7a_100000032740_100015184050 [0,1,0,0,0,1|2,0,0]=4 3339 B13R1.1110 CC(=O)C(C)NCCc1ccco1 2230a_100000694680_100009814033 [0,1,0,0,0,1|1,1,0]=4 3340 B13R1.1110 CC(=O)C(C)NCCc1cccs1 2230a_100000203755_100009814033 [0,1,0,0,0,1|1,0,0]=3 3341 B13R1.1110 CC(=O)C(C)NCCc1cncs1 2230a_100016991637_100009814033 [0,1,0,0,0,1|2,0,0]=4 3342 B13R1.1110 CC(=O)C(C)NCCc1nccs1 2230a_100015186391_100009814033 [0,1,0,0,0,1|2,0,0]=4 3343 B13R1.1110 CC(=O)C(C)OCCc1cccs1 34a_100000212229_100000748579 [0,1,0,0,0,1|1,0,0]=3 3344 B13R1.1110 CC(=O)C(C)OCCc1cccs1 7a_100011216825_100000179758 [0,1,0,0,0,1|1,0,0]=3 3345 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100000748579_100009814033 [0,1,0,0,0,1|1,0,0]=3 3346 B13R1.1110 CC(=O)C(C)SCCc1cccs1 62a_100009814033_100000748579 [0,1,0,0,0,1|1,0,0]=3 3347 B13R1.1110 CC(CNCc1c[nH]cn1)C(=O)O 269956a_100000749485_100000707719 [0,1,0,0,0,1|2,0,0]=4 3348 B13R1.1110 CC(CNCc1ccn[nH]1)C(=O)O 269956a_100000749485_100000728653 [0,1,0,0,0,1|2,0,0]=4 3349 B13R1.1110 CC(CNCc1ccon1)C(=O)O 269956a_100000749485_100000234950 [0,1,0,0,0,1|2,0,0]=4 3350 B13R1.1110 CC(CNCc1ccsc1)C(=O)O 269956a_100000749485_100011261437 [0,1,0,0,0,1|2,0,0]=4 3351 B13R1.1110 CC(CNCc1cncs1)C(=O)O 269956a_100000749485_100015185245 [0,1,0,0,0,1|1,0,0]=3 3352 B13R1.1110 CC(CNCc1cscn1)C(=O)O 269956a_100000749485_100000205941 [0,1,0,0,0,1|2,0,0]=4 3353 B13R1.1110 CC(CNCc1ncc[nH]1)C(=O)O 269956a_100000749485_100000753453 [0,1,0,0,0,1|2,0,0]=4 3354 B13R1.1110 CC(CNCc1ncco1)C(=O)O 269956a_100000749485_103436540062 [0,1,0,0,0,1|1,1,0]=4 3355 B13R1.1110 CC(CNCc1nccs1)C(=O)O 269956a_100000749485_100015184050 [0,1,0,0,0,1|1,0,0]=3 3356 B13R1.1110 CC(NCCc1ccco1)C(=O)N 2230a_100000694680_100000702099 [0,1,0,0,0,1|1,1,0]=4 3357 B13R1.1110 CC(NCCc1ccco1)C(=O)N 34a_100000694680_100000702099 [0,1,0,0,0,1|1,1,0]=4 3358 B13R1.1110 CC(NCCc1cccs1)C(=O)N 2230a_100000203755_100000702099 [0,1,0,0,0,1|1,0,0]=3 3359 B13R1.1110 CC(NCCc1cccs1)C(=O)N 34a_100000203755_100000702099 [0,1,0,0,0,1|1,0,0]=3 3360 B13R1.1110 CC(NCCc1cncs1)C(=O)N 2230a_100016991637_100000702099 [0,1,0,0,0,1|2,0,0]=4 3361 B13R1.1110 CC(NCCc1nccs1)C(=O)N 2230a_100015186391_100000702099 [0,1,0,0,0,1|2,0,0]=4 3362 B13R1.1110 CC(OCCc1cccs1)C(=O)N 34a_100011216825_100000702099 [0,1,0,0,0,1|1,0,0]=3 3363 B13R1.1110 CC(OCCc1cccs1)C(=O)N 7a_100011216825_100000702099 [0,1,0,0,0,1|1,0,0]=3 3364 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000702099_100000748579 [0,1,0,0,0,1|1,0,0]=3 3365 B13R1.1110 CC(SCCc1cccs1)C(=O)N 62a_100000748579_100000702099 [0,1,0,0,0,1|1,0,0]=3 3366 B13R1.1110 C[C@@H](NCCc1cccs1)C(=O)N 2230a_100000119354_100000748579 [0,1,0,0,0,1|1,0,0]=3 3367 B13R1.1110 C[C@@H](NCCc1cccs1)C(=O)N 34a_100000119354_100000748579 [0,1,0,0,0,1|1,0,0]=3 3368 B13R1.1110 C[C@@H](O)C(=O)CCCc1cccs1 1458a_100000717761_100010992444 [0,1,0,0,0,1|1,0,1]=4 3369 B13R1.1110 C[C@@H](OCCc1cccs1)C(=O)N 34a_100000731257_100000748579 [0,1,0,0,0,1|1,0,0]=3 3370 B13R1.1110 C[C@@H](OCCc1cccs1)C(=O)N 7a_100000731257_100000748579 [0,1,0,0,0,1|1,0,0]=3 3371 B13R1.1110 C[C@H](NCCc1c[nH]cn1)C(=O)O 269956a_100000743915_100020628418 [0,1,0,0,0,1|2,0,0]=4 3372 B13R1.1110 C[C@H](NCCc1cccs1)C(=O)O 269956a_100000743915_100000748579 [0,1,0,0,0,1|0,0,0]=2 3373 B13R1.1110 C[C@H](NCCn1cccc1)C(=O)O 269956a_100000743915_200000035178 [0,1,0,0,0,1|2,0,0]=4 3374 B13R1.1110 C[C@H](NCCn1cccn1)C(=O)O 269956a_100000743915_100000685285 [0,1,0,0,0,1|2,0,0]=4 3375 B13R1.1110 C[C@H](O)C(=O)CCCc1cccs1 1458a_217856618621_100010992444 [0,1,0,0,0,1|1,0,1]=4 3376 B13R1.1110 C[C@H](OCCc1cccs1)C(=O)[O-] 7a_217856618621_100000748579 [0,1,0,0,0,1|0,0,1]=3 3377 B13R1.1110 NC(=O)C(=O)NCCc1cccs1 240690a_100000203755_100011215815 [0,1,0,0,0,1|1,0,1]=4 3378 B13R1.1110 NC(=O)C(F)NCCc1ccco1 2230a_100000694680_100009813875 [0,1,0,0,0,1|1,1,0]=4 3379 B13R1.1110 NC(=O)C(F)NCCc1ccco1 34a_100000694680_100009813875 [0,1,0,0,0,1|1,1,0]=4 3380 B13R1.1110 NC(=O)C(F)NCCc1cccs1 2230a_100000203755_100009813875 [0,1,0,0,0,1|1,0,0]=3 3381 B13R1.1110 NC(=O)C(F)NCCc1cccs1 34a_100000203755_100009813875 [0,1,0,0,0,1|1,0,0]=3 3382 B13R1.1110 NC(=O)C(F)NCCc1cncs1 2230a_100016991637_100009813875 [0,1,0,0,0,1|2,0,0]=4 3383 B13R1.1110 NC(=O)C(F)NCCc1nccs1 2230a_100015186391_100009813875 [0,1,0,0,0,1|2,0,0]=4 3384 B13R1.1110 NC(=O)C(F)OCCc1cccs1 34a_100011216825_100009813875 [0,1,0,0,0,1|1,0,0]=3 3385 B13R1.1110 NC(=O)C(F)OCCc1cccs1 7a_100011216825_100009813875 [0,1,0,0,0,1|1,0,0]=3 3386 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100000748579_100009813875 [0,1,0,0,0,1|1,0,0]=3 3387 B13R1.1110 NC(=O)C(F)SCCc1cccs1 62a_100009813875_100000748579 [0,1,0,0,0,1|1,0,0]=3 3388 B13R1.1110 NC(=O)[C@@H](N)COCc1cncs1 34a_100000729942_100015185245 [0,1,0,0,0,1|2,0,0]=4 3389 B13R1.1110 NC(=O)[C@@H](N)COCc1nccs1 34a_100000729942_100015184050 [0,1,0,0,0,1|2,0,0]=4 3390 B13R1.1110 O=C(CCCc1cccs1)C(O)O 1458a_100000233687_100010992444 [0,1,0,0,0,1|0,0,2]=4 3391 B13R1.1110 O=C(O)C(F)CNCc1c[nH]cn1 269956a_100000084737_100000707719 [0,1,0,0,0,1|2,0,0]=4 3392 B13R1.1110 O=C(O)C(F)CNCc1ccn[nH]1 269956a_100000084737_100000728653 [0,1,0,0,0,1|2,0,0]=4 3393 B13R1.1110 O=C(O)C(F)CNCc1ccon1 269956a_100000084737_100000234950 [0,1,0,0,0,1|2,0,0]=4 3394 B13R1.1110 O=C(O)C(F)CNCc1ccsc1 269956a_100000084737_100011261437 [0,1,0,0,0,1|2,0,0]=4 3395 B13R1.1110 O=C(O)C(F)CNCc1cncs1 269956a_100000084737_100015185245 [0,1,0,0,0,1|1,0,0]=3 3396 B13R1.1110 O=C(O)C(F)CNCc1cscn1 269956a_100000084737_100000205941 [0,1,0,0,0,1|2,0,0]=4 3397 B13R1.1110 O=C(O)C(F)CNCc1ncc[nH]1 269956a_100000084737_100000753453 [0,1,0,0,0,1|2,0,0]=4 3398 B13R1.1110 O=C(O)C(F)CNCc1ncco1 269956a_100000084737_103436540062 [0,1,0,0,0,1|1,1,0]=4 3399 B13R1.1110 O=C(O)C(F)CNCc1nccs1 269956a_100000084737_100015184050 [0,1,0,0,0,1|1,0,0]=3 3400 B13R1.1110 O=C([O-])C(F)NCCc1ccco1 34a_100000694680_100020610796 [0,1,0,0,0,1|0,1,1]=4 3401 B13R1.1110 O=C([O-])C(F)NCCc1cccs1 34a_100000203755_100020610796 [0,1,0,0,0,1|0,0,1]=3 3402 B13R1.1110 O=C([O-])C(F)OCCc1cccs1 34a_100011216825_100020610796 [0,1,0,0,0,1|0,0,1]=3 3403 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100000748579_100020610796 [0,1,0,0,0,1|0,0,1]=3 3404 B13R1.1110 O=C([O-])C(F)SCCc1cccs1 62a_100020610796_100000748579 [0,1,0,0,0,1|0,0,1]=3 3405 B13R1.2904 CC(C)(O)CCCSc1cccs1 62a_100009888830_100011215356 [0,1,0,0,0,1|1,0,1]=4 3406 B13R1.2904 CC(C)(O)CCCSc1cccs1 62a_100011215356_100009888830 [0,1,0,0,0,1|1,0,1]=4 3407 B13R1.2904 CC(C)(O)CCNCc1cccs1 207a_100000707701_100000209959 [0,1,0,0,0,1|1,0,1]=4 3408 B13R1.2904 CC(C)(O)CCNCc1cccs1 2230a_100000211653_100000702414 [0,1,0,0,0,1|1,0,1]=4 3409 B13R1.2904 CC(C)(O)CCNCc1cccs1 270004a_100000707701_100000209959 [0,1,0,0,0,1|1,0,1]=4 3410 B13R1.2904 CC(C)(O)CCOCc1cccs1 34a_100000211240_100000702414 [0,1,0,0,0,1|1,0,1]=4 3411 B13R1.2904 CC(C)(O)CNCCc1cccs1 2230a_100000751335_100000748579 [0,1,0,0,0,1|1,0,1]=4 3412 B13R1.2904 CC(C)(O)CNCCc1cccs1 34a_100000203755_100000764493 [0,1,0,0,0,1|1,0,1]=4 3413 B13R1.2904 CC(C)(O)COCCc1cccs1 34a_100011216825_100000764493 [0,1,0,0,0,1|1,0,1]=4 3414 B13R1.2904 CC(C)(O)COCCc1cccs1 7a_100011216825_100000764493 [0,1,0,0,0,1|1,0,1]=4 3415 B13R1.2904 CC(C)(O)CSCCc1cccs1 62a_100000748579_100000764493 [0,1,0,0,0,1|1,0,1]=4 3416 B13R1.2904 CC(C)(O)CSCCc1cccs1 62a_100000764493_100000748579 [0,1,0,0,0,1|1,0,1]=4 3417 B13R1.2904 CS(=O)(=O)CCCSc1cccs1 62a_100000754308_100011215356 [0,1,0,0,0,1|1,0,1]=4 3418 B13R1.2904 CS(=O)(=O)CCCSc1cccs1 62a_100011215356_100000754308 [0,1,0,0,0,1|1,0,1]=4 3419 B13R1.2904 CS(=O)(=O)CCNCc1cccs1 207a_100000740961_100000209959 [0,1,0,0,0,1|1,0,1]=4 3420 B13R1.2904 CS(=O)(=O)CCNCc1cccs1 2230a_100000211653_100000731031 [0,1,0,0,0,1|1,0,1]=4 3421 B13R1.2904 CS(=O)(=O)CCNCc1cccs1 270004a_100000740961_100000209959 [0,1,0,0,0,1|1,0,1]=4 3422 B13R1.2904 CS(=O)(=O)CCOCc1cccs1 34a_100000211240_100000731031 [0,1,0,0,0,1|1,0,1]=4 3423 B13R1.2904 NS(=O)(=O)CCCSc1cccs1 62a_100000750626_100011215356 [0,1,0,0,0,1|1,0,1]=4 3424 B13R1.2904 NS(=O)(=O)CCCSc1cccs1 62a_100011215356_100000750626 [0,1,0,0,0,1|1,0,1]=4 3425 B13R1.2904 NS(=O)(=O)CCNCc1cccs1 207a_100000738205_100000209959 [0,1,0,0,0,1|1,0,1]=4 3426 B13R1.2904 NS(=O)(=O)CCNCc1cccs1 270004a_100000738205_100000209959 [0,1,0,0,0,1|1,0,1]=4 3427 B13R1.2904 NS(=O)(=O)CSCCc1cccs1 62a_100000741382_100000748579 [0,1,0,0,0,1|1,0,1]=4 3428 B13R1.2904 NS(=O)(=O)CSCCc1cccs1 62a_100000748579_100000741382 [0,1,0,0,0,1|1,0,1]=4 3429 B13R1.2904 O=S(=O)([O-])CCCSc1cccs1 62a_100009813499_100011215356 [0,1,0,0,0,1|1,0,1]=4 3430 B13R1.2904 O=S(=O)([O-])CCCSc1cccs1 62a_100011215356_100009813499 [0,1,0,0,0,1|1,0,1]=4 3431 B13R1.2904 O=S(=O)([O-])CCNCc1cccs1 2230a_100000211653_100000737633 [0,1,0,0,0,1|1,0,1]=4 3432 B13R1.2904 O=S(=O)([O-])CCOCc1cccs1 34a_100000211240_100000762736 [0,1,0,0,0,1|1,0,1]=4 3433 B13R1.2904 O=S(=O)([O-])CNCCc1cccs1 34a_100000203755_100009817235 [0,1,0,0,0,1|1,0,1]=4 3434 B13R1.2904 O=S(=O)([O-])COCCc1cccs1 34a_100011216825_100009817235 [0,1,0,0,0,1|1,0,1]=4 3435 B13R1.2904 O=S(=O)([O-])CSCCc1cccs1 62a_100000748579_100009817235 [0,1,0,0,0,1|1,0,1]=4 3436 B13R1.2904 O=S(=O)([O-])CSCCc1cccs1 62a_100009817235_100000748579 [0,1,0,0,0,1|1,0,1]=4 3437 B13R1.129 CC(NCC(=O)N)c1cc(cs1)Br 2230a_100159270200_100000747473 [0,2,0,0,0,0|2,0,0]=4 3438 B13R1.129 CC(NCC(=O)N)c1cc(cs1)Br 34a_100159270200_100000187820 [0,2,0,0,0,0|2,0,0]=4 3439 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Br 2230a_100102723530_100000747473 [0,2,0,0,0,0|2,0,0]=4 3440 B13R1.129 CC(NCC(=O)N)c1ccc(s1)Cl 2230a_100102723459_100000747473 [0,2,0,0,0,0|2,0,0]=4 3441 B13R1.129 CC(NCC(=O)[O-])c1cc(cs1)Br 34a_100159270200_100020667443 [0,2,0,0,0,0|1,0,1]=4 3442 B13R1.162 C#CC(=O)CCC(=O)c1cccs1 1458a_100000211873_100011290775 [0,2,0,0,0,0|1,0,1]=4 3443 B13R1.162 C=CC(=O)CCC(=O)c1cccs1 1458a_100000185746_100011290775 [0,2,0,0,0,0|1,0,1]=4 3444 B13R1.162 CCC(=O)CCC(=O)c1cccs1 1458a_100000210414_100011290775 [0,2,0,0,0,0|1,0,1]=4 3445 B13R1.162 CCC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747405 [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.162 CNC(=O)CNC(C)c1cccs1 2230a_100000703493_100000183359 [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.162 CNC(=O)CNC(C)c1cccs1 269862a_100000693194_100000185736 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.162 CNC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000183359 [0,2,0,0,0,0|2,0,0]=4 3449 B13R1.162 COC(=O)CNC(C)c1cccs1 2230a_100000703493_100000747449 [0,2,0,0,0,0|1,0,0]=3 3450 B13R1.162 COC(=O)CNC(C)c1nccs1 2230a_100000725601_100000747449 [0,2,0,0,0,0|2,0,0]=4 3451 B13R1.162 COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747449 [0,2,0,0,0,0|1,1,0]=4 3452 B13R1.162 COC(=O)COC(C)c1nccs1 7a_100000751044_100000747449 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000747449 [0,2,0,0,0,0|1,1,0]=4 3454 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747449 [0,2,0,0,0,0|1,1,0]=4 3455 B13R1.162 COC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747449 [0,2,0,0,0,0|1,0,0]=3 3456 B13R1.162 O=C(CO)CCC(=O)c1cccs1 1458a_100000210174_100011290775 [0,2,0,0,0,0|0,0,1]=3 3457 B13R1.162 O=C(CO)NCC(O)c1ccco1 527a_100000738650_100000210174 [0,2,0,0,0,0|1,1,0]=4 3458 B13R1.339 CC(=O)C(C)NC(C)c1cccs1 2230a_100000703493_100009814033 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.339 CC(=O)C(C)O[C@H](C)c1cccs1 7a_100000750433_100000179758 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.339 CC(NC(C)c1cccs1)C(=O)N 2230a_100000703493_100000702099 [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.339 CC(NC(F)C(=O)N)c1cccs1 2230a_100000703493_100009813875 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.339 CC(O[C@H](C)c1cccs1)C(=O)N 7a_100000750433_100000702099 [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.339 C[C@@H](OC(F)C(=O)N)c1cccs1 7a_100000750433_100009813875 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.340 CC(c1cccs1)N(C)CC(=O)N 2230a_100000186410_100000747473 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.340 CC(c1cccs1)N(C)CC(=O)N 269982a_100000186410_100000187820 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.340 CC(c1cccs1)N(C)CC(=O)[O-] 269982a_100000186410_100020667443 [0,2,0,0,0,0|1,0,1]=4 3467 B13R1.413 CCC(NCC(=O)N)c1cccs1 2230a_100000743277_100000747473 [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.413 NC(=O)CNC(CO)c1cccs1 2230a_100102422791_100000747473 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.588 CC(C)(NCC(=O)N)c1cccs1 2230a_100000757009_100000747473 [0,2,0,0,0,0|2,0,0]=4 3470 B13R1.588 CC(C)(OCC(=O)N)c1cccs1 7a_100011410533_100000187820 [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.60 CC(=O)CCSc1cc(cs1)C=O 62a_100000053229_100000737087 [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.60 CC(=O)CCSc1cc(cs1)C=O 62a_100000737087_100000053229 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.60 CC(=O)CCSc1ccc(s1)C#N 62a_100000053229_100000737243 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.60 CC(=O)CCSc1ccc(s1)C=O 62a_100000053229_100000179771 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.60 CC(=O)CCSc1ccc(s1)C=O 62a_100000179771_100000053229 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.60 CC(=O)CCSc1ccc(s1)CN 62a_100000053229_100000737305 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.60 CC(=O)CCSc1ccc(s1)CN 62a_100000737305_100000053229 [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.60 CC(=O)CCSc1ccc(s1)CO 62a_100000053229_100000246291 [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.60 CC(=O)CCSc1ccc(s1)CO 62a_100000246291_100000053229 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.60 CC(=O)COCc1ccc(s1)C#N 34a_100000211253_100010188212 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.60 CCc1ccc(s1)SCCC(=O)C 62a_100000053229_100009844052 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.60 CCc1ccc(s1)SCCC(=O)C 62a_100009844052_100000053229 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.60 CCc1ccc(s1)SCCC(=O)N 62a_100000744528_100009844052 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.60 CCc1ccc(s1)SCCC(=O)N 62a_100009844052_100000744528 [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.60 N#Cc1ccc(o1)CNCC(=O)O 269956a_100016091260_100009822536 [0,2,0,0,0,0|1,1,0]=4 3486 B13R1.60 N#Cc1ccc(s1)CNCC(=O)N 2230a_100000711301_100010188212 [0,2,0,0,0,0|2,0,0]=4 3487 B13R1.60 N#Cc1ccc(s1)CNCC(=O)O 269956a_100016091260_100010188212 [0,2,0,0,0,0|1,0,0]=3 3488 B13R1.60 N#Cc1ccc(s1)CSCC(=O)N 62a_100000747473_100010188212 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.60 N#Cc1ccc(s1)CSCC(=O)[O-] 62a_100020667443_100010188212 [0,2,0,0,0,0|1,0,1]=4 3490 B13R1.60 N#Cc1ccc(s1)SCCC(=O)N 62a_100000744528_100000737243 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.60 NC(=O)CCSc1cc(cs1)C=O 62a_100000737087_100000744528 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.60 NC(=O)CCSc1cc(cs1)C=O 62a_100000744528_100000737087 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.60 NC(=O)CCSc1ccc(s1)C=O 62a_100000179771_100000744528 [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.60 NC(=O)CCSc1ccc(s1)C=O 62a_100000744528_100000179771 [0,2,0,0,0,0|2,0,0]=4 3495 B13R1.60 NC(=O)CCSc1ccc(s1)CO 62a_100000246291_100000744528 [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.60 NC(=O)CCSc1ccc(s1)CO 62a_100000744528_100000246291 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.60 NCc1ccc(s1)SCCC(=O)N 62a_100000737305_100000744528 [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.60 NCc1ccc(s1)SCCC(=O)N 62a_100000744528_100000737305 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.60 O=Cc1ccc(o1)CNCC(=O)O 269956a_100016091260_200000079136 [0,2,0,0,0,0|1,1,0]=4 3500 B13R1.717 C=CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100000185746 [0,2,0,0,0,0|2,0,0]=4 3501 B13R1.717 C=CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_200121576911 [0,2,0,0,0,0|2,0,0]=4 3502 B13R1.717 CCC(=O)COCc1cc(cs1)Br 34a_100000725409_100000746031 [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.717 CCC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747405 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.717 CCC(=O)COCc1cc(cs1)C 7a_200000068372_100000747405 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.717 CCC(=O)COCc1ccc(s1)Br 34a_100000725409_100000708592 [0,2,0,0,0,0|2,0,0]=4 3506 B13R1.717 CCC(=O)COCc1ccc(s1)Cl 34a_100000725409_100000185097 [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747405 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000747405_100000746031 [0,2,0,0,0,0|2,0,0]=4 3509 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747405 [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000747405_100000708592 [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_100000210202 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747405 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000747405_100000185097 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 11a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 3517 B13R1.717 CCC(=O)NCCc1ccc(s1)Br 527a_100000217605_100000210414 [0,2,0,0,0,0|2,0,0]=4 3518 B13R1.717 CNC(=O)CCSc1cc(cs1)C 62a_100000737683_100009876951 [0,2,0,0,0,0|2,0,0]=4 3519 B13R1.717 CNC(=O)CCSc1cc(cs1)C 62a_100009876951_100000737683 [0,2,0,0,0,0|2,0,0]=4 3520 B13R1.717 CNC(=O)CCSc1ccc(s1)Br 62a_100000737683_100010197418 [0,2,0,0,0,0|2,0,0]=4 3521 B13R1.717 CNC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000737683 [0,2,0,0,0,0|2,0,0]=4 3522 B13R1.717 CNC(=O)CCSc1ccc(s1)C 62a_100000031368_100000737683 [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.717 CNC(=O)CCSc1ccc(s1)C 62a_100000737683_100000031368 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 207a_100000693194_100000211722 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 2230a_100000693194_100000746031 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000183359 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 270004a_100000693194_100000211722 [0,2,0,0,0,0|2,0,0]=4 3528 B13R1.717 CNC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000183359 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.717 CNC(=O)CNCc1cc(cs1)C 207a_100000693194_100102525248 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.717 CNC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000183359 [0,2,0,0,0,0|2,0,0]=4 3531 B13R1.717 CNC(=O)CNCc1cc(cs1)C 270004a_100000693194_100102525248 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.717 CNC(=O)CNCc1cc(cs1)C 34a_100015204214_100000183359 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.717 CNC(=O)CNCc1cc(cs1)Cl 207a_100000693194_100000102487 [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.717 CNC(=O)CNCc1cc(cs1)Cl 270004a_100000693194_100000102487 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.717 CNC(=O)CNCc1cc(cs1)I 207a_100000693194_100010179861 [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 207a_100000693194_100000179771 [0,2,0,0,0,0|2,0,0]=4 3537 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 2230a_100000693194_100000708592 [0,2,0,0,0,0|2,0,0]=4 3538 B13R1.717 CNC(=O)CNCc1ccc(s1)Br 270004a_100000693194_100000179771 [0,2,0,0,0,0|2,0,0]=4 3539 B13R1.717 CNC(=O)CNCc1ccc(s1)C 207a_100000693194_100000211121 [0,2,0,0,0,0|2,0,0]=4 3540 B13R1.717 CNC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000183359 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.717 CNC(=O)CNCc1ccc(s1)C 270004a_100000693194_100000211121 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 207a_100000693194_100000242774 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 2230a_100000693194_100000185097 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000183359 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.717 CNC(=O)CNCc1ccc(s1)Cl 270004a_100000693194_100000242774 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.717 CNC(=O)COCc1cc(cs1)Br 34a_100000238369_100000183359 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.717 CNC(=O)COCc1cc(cs1)Br 34a_100000750040_100000746031 [0,2,0,0,0,0|2,0,0]=4 3548 B13R1.717 CNC(=O)COCc1cc(cs1)Br 7a_100000238369_100000183359 [0,2,0,0,0,0|2,0,0]=4 3549 B13R1.717 CNC(=O)COCc1cc(cs1)C 34a_200000068372_100000183359 [0,2,0,0,0,0|2,0,0]=4 3550 B13R1.717 CNC(=O)COCc1cc(cs1)C 7a_200000068372_100000183359 [0,2,0,0,0,0|2,0,0]=4 3551 B13R1.717 CNC(=O)COCc1ccc(s1)Br 34a_100000750040_100000708592 [0,2,0,0,0,0|2,0,0]=4 3552 B13R1.717 CNC(=O)COCc1ccc(s1)C 34a_100000238367_100000183359 [0,2,0,0,0,0|2,0,0]=4 3553 B13R1.717 CNC(=O)COCc1ccc(s1)Cl 34a_100000750040_100000185097 [0,2,0,0,0,0|2,0,0]=4 3554 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000183359_100000746031 [0,2,0,0,0,0|2,0,0]=4 3555 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000183359 [0,2,0,0,0,0|2,0,0]=4 3556 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000183359_100000708592 [0,2,0,0,0,0|2,0,0]=4 3557 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000183359 [0,2,0,0,0,0|2,0,0]=4 3558 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 11a_106832991635_100000150175 [0,2,0,0,0,0|2,0,0]=4 3559 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 1626a_100102657272_100000150175 [0,2,0,0,0,0|2,0,0]=4 3560 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 240690a_100102657272_100000150175 [0,2,0,0,0,0|2,0,0]=4 3561 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 527a_100102657272_100000150175 [0,2,0,0,0,0|2,0,0]=4 3562 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000183359_100000185097 [0,2,0,0,0,0|2,0,0]=4 3563 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000183359 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 2708a_100000217605_106832991635 [0,2,0,0,0,0|2,0,0]=4 3565 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 2708a_100102657272_100000217605 [0,2,0,0,0,0|2,0,0]=4 3566 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 273464a_100000217605_100102657272 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 273464a_100102657272_100000217605 [0,2,0,0,0,0|2,0,0]=4 3568 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 512a_100000217605_100102657272 [0,2,0,0,0,0|2,0,0]=4 3569 B13R1.717 CNC(=O)NCCc1ccc(s1)Br 512a_106832991638_100000217605 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.717 COC(=O)CCSc1cc(cs1)C 62a_100000204255_100009876951 [0,2,0,0,0,0|1,0,0]=3 3571 B13R1.717 COC(=O)CCSc1cc(cs1)C 62a_100009876951_100000204255 [0,2,0,0,0,0|1,0,0]=3 3572 B13R1.717 COC(=O)CCSc1cc(ns1)C 62a_100000204255_100009815735 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.717 COC(=O)CCSc1cc(ns1)C 62a_100009815735_100000204255 [0,2,0,0,0,0|2,0,0]=4 3574 B13R1.717 COC(=O)CCSc1ccc(s1)Br 62a_100000204255_100010197418 [0,2,0,0,0,0|1,0,0]=3 3575 B13R1.717 COC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000204255 [0,2,0,0,0,0|1,0,0]=3 3576 B13R1.717 COC(=O)CCSc1ccc(s1)C 62a_100000031368_100000204255 [0,2,0,0,0,0|1,0,0]=3 3577 B13R1.717 COC(=O)CCSc1ccc(s1)C 62a_100000204255_100000031368 [0,2,0,0,0,0|1,0,0]=3 3578 B13R1.717 COC(=O)CCSc1cnc(s1)Br 62a_100000204255_100012357534 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.717 COC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000204255 [0,2,0,0,0,0|2,0,0]=4 3580 B13R1.717 COC(=O)CCSc1cnc(s1)C 62a_100000204255_100000764884 [0,2,0,0,0,0|2,0,0]=4 3581 B13R1.717 COC(=O)CCSc1cnc(s1)C 62a_100000764884_100000204255 [0,2,0,0,0,0|2,0,0]=4 3582 B13R1.717 COC(=O)CCSc1cnc(s1)N 62a_100000204255_100000718969 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.717 COC(=O)CCSc1cnc(s1)N 62a_100000718969_100000204255 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.717 COC(=O)CCSc1nc(cs1)Br 62a_100000204255_200016082925 [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.717 COC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000204255 [0,2,0,0,0,0|2,0,0]=4 3586 B13R1.717 COC(=O)CCSc1nc(cs1)C 62a_100000204255_100011291629 [0,2,0,0,0,0|2,0,0]=4 3587 B13R1.717 COC(=O)CCSc1nc(cs1)C 62a_100011291629_100000204255 [0,2,0,0,0,0|2,0,0]=4 3588 B13R1.717 COC(=O)CCSc1nc(cs1)N 62a_100000204255_200015188442 [0,2,0,0,0,0|2,0,0]=4 3589 B13R1.717 COC(=O)CCSc1nc(cs1)N 62a_200015188442_100000204255 [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.717 COC(=O)CCSc1ncc(s1)C 62a_100000204255_100000690809 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.717 COC(=O)CCSc1ncc(s1)C 62a_100000690809_100000204255 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.717 COC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747449 [0,2,0,0,0,0|1,0,0]=3 3593 B13R1.717 COC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000747449 [0,2,0,0,0,0|1,0,0]=3 3594 B13R1.717 COC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000747449 [0,2,0,0,0,0|1,0,0]=3 3595 B13R1.717 COC(=O)CNCc1cc(cs1)C 34a_100015204214_100000747449 [0,2,0,0,0,0|1,0,0]=3 3596 B13R1.717 COC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000747449 [0,2,0,0,0,0|1,1,0]=4 3597 B13R1.717 COC(=O)CNCc1ccc(o1)C 34a_100011194323_100000747449 [0,2,0,0,0,0|1,1,0]=4 3598 B13R1.717 COC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000747449 [0,2,0,0,0,0|1,0,0]=3 3599 B13R1.717 COC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747449 [0,2,0,0,0,0|1,0,0]=3 3600 B13R1.717 COC(=O)CNCc1cnc(s1)Br 2230a_100000726991_100000747449 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.717 COC(=O)CNCc1cnc(s1)C 2230a_200000743601_100000747449 [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.717 COC(=O)CNCc1cnc(s1)Cl 2230a_100000726635_100000747449 [0,2,0,0,0,0|2,0,0]=4 3603 B13R1.717 COC(=O)CNCc1nc(cs1)C 2230a_100015183719_100000747449 [0,2,0,0,0,0|2,0,0]=4 3604 B13R1.717 COC(=O)COCc1cc(cs1)Br 34a_100000238369_100000747449 [0,2,0,0,0,0|1,0,0]=3 3605 B13R1.717 COC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747449 [0,2,0,0,0,0|1,0,0]=3 3606 B13R1.717 COC(=O)COCc1cc(cs1)C 34a_200000068372_100000747449 [0,2,0,0,0,0|1,0,0]=3 3607 B13R1.717 COC(=O)COCc1cc(cs1)C 7a_200000068372_100000747449 [0,2,0,0,0,0|1,0,0]=3 3608 B13R1.717 COC(=O)COCc1ccc(o1)Br 34a_100000246276_100000747449 [0,2,0,0,0,0|1,1,0]=4 3609 B13R1.717 COC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747449 [0,2,0,0,0,0|1,1,0]=4 3610 B13R1.717 COC(=O)COCc1ccc(o1)C 34a_100011232665_100000747449 [0,2,0,0,0,0|1,1,0]=4 3611 B13R1.717 COC(=O)COCc1ccc(o1)C 7a_100011232665_100000747449 [0,2,0,0,0,0|1,1,0]=4 3612 B13R1.717 COC(=O)COCc1ccc(s1)C 34a_100000238367_100000747449 [0,2,0,0,0,0|1,0,0]=3 3613 B13R1.717 COC(=O)COCc1cnc(s1)Br 7a_100009816753_100000747449 [0,2,0,0,0,0|2,0,0]=4 3614 B13R1.717 COC(=O)COCc1cnc(s1)C 7a_100000743366_100000747449 [0,2,0,0,0,0|2,0,0]=4 3615 B13R1.717 COC(=O)COCc1cnc(s1)Cl 7a_100000697714_100000747449 [0,2,0,0,0,0|2,0,0]=4 3616 B13R1.717 COC(=O)COCc1cnc(s1)N 7a_100011997359_100000747449 [0,2,0,0,0,0|2,0,0]=4 3617 B13R1.717 COC(=O)COCc1nc(cs1)Br 7a_100012000107_100000747449 [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747449 [0,2,0,0,0,0|1,0,0]=3 3619 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000747449_100000746031 [0,2,0,0,0,0|1,0,0]=3 3620 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747449 [0,2,0,0,0,0|1,0,0]=3 3621 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000747449_100000708592 [0,2,0,0,0,0|1,0,0]=3 3622 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747449 [0,2,0,0,0,0|1,0,0]=3 3623 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000747449_100000185097 [0,2,0,0,0,0|1,0,0]=3 3624 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747449 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000747449_100000717027 [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100000747449_100020635045 [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100020635045_100000747449 [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747449 [0,2,0,0,0,0|2,0,0]=4 3629 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000747449_100000058068 [0,2,0,0,0,0|2,0,0]=4 3630 B13R1.717 COC(=O)OCSc1cc(cs1)C 62a_100009876951_100000139417 [0,2,0,0,0,0|2,0,0]=4 3631 B13R1.717 COC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000139417 [0,2,0,0,0,0|2,0,0]=4 3632 B13R1.717 COC(=O)OCSc1ccc(s1)C 62a_100000031368_100000139417 [0,2,0,0,0,0|2,0,0]=4 3633 B13R1.717 Cc1ccc(o1)CCNC(=O)CO 527a_100000739271_100000210174 [0,2,0,0,0,0|1,1,0]=4 3634 B13R1.717 Cc1cnn(c1)CCCC(=O)CO 1458a_100000210174_200015186932 [0,2,0,0,0,0|2,0,0]=4 3635 B13R1.717 Cc1csc(n1)CCNC(=O)CO 240690a_100000736835_100000210174 [0,2,0,0,0,0|2,0,0]=4 3636 B13R1.717 Cc1csc(n1)CCNC(=O)CO 527a_100000736835_100000210174 [0,2,0,0,0,0|2,0,0]=4 3637 B13R1.717 O=C(CF)CSCc1ccc(s1)Cl 1458a_100000150175_100015361967 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.717 O=C(CO)NCCc1ccc(s1)Br 240690a_100000217605_100000210174 [0,2,0,0,0,0|1,0,0]=3 3639 B13R1.717 O=C(CO)NCCc1ccc(s1)Br 527a_100000217605_100000210174 [0,2,0,0,0,0|1,0,0]=3 3640 B13R1.3424 CN(CC(=O)N)Cc1cc(cs1)Br 2230a_100000207611_100000747473 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.3424 CN(CC(=O)N)Cc1cc(cs1)Br 2230a_100000739694_100000746031 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.3424 CN(CC(=O)N)Cc1cc(cs1)Br 269982a_100000207611_100000187820 [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.3424 CN(CC(=O)N)Cc1cc(cs1)Br 270004a_100000739694_100000211722 [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.3424 CN(CC(=O)N)Cc1cc(cs1)Cl 270004a_100000739694_100000102487 [0,2,0,0,0,0|2,0,0]=4 3645 B13R1.3424 CN(CC(=O)N)Cc1ccc(s1)Br 2230a_100000739694_100000708592 [0,2,0,0,0,0|2,0,0]=4 3646 B13R1.3424 CN(CC(=O)N)Cc1ccc(s1)Br 270004a_100000739694_100000179771 [0,2,0,0,0,0|2,0,0]=4 3647 B13R1.3424 CN(CC(=O)N)Cc1ccc(s1)Cl 2230a_100000739694_100000185097 [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.3424 CN(CC(=O)N)Cc1ccc(s1)Cl 270004a_100000739694_100000242774 [0,2,0,0,0,0|2,0,0]=4 3649 B13R1.3424 CN(CC(=O)O)Cc1cc(cs1)Br 269956a_100000746989_100000746031 [0,2,0,0,0,0|1,0,0]=3 3650 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Br 269956a_100000746989_100000708592 [0,2,0,0,0,0|1,0,0]=3 3651 B13R1.3424 CN(CC(=O)O)Cc1ccc(s1)Cl 269956a_100000746989_100000185097 [0,2,0,0,0,0|1,0,0]=3 3652 B13R1.3424 CN(CC(=O)O)Cc1cnc(s1)Br 269956a_100000746989_100000717027 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.3424 CN(CC(=O)O)Cc1cnc(s1)Cl 269956a_100000746989_100000058068 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.3424 CN(CC(=O)[O-])Cc1cc(cs1)Br 269982a_100000207611_100020667443 [0,2,0,0,0,0|1,0,1]=4 3655 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 2230a_100000751125_100000747473 [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 269982a_100000751125_100000187820 [0,2,0,0,0,0|2,0,0]=4 3657 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)N 270004a_100000739694_100000211121 [0,2,0,0,0,0|2,0,0]=4 3658 B13R1.3424 Cc1ccc(s1)CN(C)CC(=O)[O-] 269982a_100000751125_100020667443 [0,2,0,0,0,0|1,0,1]=4 3659 B13R1.3424 Cc1csc(c1)CN(C)CC(=O)N 2230a_100011502060_100000747473 [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.3424 Cc1csc(c1)CN(C)CC(=O)N 269982a_100011502060_100000187820 [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.3424 Cc1csc(c1)CN(C)CC(=O)N 270004a_100000739694_100102525248 [0,2,0,0,0,0|2,0,0]=4 3662 B13R1.3424 Cc1csc(c1)CN(C)CC(=O)[O-] 269982a_100011502060_100020667443 [0,2,0,0,0,0|1,0,1]=4 3663 B13R1.3424 Cc1ncc(s1)CN(C)CC(=O)O 269956a_100000746989_100020635045 [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.3424 NC(=O)CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000187820 [0,2,0,0,0,0|1,0,1]=4 3665 B13R1.3424 NC(=O)CC(=O)Cc1cc(cs1)Br 1458a_100134613110_100000746031 [0,2,0,0,0,0|1,0,1]=4 3666 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000187820 [0,2,0,0,0,0|1,0,1]=4 3667 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Br 1458a_100134613110_100000708592 [0,2,0,0,0,0|1,0,1]=4 3668 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000187820 [0,2,0,0,0,0|1,0,1]=4 3669 B13R1.3424 NC(=O)CC(=O)Cc1ccc(s1)Cl 1458a_100134613110_100000185097 [0,2,0,0,0,0|1,0,1]=4 3670 B13R1.3424 O=C([O-])CC(=O)Cc1cc(cs1)Br 1458a_100011542370_100020667443 [0,2,0,0,0,0|0,0,2]=4 3671 B13R1.3424 O=C([O-])CC(=O)Cc1ccc(s1)Br 1458a_100000238643_100020667443 [0,2,0,0,0,0|0,0,2]=4 3672 B13R1.3424 O=C([O-])CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100020667443 [0,2,0,0,0,0|0,0,2]=4 3673 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)Br 2230a_100000741024_100009814033 [0,2,0,0,0,0|2,0,0]=4 3674 B13R1.3425 CC(=O)C(C)NCc1cc(cs1)C 2230a_100015204214_100009814033 [0,2,0,0,0,0|2,0,0]=4 3675 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)C 2230a_100000238518_100009814033 [0,2,0,0,0,0|2,0,0]=4 3676 B13R1.3425 CC(=O)C(C)NCc1ccc(s1)Cl 2230a_100000737310_100009814033 [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 34a_100000212229_100000746031 [0,2,0,0,0,0|2,0,0]=4 3678 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)Br 7a_100000238369_100000179758 [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.3425 CC(=O)C(C)OCc1cc(cs1)C 7a_200000068372_100000179758 [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Br 34a_100000212229_100000708592 [0,2,0,0,0,0|2,0,0]=4 3681 B13R1.3425 CC(=O)C(C)OCc1ccc(s1)Cl 34a_100000212229_100000185097 [0,2,0,0,0,0|2,0,0]=4 3682 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100000746031_100009814033 [0,2,0,0,0,0|2,0,0]=4 3683 B13R1.3425 CC(=O)C(C)SCc1cc(cs1)Br 62a_100009814033_100000746031 [0,2,0,0,0,0|2,0,0]=4 3684 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100000708592_100009814033 [0,2,0,0,0,0|2,0,0]=4 3685 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Br 62a_100009814033_100000708592 [0,2,0,0,0,0|2,0,0]=4 3686 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100000185097_100009814033 [0,2,0,0,0,0|2,0,0]=4 3687 B13R1.3425 CC(=O)C(C)SCc1ccc(s1)Cl 62a_100009814033_100000185097 [0,2,0,0,0,0|2,0,0]=4 3688 B13R1.3425 CC(NCc1cc(cs1)Br)C(=O)N 2230a_100000741024_100000702099 [0,2,0,0,0,0|2,0,0]=4 3689 B13R1.3425 CC(NCc1cc(cs1)Br)C(=O)N 34a_100000741024_100000702099 [0,2,0,0,0,0|2,0,0]=4 3690 B13R1.3425 CC(NCc1ccc(s1)Cl)C(=O)N 2230a_100000737310_100000702099 [0,2,0,0,0,0|2,0,0]=4 3691 B13R1.3425 CC(OCc1cc(cs1)Br)C(=O)N 34a_100000238369_100000702099 [0,2,0,0,0,0|2,0,0]=4 3692 B13R1.3425 CC(OCc1cc(cs1)Br)C(=O)N 7a_100000238369_100000702099 [0,2,0,0,0,0|2,0,0]=4 3693 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000702099_100000746031 [0,2,0,0,0,0|2,0,0]=4 3694 B13R1.3425 CC(SCc1cc(cs1)Br)C(=O)N 62a_100000746031_100000702099 [0,2,0,0,0,0|2,0,0]=4 3695 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000702099_100000708592 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.3425 CC(SCc1ccc(s1)Br)C(=O)N 62a_100000708592_100000702099 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000185097_100000702099 [0,2,0,0,0,0|2,0,0]=4 3698 B13R1.3425 CC(SCc1ccc(s1)Cl)C(=O)N 62a_100000702099_100000185097 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 2230a_100000119354_100000746031 [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 270004a_100000119354_100000211722 [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.3425 C[C@@H](NCc1cc(cs1)Br)C(=O)N 34a_100000119354_100000746031 [0,2,0,0,0,0|2,0,0]=4 3702 B13R1.3425 C[C@@H](NCc1cc(cs1)Cl)C(=O)N 270004a_100000119354_100000102487 [0,2,0,0,0,0|2,0,0]=4 3703 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 2230a_100000119354_100000708592 [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 270004a_100000119354_100000179771 [0,2,0,0,0,0|2,0,0]=4 3705 B13R1.3425 C[C@@H](NCc1ccc(s1)Br)C(=O)N 34a_100000119354_100000708592 [0,2,0,0,0,0|2,0,0]=4 3706 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 2230a_100000119354_100000185097 [0,2,0,0,0,0|2,0,0]=4 3707 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 270004a_100000119354_100000242774 [0,2,0,0,0,0|2,0,0]=4 3708 B13R1.3425 C[C@@H](NCc1ccc(s1)Cl)C(=O)N 34a_100000119354_100000185097 [0,2,0,0,0,0|2,0,0]=4 3709 B13R1.3425 C[C@@H](OCc1cc(cs1)Br)C(=O)N 34a_100000731257_100000746031 [0,2,0,0,0,0|2,0,0]=4 3710 B13R1.3425 C[C@@H](OCc1cc(cs1)Br)C(=O)N 7a_100000731257_100000746031 [0,2,0,0,0,0|2,0,0]=4 3711 B13R1.3425 C[C@@H](OCc1ccc(s1)Br)C(=O)N 34a_100000731257_100000708592 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.3425 C[C@@H](OCc1ccc(s1)Br)C(=O)N 7a_100000731257_100000708592 [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.3425 C[C@@H](OCc1ccc(s1)Cl)C(=O)N 34a_100000731257_100000185097 [0,2,0,0,0,0|2,0,0]=4 3714 B13R1.3425 C[C@@H](OCc1ccc(s1)Cl)C(=O)N 7a_100000731257_100000185097 [0,2,0,0,0,0|2,0,0]=4 3715 B13R1.3425 C[C@H](NCc1cc(cs1)Br)C(=O)O 269956a_100000743915_100000746031 [0,2,0,0,0,0|1,0,0]=3 3716 B13R1.3425 C[C@H](NCc1ccc(s1)Br)C(=O)O 269956a_100000743915_100000708592 [0,2,0,0,0,0|1,0,0]=3 3717 B13R1.3425 C[C@H](NCc1ccc(s1)Cl)C(=O)O 269956a_100000743915_100000185097 [0,2,0,0,0,0|1,0,0]=3 3718 B13R1.3425 C[C@H](NCc1cnc(s1)Br)C(=O)O 269956a_100000743915_100000717027 [0,2,0,0,0,0|2,0,0]=4 3719 B13R1.3425 C[C@H](NCc1cnc(s1)Cl)C(=O)O 269956a_100000743915_100000058068 [0,2,0,0,0,0|2,0,0]=4 3720 B13R1.3425 C[C@H](OCc1cc(cs1)Br)C(=O)[O-] 7a_217856618621_100000746031 [0,2,0,0,0,0|1,0,1]=4 3721 B13R1.3425 C[C@H](OCc1ccc(s1)Br)C(=O)[O-] 7a_217856618621_100000708592 [0,2,0,0,0,0|1,0,1]=4 3722 B13R1.3425 C[C@H](OCc1ccc(s1)Cl)C(=O)[O-] 7a_217856618621_100000185097 [0,2,0,0,0,0|1,0,1]=4 3723 B13R1.3425 Cc1ccc(s1)CNC(C)C(=O)N 2230a_100000238518_100000702099 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.3425 Cc1ccc(s1)CNC(F)C(=O)N 2230a_100000238518_100009813875 [0,2,0,0,0,0|2,0,0]=4 3725 B13R1.3425 Cc1ccc(s1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211121 [0,2,0,0,0,0|2,0,0]=4 3726 B13R1.3425 Cc1ccc(s1)COC(C)C(=O)N 34a_100000238367_100000702099 [0,2,0,0,0,0|2,0,0]=4 3727 B13R1.3425 Cc1ccc(s1)COC(F)C(=O)N 34a_100000238367_100009813875 [0,2,0,0,0,0|2,0,0]=4 3728 B13R1.3425 Cc1ccc(s1)COC(F)C(=O)[O-] 34a_100000238367_100020610796 [0,2,0,0,0,0|1,0,1]=4 3729 B13R1.3425 Cc1csc(c1)CNC(C)C(=O)N 2230a_100015204214_100000702099 [0,2,0,0,0,0|2,0,0]=4 3730 B13R1.3425 Cc1csc(c1)CNC(C)C(=O)N 34a_100015204214_100000702099 [0,2,0,0,0,0|2,0,0]=4 3731 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)N 2230a_100015204214_100009813875 [0,2,0,0,0,0|2,0,0]=4 3732 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)N 34a_100015204214_100009813875 [0,2,0,0,0,0|2,0,0]=4 3733 B13R1.3425 Cc1csc(c1)CNC(F)C(=O)[O-] 34a_100015204214_100020610796 [0,2,0,0,0,0|1,0,1]=4 3734 B13R1.3425 Cc1csc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100102525248 [0,2,0,0,0,0|2,0,0]=4 3735 B13R1.3425 Cc1csc(c1)COC(C)C(=O)N 34a_200000068372_100000702099 [0,2,0,0,0,0|2,0,0]=4 3736 B13R1.3425 Cc1csc(c1)COC(C)C(=O)N 7a_200000068372_100000702099 [0,2,0,0,0,0|2,0,0]=4 3737 B13R1.3425 Cc1csc(c1)COC(F)C(=O)N 34a_200000068372_100009813875 [0,2,0,0,0,0|2,0,0]=4 3738 B13R1.3425 Cc1csc(c1)COC(F)C(=O)N 7a_200000068372_100009813875 [0,2,0,0,0,0|2,0,0]=4 3739 B13R1.3425 Cc1csc(c1)COC(F)C(=O)[O-] 34a_200000068372_100020610796 [0,2,0,0,0,0|1,0,1]=4 3740 B13R1.3425 Cc1ncc(s1)CN[C@@H](C)C(=O)O 269956a_100000743915_100020635045 [0,2,0,0,0,0|2,0,0]=4 3741 B13R1.3425 NC(=O)C(F)NCc1cc(cs1)Br 2230a_100000741024_100009813875 [0,2,0,0,0,0|2,0,0]=4 3742 B13R1.3425 NC(=O)C(F)NCc1cc(cs1)Br 34a_100000741024_100009813875 [0,2,0,0,0,0|2,0,0]=4 3743 B13R1.3425 NC(=O)C(F)NCc1ccc(s1)Cl 2230a_100000737310_100009813875 [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.3425 NC(=O)C(F)OCc1cc(cs1)Br 34a_100000238369_100009813875 [0,2,0,0,0,0|2,0,0]=4 3745 B13R1.3425 NC(=O)C(F)OCc1cc(cs1)Br 7a_100000238369_100009813875 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100000746031_100009813875 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.3425 NC(=O)C(F)SCc1cc(cs1)Br 62a_100009813875_100000746031 [0,2,0,0,0,0|2,0,0]=4 3748 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100000708592_100009813875 [0,2,0,0,0,0|2,0,0]=4 3749 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Br 62a_100009813875_100000708592 [0,2,0,0,0,0|2,0,0]=4 3750 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100000185097_100009813875 [0,2,0,0,0,0|2,0,0]=4 3751 B13R1.3425 NC(=O)C(F)SCc1ccc(s1)Cl 62a_100009813875_100000185097 [0,2,0,0,0,0|2,0,0]=4 3752 B13R1.3425 O=C([O-])C(F)NCc1cc(cs1)Br 34a_100000741024_100020610796 [0,2,0,0,0,0|1,0,1]=4 3753 B13R1.3425 O=C([O-])C(F)OCc1cc(cs1)Br 34a_100000238369_100020610796 [0,2,0,0,0,0|1,0,1]=4 3754 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100000746031_100020610796 [0,2,0,0,0,0|1,0,1]=4 3755 B13R1.3425 O=C([O-])C(F)SCc1cc(cs1)Br 62a_100020610796_100000746031 [0,2,0,0,0,0|1,0,1]=4 3756 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100000708592_100020610796 [0,2,0,0,0,0|1,0,1]=4 3757 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Br 62a_100020610796_100000708592 [0,2,0,0,0,0|1,0,1]=4 3758 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100000185097_100020610796 [0,2,0,0,0,0|1,0,1]=4 3759 B13R1.3425 O=C([O-])C(F)SCc1ccc(s1)Cl 62a_100020610796_100000185097 [0,2,0,0,0,0|1,0,1]=4 3760 B13R1.3443 CC(=O)CCSc1cc(c(s1)C)C 62a_100000053229_100009850898 [0,2,0,0,0,0|2,0,0]=4 3761 B13R1.3443 CC(=O)CCSc1cc(c(s1)C)C 62a_100009850898_100000053229 [0,2,0,0,0,0|2,0,0]=4 3762 B13R1.3443 Cc1cc(sc1C)SCCC(=O)N 62a_100000744528_100009850898 [0,2,0,0,0,0|2,0,0]=4 3763 B13R1.3443 Cc1cc(sc1C)SCCC(=O)N 62a_100009850898_100000744528 [0,2,0,0,0,0|2,0,0]=4 3764 B13R1.3443 Cc1nc(sc1C)CNCC(=O)O 269956a_100016091260_100000763442 [0,2,0,0,0,0|2,0,0]=4 3765 B13R1.3485 CC(=O)CCSc1sc(cc1C)C 62a_100000053229_100000689295 [0,2,0,0,0,0|2,0,0]=4 3766 B13R1.3485 CC(=O)CCSc1sc(cc1C)C 62a_100000689295_100000053229 [0,2,0,0,0,0|2,0,0]=4 3767 B13R1.3485 Cc1cc(c(s1)SCCC(=O)N)C 62a_100000689295_100000744528 [0,2,0,0,0,0|2,0,0]=4 3768 B13R1.3485 Cc1cc(c(s1)SCCC(=O)N)C 62a_100000744528_100000689295 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.3485 Cc1nc(c(s1)CNCC(=O)O)Br 269956a_100016091260_100015664652 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.3485 Cc1nc(c(s1)CNCC(=O)O)C 269956a_100016091260_100000760948 [0,2,0,0,0,0|2,0,0]=4 3771 B13R1.103 CC(=O)CCSc1sccc1C#N 62a_100000053229_100009817073 [0,2,0,0,0,0|2,0,0]=4 3772 B13R1.103 CC(=O)CCSc1sccc1C=O 62a_100000053229_100009816921 [0,2,0,0,0,0|2,0,0]=4 3773 B13R1.103 CC(=O)CCSc1sccc1C=O 62a_100009816921_100000053229 [0,2,0,0,0,0|2,0,0]=4 3774 B13R1.103 CC(=O)CCSc1sccc1CN 62a_100000053229_100000727803 [0,2,0,0,0,0|2,0,0]=4 3775 B13R1.103 CC(=O)CCSc1sccc1CN 62a_100000727803_100000053229 [0,2,0,0,0,0|2,0,0]=4 3776 B13R1.103 CC(=O)CCSc1sccc1CO 62a_100000053229_100009816922 [0,2,0,0,0,0|2,0,0]=4 3777 B13R1.103 CC(=O)CCSc1sccc1CO 62a_100009816922_100000053229 [0,2,0,0,0,0|2,0,0]=4 3778 B13R1.103 CCc1ccsc1SCCC(=O)C 62a_100000053229_200009875468 [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.103 CCc1ccsc1SCCC(=O)C 62a_200009875468_100000053229 [0,2,0,0,0,0|2,0,0]=4 3780 B13R1.103 CCc1ccsc1SCCC(=O)N 62a_100000744528_200009875468 [0,2,0,0,0,0|2,0,0]=4 3781 B13R1.103 CCc1ccsc1SCCC(=O)N 62a_200009875468_100000744528 [0,2,0,0,0,0|2,0,0]=4 3782 B13R1.103 N#Cc1ccsc1NCCC(=O)N 27a_100000740010_100009817073 [0,2,0,0,0,0|2,0,0]=4 3783 B13R1.103 N#Cc1ccsc1SCCC(=O)N 62a_100000744528_100009817073 [0,2,0,0,0,0|2,0,0]=4 3784 B13R1.103 NC(=O)CCSc1sccc1C=O 62a_100000744528_100009816921 [0,2,0,0,0,0|2,0,0]=4 3785 B13R1.103 NC(=O)CCSc1sccc1C=O 62a_100009816921_100000744528 [0,2,0,0,0,0|2,0,0]=4 3786 B13R1.103 NC(=O)CCSc1sccc1CO 62a_100000744528_100009816922 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.103 NC(=O)CCSc1sccc1CO 62a_100009816922_100000744528 [0,2,0,0,0,0|2,0,0]=4 3788 B13R1.103 NCc1ccsc1SCCC(=O)N 62a_100000727803_100000744528 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.103 NCc1ccsc1SCCC(=O)N 62a_100000744528_100000727803 [0,2,0,0,0,0|2,0,0]=4 3790 B13R1.169 CC(=O)C(C)NCc1sccc1C 2230a_100000238519_100009814033 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.169 CC(=O)C(C)NCc1sccc1Cl 2230a_100011934584_100009814033 [0,2,0,0,0,0|2,0,0]=4 3792 B13R1.169 CC(=O)C(C)OCc1sccc1C 7a_100000238368_100000179758 [0,2,0,0,0,0|2,0,0]=4 3793 B13R1.169 CC(=O)C(C)OCc1sccc1Cl 7a_100000722387_100000179758 [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.169 CC(NCc1sccc1Cl)C(=O)N 2230a_100011934584_100000702099 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.169 CC(NCc1sccc1Cl)C(=O)N 34a_100011934584_100000702099 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.169 CC(OCc1sccc1Br)C(=O)N 34a_100000702026_100000702099 [0,2,0,0,0,0|2,0,0]=4 3797 B13R1.169 CC(OCc1sccc1Cl)C(=O)N 34a_100000722387_100000702099 [0,2,0,0,0,0|2,0,0]=4 3798 B13R1.169 CC(OCc1sccc1Cl)C(=O)N 7a_100000722387_100000702099 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.169 C[C@@H](NCc1sccc1Br)C(=O)N 270004a_100000119354_100000766043 [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.169 C[C@@H](NCc1sccc1Cl)C(=O)N 270004a_100000119354_100000722334 [0,2,0,0,0,0|2,0,0]=4 3801 B13R1.169 Cc1ccsc1CNC(C)C(=O)N 2230a_100000238519_100000702099 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.169 Cc1ccsc1CNC(C)C(=O)N 34a_100000238519_100000702099 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.169 Cc1ccsc1CNC(F)C(=O)N 2230a_100000238519_100009813875 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.169 Cc1ccsc1CNC(F)C(=O)N 34a_100000238519_100009813875 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.169 Cc1ccsc1CNC(F)C(=O)[O-] 34a_100000238519_100020610796 [0,2,0,0,0,0|1,0,1]=4 3806 B13R1.169 Cc1ccsc1CN[C@H](C)C(=O)N 270004a_100000119354_100000210881 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.169 Cc1ccsc1COC(C)C(=O)N 34a_100000238368_100000702099 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.169 Cc1ccsc1COC(C)C(=O)N 7a_100000238368_100000702099 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.169 Cc1ccsc1COC(F)C(=O)N 34a_100000238368_100009813875 [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.169 Cc1ccsc1COC(F)C(=O)N 7a_100000238368_100009813875 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.169 Cc1ccsc1COC(F)C(=O)[O-] 34a_100000238368_100020610796 [0,2,0,0,0,0|1,0,1]=4 3812 B13R1.169 NC(=O)C(F)NCc1sccc1Cl 2230a_100011934584_100009813875 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.169 NC(=O)C(F)NCc1sccc1Cl 34a_100011934584_100009813875 [0,2,0,0,0,0|2,0,0]=4 3814 B13R1.169 NC(=O)C(F)OCc1sccc1Br 34a_100000702026_100009813875 [0,2,0,0,0,0|2,0,0]=4 3815 B13R1.169 NC(=O)C(F)OCc1sccc1Cl 34a_100000722387_100009813875 [0,2,0,0,0,0|2,0,0]=4 3816 B13R1.169 NC(=O)C(F)OCc1sccc1Cl 7a_100000722387_100009813875 [0,2,0,0,0,0|2,0,0]=4 3817 B13R1.169 O=C([O-])C(F)NCc1sccc1Cl 34a_100011934584_100020610796 [0,2,0,0,0,0|1,0,1]=4 3818 B13R1.169 O=C([O-])C(F)OCc1sccc1Br 34a_100000702026_100020610796 [0,2,0,0,0,0|1,0,1]=4 3819 B13R1.169 O=C([O-])C(F)OCc1sccc1Cl 34a_100000722387_100020610796 [0,2,0,0,0,0|1,0,1]=4 3820 B13R1.282 CN(CC(=O)N)Cc1sccc1Br 2230a_100000767120_100000747473 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.282 CN(CC(=O)N)Cc1sccc1Br 269982a_100000767120_100000187820 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.282 CN(CC(=O)N)Cc1sccc1Br 270004a_100000739694_100000766043 [0,2,0,0,0,0|2,0,0]=4 3823 B13R1.282 CN(CC(=O)N)Cc1sccc1Cl 270004a_100000739694_100000722334 [0,2,0,0,0,0|2,0,0]=4 3824 B13R1.282 CN(CC(=O)[O-])Cc1sccc1Br 269982a_100000767120_100020667443 [0,2,0,0,0,0|1,0,1]=4 3825 B13R1.282 Cc1ccsc1CN(C)CC(=O)N 2230a_100000695154_100000747473 [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.282 Cc1ccsc1CN(C)CC(=O)N 269982a_100000695154_100000187820 [0,2,0,0,0,0|2,0,0]=4 3827 B13R1.282 Cc1ccsc1CN(C)CC(=O)N 270004a_100000739694_100000210881 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.282 Cc1ccsc1CN(C)CC(=O)[O-] 269982a_100000695154_100020667443 [0,2,0,0,0,0|1,0,1]=4 3829 B13R1.599 CCC(=O)COCc1sccc1C 7a_100000238368_100000747405 [0,2,0,0,0,0|2,0,0]=4 3830 B13R1.599 CCC(=O)COCc1sccc1Cl 7a_100000722387_100000747405 [0,2,0,0,0,0|2,0,0]=4 3831 B13R1.599 CNC(=O)CCSc1sccc1Br 62a_100000737683_100012361411 [0,2,0,0,0,0|2,0,0]=4 3832 B13R1.599 CNC(=O)CCSc1sccc1Br 62a_100012361411_100000737683 [0,2,0,0,0,0|2,0,0]=4 3833 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100000737683_100010247149 [0,2,0,0,0,0|2,0,0]=4 3834 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100010247149_100000737683 [0,2,0,0,0,0|2,0,0]=4 3835 B13R1.599 CNC(=O)CNCc1sccc1Br 207a_100000693194_100000766043 [0,2,0,0,0,0|2,0,0]=4 3836 B13R1.599 CNC(=O)CNCc1sccc1Br 270004a_100000693194_100000766043 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.599 CNC(=O)CNCc1sccc1C 207a_100000693194_100000210881 [0,2,0,0,0,0|2,0,0]=4 3838 B13R1.599 CNC(=O)CNCc1sccc1C 2230a_100000238519_100000183359 [0,2,0,0,0,0|2,0,0]=4 3839 B13R1.599 CNC(=O)CNCc1sccc1C 270004a_100000693194_100000210881 [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.599 CNC(=O)CNCc1sccc1C 34a_100000238519_100000183359 [0,2,0,0,0,0|2,0,0]=4 3841 B13R1.599 CNC(=O)CNCc1sccc1Cl 207a_100000693194_100000722334 [0,2,0,0,0,0|2,0,0]=4 3842 B13R1.599 CNC(=O)CNCc1sccc1Cl 2230a_100011934584_100000183359 [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.599 CNC(=O)CNCc1sccc1Cl 270004a_100000693194_100000722334 [0,2,0,0,0,0|2,0,0]=4 3844 B13R1.599 CNC(=O)CNCc1sccc1Cl 34a_100011934584_100000183359 [0,2,0,0,0,0|2,0,0]=4 3845 B13R1.599 CNC(=O)COCc1sccc1Br 34a_100000702026_100000183359 [0,2,0,0,0,0|2,0,0]=4 3846 B13R1.599 CNC(=O)COCc1sccc1C 34a_100000238368_100000183359 [0,2,0,0,0,0|2,0,0]=4 3847 B13R1.599 CNC(=O)COCc1sccc1C 7a_100000238368_100000183359 [0,2,0,0,0,0|2,0,0]=4 3848 B13R1.599 CNC(=O)COCc1sccc1Cl 34a_100000722387_100000183359 [0,2,0,0,0,0|2,0,0]=4 3849 B13R1.599 CNC(=O)COCc1sccc1Cl 7a_100000722387_100000183359 [0,2,0,0,0,0|2,0,0]=4 3850 B13R1.599 COC(=O)CCSc1sccc1Br 62a_100000204255_100012361411 [0,2,0,0,0,0|1,0,0]=3 3851 B13R1.599 COC(=O)CCSc1sccc1Br 62a_100012361411_100000204255 [0,2,0,0,0,0|1,0,0]=3 3852 B13R1.599 COC(=O)CCSc1sccc1C 62a_100000204255_100010247149 [0,2,0,0,0,0|1,0,0]=3 3853 B13R1.599 COC(=O)CCSc1sccc1C 62a_100010247149_100000204255 [0,2,0,0,0,0|1,0,0]=3 3854 B13R1.599 COC(=O)CCSc1scnc1C 62a_100000204255_100009817116 [0,2,0,0,0,0|2,0,0]=4 3855 B13R1.599 COC(=O)CCSc1scnc1C 62a_100009817116_100000204255 [0,2,0,0,0,0|2,0,0]=4 3856 B13R1.599 COC(=O)CNCc1cccn1C 34a_100011219357_100000747449 [0,2,0,0,0,0|2,0,0]=4 3857 B13R1.599 COC(=O)CNCc1sccc1C 2230a_100000238519_100000747449 [0,2,0,0,0,0|1,0,0]=3 3858 B13R1.599 COC(=O)CNCc1sccc1C 34a_100000238519_100000747449 [0,2,0,0,0,0|1,0,0]=3 3859 B13R1.599 COC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747449 [0,2,0,0,0,0|1,0,0]=3 3860 B13R1.599 COC(=O)CNCc1sccc1Cl 34a_100011934584_100000747449 [0,2,0,0,0,0|1,0,0]=3 3861 B13R1.599 COC(=O)CNCc1scnc1C 2230a_100000752186_100000747449 [0,2,0,0,0,0|2,0,0]=4 3862 B13R1.599 COC(=O)COCc1occc1C 34a_100011273948_100000747449 [0,2,0,0,0,0|1,1,0]=4 3863 B13R1.599 COC(=O)COCc1occc1C 7a_100011273948_100000747449 [0,2,0,0,0,0|1,1,0]=4 3864 B13R1.599 COC(=O)COCc1sccc1Br 34a_100000702026_100000747449 [0,2,0,0,0,0|1,0,0]=3 3865 B13R1.599 COC(=O)COCc1sccc1C 34a_100000238368_100000747449 [0,2,0,0,0,0|1,0,0]=3 3866 B13R1.599 COC(=O)COCc1sccc1C 7a_100000238368_100000747449 [0,2,0,0,0,0|1,0,0]=3 3867 B13R1.599 COC(=O)COCc1sccc1Cl 34a_100000722387_100000747449 [0,2,0,0,0,0|1,0,0]=3 3868 B13R1.599 COC(=O)COCc1sccc1Cl 7a_100000722387_100000747449 [0,2,0,0,0,0|1,0,0]=3 3869 B13R1.599 COC(=O)COCc1scnc1Br 7a_100012000948_100000747449 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.599 COC(=O)COCc1scnc1C 34a_100000750112_100000747449 [0,2,0,0,0,0|2,0,0]=4 3871 B13R1.599 COC(=O)COCc1scnc1C 7a_100000750112_100000747449 [0,2,0,0,0,0|2,0,0]=4 3872 B13R1.599 COC(=O)OCSc1sccc1Br 62a_100012361411_100000139417 [0,2,0,0,0,0|2,0,0]=4 3873 B13R1.599 COC(=O)OCSc1sccc1C 62a_100010247149_100000139417 [0,2,0,0,0,0|2,0,0]=4 3874 B13R1.599 Cc1ncsc1CCNC(=O)CO 240690a_100000238517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3875 B13R1.599 Cc1ncsc1CCNC(=O)CO 527a_100000238517_100000210174 [0,2,0,0,0,0|2,0,0]=4 3876 B13R1.599 Cn1cccc1CCNC(=O)CO 240690a_100011251756_100000210174 [0,2,0,0,0,0|2,0,0]=4 3877 B13R1.599 Cn1cccc1CCNC(=O)CO 527a_100011251756_100000210174 [0,2,0,0,0,0|2,0,0]=4 3878 B13R1.346 CC(=O)C(C)C(=O)Cc1cccs1 1458a_100000210189_100000179758 [0,2,0,0,0,0|1,0,1]=4 3879 B13R1.346 CC(=O)C(C)N(C)Cc1cccs1 2230a_100000184426_100009814033 [0,2,0,0,0,0|2,0,0]=4 3880 B13R1.346 CC(=O)C(C)N(C)Cc1cccs1 269982a_100000184426_100009814033 [0,2,0,0,0,0|2,0,0]=4 3881 B13R1.346 CC(C(=O)N)C(=O)Cc1cccs1 1458a_100000210189_100000702099 [0,2,0,0,0,0|1,0,1]=4 3882 B13R1.346 CC(C(=O)N)N(C)Cc1cccs1 2230a_100000184426_100000702099 [0,2,0,0,0,0|2,0,0]=4 3883 B13R1.346 CC(C(=O)N)N(C)Cc1cccs1 269982a_100000184426_100000184083 [0,2,0,0,0,0|2,0,0]=4 3884 B13R1.346 CC(C(=O)O)N(C)Cc1cncs1 269956a_100000749554_100015185245 [0,2,0,0,0,0|2,0,0]=4 3885 B13R1.346 CC(C(=O)O)N(C)Cc1nccs1 269956a_100000749554_100015184050 [0,2,0,0,0,0|2,0,0]=4 3886 B13R1.346 CN(Cc1cccs1)C(F)C(=O)N 2230a_100000184426_100009813875 [0,2,0,0,0,0|2,0,0]=4 3887 B13R1.346 CN(Cc1cccs1)C(F)C(=O)N 269982a_100000184426_100009813875 [0,2,0,0,0,0|2,0,0]=4 3888 B13R1.346 NC(=O)C(F)C(=O)Cc1cccs1 1458a_100000210189_100009813875 [0,2,0,0,0,0|1,0,1]=4 3889 B13R1.346 O=C([O-])C(F)C(=O)Cc1cccs1 1458a_100000210189_100020610796 [0,2,0,0,0,0|0,0,2]=4 3890 B13R1.420 CCN(CC(=O)N)Cc1cccs1 2230a_100025770963_100000747473 [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.420 CCN(CC(=O)N)Cc1cccs1 269982a_100025770963_100000187820 [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.420 CCN(CC(=O)O)Cc1cncs1 269956a_100000746405_100015185245 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.420 CCN(CC(=O)O)Cc1nccs1 269956a_100000746405_100015184050 [0,2,0,0,0,0|2,0,0]=4 3894 B13R1.420 CCN(CC(=O)[O-])Cc1cccs1 269982a_100025770963_100020667443 [0,2,0,0,0,0|1,0,1]=4 3895 B13R1.545 C=CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000185746 [0,2,0,0,0,0|2,0,0]=4 3896 B13R1.545 C=CC(=O)NC(C)Cc1cccs1 240690a_100000751415_200121576911 [0,2,0,0,0,0|2,0,0]=4 3897 B13R1.545 CC(Cc1cccs1)NC(=O)CO 240690a_100000751415_100000210174 [0,2,0,0,0,0|1,0,0]=3 3898 B13R1.545 CC(Cc1cccs1)NC(=O)CO 527a_100000751415_100000210174 [0,2,0,0,0,0|1,0,0]=3 3899 B13R1.545 CCC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747405 [0,2,0,0,0,0|1,0,1]=4 3900 B13R1.545 CCC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747405 [0,2,0,0,0,0|2,0,0]=4 3901 B13R1.545 CCC(=O)NC(C)Cc1cccs1 11a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 3902 B13R1.545 CCC(=O)NC(C)Cc1cccs1 1626a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 3903 B13R1.545 CCC(=O)NC(C)Cc1cccs1 240690a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 3904 B13R1.545 CCC(=O)NC(C)Cc1cccs1 527a_100000751415_100000210414 [0,2,0,0,0,0|2,0,0]=4 3905 B13R1.545 CNC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000183359 [0,2,0,0,0,0|1,0,1]=4 3906 B13R1.545 CNC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000183359 [0,2,0,0,0,0|2,0,0]=4 3907 B13R1.545 CNC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000183359 [0,2,0,0,0,0|2,0,0]=4 3908 B13R1.545 CNC(=O)CN(C)Cc1cccs1 270004a_100000189611_100000209959 [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100000751415_106832991635 [0,2,0,0,0,0|2,0,0]=4 3910 B13R1.545 CNC(=O)NC(C)Cc1cccs1 2708a_100102657272_100000751415 [0,2,0,0,0,0|2,0,0]=4 3911 B13R1.545 CNC(=O)NC(C)Cc1cccs1 273464a_100000751415_100102657272 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_100000751415_100102657272 [0,2,0,0,0,0|2,0,0]=4 3913 B13R1.545 CNC(=O)NC(C)Cc1cccs1 512a_106832991638_100000751415 [0,2,0,0,0,0|2,0,0]=4 3914 B13R1.545 COC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747449 [0,2,0,0,0,0|1,0,1]=4 3915 B13R1.545 COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747449 [0,2,0,0,0,0|0,1,1]=4 3916 B13R1.545 COC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747449 [0,2,0,0,0,0|0,0,1]=3 3917 B13R1.545 COC(=O)CC(=O)Cc1cncs1 1458a_100000211351_100015185245 [0,2,0,0,0,0|1,0,1]=4 3918 B13R1.545 COC(=O)CC(=O)Cc1nccs1 1458a_100000211351_100015184050 [0,2,0,0,0,0|1,0,1]=4 3919 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009814098_100009817358 [0,2,0,0,0,0|1,1,0]=4 3920 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009817358_100009814098 [0,2,0,0,0,0|1,1,0]=4 3921 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100009817358_100011215356 [0,2,0,0,0,0|1,0,0]=3 3922 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100011215356_100009817358 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.545 COC(=O)CC(C)Sc1cncs1 62a_100009817358_100011934649 [0,2,0,0,0,0|2,0,0]=4 3924 B13R1.545 COC(=O)CC(C)Sc1cncs1 62a_100011934649_100009817358 [0,2,0,0,0,0|2,0,0]=4 3925 B13R1.545 COC(=O)CC(C)Sc1nccs1 62a_100000211983_100009817358 [0,2,0,0,0,0|2,0,0]=4 3926 B13R1.545 COC(=O)CC(C)Sc1nccs1 62a_100009817358_100000211983 [0,2,0,0,0,0|2,0,0]=4 3927 B13R1.545 COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747449 [0,2,0,0,0,0|1,1,0]=4 3928 B13R1.545 COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747449 [0,2,0,0,0,0|1,1,0]=4 3929 B13R1.545 COC(=O)CN(C)Cc1ccco1 270004a_100000198492_100000186105 [0,2,0,0,0,0|1,1,0]=4 3930 B13R1.545 COC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000747449 [0,2,0,0,0,0|1,0,0]=3 3931 B13R1.545 COC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747449 [0,2,0,0,0,0|1,0,0]=3 3932 B13R1.545 COC(=O)CN(C)Cc1cccs1 270004a_100000198492_100000209959 [0,2,0,0,0,0|1,0,0]=3 3933 B13R1.545 COC(=O)CN(C)Cc1cncs1 2230a_100000198492_100015185245 [0,2,0,0,0,0|2,0,0]=4 3934 B13R1.545 COC(=O)CN(C)Cc1cncs1 270004a_100000198492_100000749870 [0,2,0,0,0,0|2,0,0]=4 3935 B13R1.545 COC(=O)CN(C)Cc1nccs1 2230a_100000198492_100015184050 [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.545 COC(=O)CN(C)Cc1nccs1 2230a_100000765864_100000747449 [0,2,0,0,0,0|2,0,0]=4 3937 B13R1.545 COC(=O)CN(C)Cc1nccs1 269982a_100000765864_100000747449 [0,2,0,0,0,0|2,0,0]=4 3938 B13R1.545 COC(=O)CN(C)Cc1nccs1 270004a_100000198492_100000750902 [0,2,0,0,0,0|2,0,0]=4 3939 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100009813391_100011215356 [0,2,0,0,0,0|1,0,1]=4 3940 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100011215356_100009813391 [0,2,0,0,0,0|1,0,1]=4 3941 B13R1.554 CCC(=O)C(C)NCc1cccs1 2230a_100000211653_100000742827 [0,2,0,0,0,0|2,0,0]=4 3942 B13R1.554 CNC(=O)C(=O)CCc1cccs1 1458a_100011218921_100000748579 [0,2,0,0,0,0|1,0,1]=4 3943 B13R1.554 CNC(=O)C(C)NCc1cccs1 2230a_100000211653_100000731044 [0,2,0,0,0,0|2,0,0]=4 3944 B13R1.554 CNC(=O)C(C)OCc1cccs1 34a_100000211240_100000731044 [0,2,0,0,0,0|2,0,0]=4 3945 B13R1.554 CNC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813575 [0,2,0,0,0,0|2,0,0]=4 3946 B13R1.554 CNC(=O)C(F)OCc1cccs1 34a_100000211240_100009813575 [0,2,0,0,0,0|2,0,0]=4 3947 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011215356_100011610305 [0,2,0,0,0,0|1,0,1]=4 3948 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011610305_100011215356 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.554 COC(=O)C(=O)NCc1cccs1 11a_100000211653_100000024059 [0,2,0,0,0,0|1,0,1]=4 3950 B13R1.554 COC(=O)C(=O)NCc1cccs1 1626a_100000211653_100000024059 [0,2,0,0,0,0|1,0,1]=4 3951 B13R1.554 COC(=O)C(=O)NCc1cccs1 240690a_100000211653_100000024059 [0,2,0,0,0,0|1,0,1]=4 3952 B13R1.554 COC(=O)C(=O)NCc1cccs1 527a_100000211653_100000024059 [0,2,0,0,0,0|1,0,1]=4 3953 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100000698445_100009814098 [0,2,0,0,0,0|1,1,0]=4 3954 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100009814098_100000698445 [0,2,0,0,0,0|1,1,0]=4 3955 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100000698445_100011215356 [0,2,0,0,0,0|1,0,0]=3 3956 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100011215356_100000698445 [0,2,0,0,0,0|1,0,0]=3 3957 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100000698445_100011934649 [0,2,0,0,0,0|2,0,0]=4 3958 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100011934649_100000698445 [0,2,0,0,0,0|2,0,0]=4 3959 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000211983_100000698445 [0,2,0,0,0,0|2,0,0]=4 3960 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000698445_100000211983 [0,2,0,0,0,0|2,0,0]=4 3961 B13R1.554 COC(=O)C(C)NCc1ccco1 2230a_100000185738_100000211248 [0,2,0,0,0,0|1,1,0]=4 3962 B13R1.554 COC(=O)C(C)NCc1ccco1 34a_100000185738_100000211248 [0,2,0,0,0,0|1,1,0]=4 3963 B13R1.554 COC(=O)C(C)NCc1cccs1 2230a_100000211653_100000211248 [0,2,0,0,0,0|1,0,0]=3 3964 B13R1.554 COC(=O)C(C)NCc1cncs1 2230a_100016987365_100000211248 [0,2,0,0,0,0|2,0,0]=4 3965 B13R1.554 COC(=O)C(C)NCc1nccs1 2230a_100000740555_100000211248 [0,2,0,0,0,0|2,0,0]=4 3966 B13R1.554 COC(=O)C(C)OCc1ccco1 34a_100000210059_100000211248 [0,2,0,0,0,0|1,1,0]=4 3967 B13R1.554 COC(=O)C(C)OCc1cccs1 34a_100000211240_100000211248 [0,2,0,0,0,0|1,0,0]=3 3968 B13R1.554 COC(=O)C(C)OCc1cncs1 34a_100011215400_100015185245 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.554 COC(=O)C(C)OCc1nccs1 34a_100011215400_100015184050 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100000211248_100015185245 [0,2,0,0,0,0|2,0,0]=4 3971 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100015185245_100000211248 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100000211248_100015184050 [0,2,0,0,0,0|2,0,0]=4 3973 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100015184050_100000211248 [0,2,0,0,0,0|2,0,0]=4 3974 B13R1.1074 CC(C)(CSc1cccs1)C(=O)N 62a_100011215356_200009895572 [0,2,0,0,0,0|2,0,0]=4 3975 B13R1.1074 CC(C)(CSc1cccs1)C(=O)N 62a_200009895572_100011215356 [0,2,0,0,0,0|2,0,0]=4 3976 B13R1.1074 CC(C)(NCc1cccs1)C(=O)N 2230a_100000211653_100000702505 [0,2,0,0,0,0|2,0,0]=4 3977 B13R1.1074 CC(C)(OCc1cccs1)C(=O)N 34a_100000211240_100000702505 [0,2,0,0,0,0|2,0,0]=4 3978 B13R1.1074 O=C([O-])C(F)(F)OCc1cccs1 34a_100000211240_100020612412 [0,2,0,0,0,0|1,0,1]=4 3979 B13R1.3383 C=C[C@H](NCc1cncs1)C(=O)O 269956a_100016992060_100015185245 [0,2,0,0,0,0|2,0,0]=4 3980 B13R1.3383 C=C[C@H](NCc1nccs1)C(=O)O 269956a_100016992060_100015184050 [0,2,0,0,0,0|2,0,0]=4 3981 B13R1.3383 CCC(NCc1cccs1)C(=O)N 2230a_100000211653_100000750255 [0,2,0,0,0,0|2,0,0]=4 3982 B13R1.3383 CCC(OCc1cccs1)C(=O)N 34a_100000211240_100000750255 [0,2,0,0,0,0|2,0,0]=4 3983 B13R1.3383 CC[C@@H](NCc1cncs1)C(=O)O 269956a_100000747097_100015185245 [0,2,0,0,0,0|2,0,0]=4 3984 B13R1.3383 CC[C@@H](NCc1nccs1)C(=O)O 269956a_100000747097_100015184050 [0,2,0,0,0,0|2,0,0]=4 3985 B13R1.3383 N#CC(NCc1cccs1)C(=O)N 270004a_100000039599_100000209959 [0,2,0,0,0,0|2,0,0]=4 3986 B13R1.3383 NC(=O)[C@H](CO)NCc1cccs1 270004a_100000729942_100000209959 [0,2,0,0,0,0|2,0,0]=4 3987 B13R1.3383 O=C(O)C(CO)NCc1cncs1 269956a_100000187304_100015185245 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.3383 O=C(O)C(CO)NCc1nccs1 269956a_100000187304_100015184050 [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.404 C#CCC(=O)CCCc1cccs1 1458a_100000184482_100000184674 [0,2,0,0,0,0|1,0,0]=3 3990 B13R1.404 C#CCC(=O)CCCc1cccs1 1458a_100011220946_100010992444 [0,2,0,0,0,0|1,0,0]=3 3991 B13R1.404 C#CCC(=O)NCCc1cccs1 1626a_100000203755_100011220946 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.404 C#CCC(=O)NCCc1cccs1 527a_100000203755_100011220946 [0,2,0,0,0,0|2,0,0]=4 3993 B13R1.404 C=CCC(=O)CCCc1cccs1 1458a_100000184482_100000210623 [0,2,0,0,0,0|1,0,0]=3 3994 B13R1.404 C=CCC(=O)CCCc1cccs1 1458a_100000210193_100010992444 [0,2,0,0,0,0|1,0,0]=3 3995 B13R1.404 C=CCC(=O)NCCc1cccs1 11a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3996 B13R1.404 C=CCC(=O)NCCc1cccs1 1626a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3997 B13R1.404 C=CCC(=O)NCCc1cccs1 240690a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3998 B13R1.404 C=CCC(=O)NCCc1cccs1 527a_100000203755_100000210193 [0,2,0,0,0,0|2,0,0]=4 3999 B13R1.404 C=COC(=O)CNCc1ccco1 2230a_100000185738_100000036128 [0,2,0,0,0,0|1,1,0]=4 4000 B13R1.404 C=COC(=O)CNCc1ccco1 34a_100000185738_100000036128 [0,2,0,0,0,0|1,1,0]=4 4001 B13R1.404 C=COC(=O)CNCc1cccs1 2230a_100000211653_100000036128 [0,2,0,0,0,0|1,0,0]=3 4002 B13R1.404 C=COC(=O)CNCc1cncs1 2230a_100016987365_100000036128 [0,2,0,0,0,0|2,0,0]=4 4003 B13R1.404 C=COC(=O)CNCc1nccs1 2230a_100000740555_100000036128 [0,2,0,0,0,0|2,0,0]=4 4004 B13R1.404 C=COC(=O)COCc1ccco1 34a_100000210059_100000036128 [0,2,0,0,0,0|1,1,0]=4 4005 B13R1.404 C=COC(=O)COCc1cccs1 34a_100000211240_100000036128 [0,2,0,0,0,0|1,0,0]=3 4006 B13R1.404 C=COC(=O)CSCc1cncs1 62a_100000036128_100015185245 [0,2,0,0,0,0|2,0,0]=4 4007 B13R1.404 C=COC(=O)CSCc1cncs1 62a_100015185245_100000036128 [0,2,0,0,0,0|2,0,0]=4 4008 B13R1.404 C=COC(=O)CSCc1nccs1 62a_100000036128_100015184050 [0,2,0,0,0,0|2,0,0]=4 4009 B13R1.404 C=COC(=O)CSCc1nccs1 62a_100015184050_100000036128 [0,2,0,0,0,0|2,0,0]=4 4010 B13R1.404 CC#CC(=O)CCCc1cccs1 1458a_100000763181_100010992444 [0,2,0,0,0,0|1,0,0]=3 4011 B13R1.404 CC=CC(=O)CCCc1cccs1 1458a_100000210699_100010992444 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.404 CC=CC(=O)NCCc1cccs1 11a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 4013 B13R1.404 CC=CC(=O)NCCc1cccs1 1626a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 4014 B13R1.404 CC=CC(=O)NCCc1cccs1 240690a_100000203755_100000210699 [0,2,0,0,0,0|2,0,0]=4 4015 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000184482_100000210303 [0,2,0,0,0,0|1,0,0]=3 4016 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000211992_100010992444 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.404 CCCC(=O)CNCc1cccs1 2230a_100000211653_100000747444 [0,2,0,0,0,0|2,0,0]=4 4018 B13R1.404 CCCC(=O)NCCc1cccs1 11a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 4019 B13R1.404 CCCC(=O)NCCc1cccs1 1626a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 4020 B13R1.404 CCCC(=O)NCCc1cccs1 240690a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 4021 B13R1.404 CCCC(=O)NCCc1cccs1 527a_100000203755_100000211992 [0,2,0,0,0,0|2,0,0]=4 4022 B13R1.404 CCNC(=O)CCCc1cccs1 11a_100015525214_100000184482 [0,2,0,0,0,0|1,0,0]=3 4023 B13R1.404 CCNC(=O)CCCc1cccs1 240690a_100015525214_100000184482 [0,2,0,0,0,0|1,0,0]=3 4024 B13R1.404 CCNC(=O)CCCc1cccs1 527a_100015525214_100000184482 [0,2,0,0,0,0|1,0,0]=3 4025 B13R1.404 CCNC(=O)CCSc1cccs1 62a_100000737597_100011215356 [0,2,0,0,0,0|2,0,0]=4 4026 B13R1.404 CCNC(=O)CCSc1cccs1 62a_100011215356_100000737597 [0,2,0,0,0,0|2,0,0]=4 4027 B13R1.404 CCNC(=O)CNCc1cccs1 2230a_100000211653_100000183381 [0,2,0,0,0,0|2,0,0]=4 4028 B13R1.404 CCNC(=O)CNCc1cccs1 270004a_100016988866_100000209959 [0,2,0,0,0,0|2,0,0]=4 4029 B13R1.404 CCNC(=O)COCc1cccs1 34a_100000211240_100000183381 [0,2,0,0,0,0|2,0,0]=4 4030 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 4031 B13R1.404 CCNC(=O)NCCc1cccs1 2708a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 4032 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 4033 B13R1.404 CCNC(=O)NCCc1cccs1 273464a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 4034 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100000203755_100015525214 [0,2,0,0,0,0|2,0,0]=4 4035 B13R1.404 CCNC(=O)NCCc1cccs1 512a_100015525214_100000203755 [0,2,0,0,0,0|2,0,0]=4 4036 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100000765890_100009814098 [0,2,0,0,0,0|1,1,0]=4 4037 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100009814098_100000765890 [0,2,0,0,0,0|1,1,0]=4 4038 B13R1.404 CCOC(=O)CCSc1cccs1 62a_100000765890_100011215356 [0,2,0,0,0,0|1,0,0]=3 4039 B13R1.404 CCOC(=O)CCSc1cccs1 62a_100011215356_100000765890 [0,2,0,0,0,0|1,0,0]=3 4040 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100000765890_100011934649 [0,2,0,0,0,0|2,0,0]=4 4041 B13R1.404 CCOC(=O)CCSc1cncs1 62a_100011934649_100000765890 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.404 CCOC(=O)CCSc1nccs1 62a_100000211983_100000765890 [0,2,0,0,0,0|2,0,0]=4 4043 B13R1.404 CCOC(=O)CCSc1nccs1 62a_100000765890_100000211983 [0,2,0,0,0,0|2,0,0]=4 4044 B13R1.404 CCOC(=O)CNCc1ccco1 2230a_100000185738_100000188475 [0,2,0,0,0,0|1,1,0]=4 4045 B13R1.404 CCOC(=O)CNCc1ccco1 34a_100000185738_100000188475 [0,2,0,0,0,0|1,1,0]=4 4046 B13R1.404 CCOC(=O)CNCc1cccs1 2230a_100000211653_100000188475 [0,2,0,0,0,0|1,0,0]=3 4047 B13R1.404 CCOC(=O)CNCc1cncs1 2230a_100016987365_100000188475 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.404 CCOC(=O)CNCc1nccs1 2230a_100000740555_100000188475 [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.404 CCOC(=O)COCc1ccco1 34a_100000210059_100000188475 [0,2,0,0,0,0|1,1,0]=4 4050 B13R1.404 CCOC(=O)COCc1cccs1 34a_100000211240_100000188475 [0,2,0,0,0,0|1,0,0]=3 4051 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100000188475_100015185245 [0,2,0,0,0,0|2,0,0]=4 4052 B13R1.404 CCOC(=O)CSCc1cncs1 62a_100015185245_100000188475 [0,2,0,0,0,0|2,0,0]=4 4053 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100000188475_100015184050 [0,2,0,0,0,0|2,0,0]=4 4054 B13R1.404 CCOC(=O)CSCc1nccs1 62a_100015184050_100000188475 [0,2,0,0,0,0|2,0,0]=4 4055 B13R1.404 CCOC(=O)OCSc1cccs1 62a_100011215356_100000075025 [0,2,0,0,0,0|2,0,0]=4 4056 B13R1.404 CN(CCO)CCCc1cccs1 2230a_100000210263_100010992444 [0,2,0,0,0,0|2,0,0]=4 4057 B13R1.404 CN(CCO)CCCc1cccs1 269982a_100000210263_100010992444 [0,2,0,0,0,0|2,0,0]=4 4058 B13R1.404 CNCC(=O)NCCc1cccs1 2230a_106832991635_100000198571 [0,2,0,0,0,0|2,0,0]=4 4059 B13R1.404 CNCC(=O)NCCc1cccs1 34a_100102657272_100000198571 [0,2,0,0,0,0|2,0,0]=4 4060 B13R1.404 CNCC(=O)NCCc1cccs1 7a_106832991635_100000198571 [0,2,0,0,0,0|2,0,0]=4 4061 B13R1.404 CNNC(=O)CCCc1cccs1 22a_100016993582_100000184482 [0,2,0,0,0,0|1,0,0]=3 4062 B13R1.404 CNNC(=O)NCCc1cccs1 273464a_100000203755_100016993582 [0,2,0,0,0,0|2,0,0]=4 4063 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100000203755_100016993582 [0,2,0,0,0,0|2,0,0]=4 4064 B13R1.404 CNNC(=O)NCCc1cccs1 512a_100016993582_100000203755 [0,2,0,0,0,0|2,0,0]=4 4065 B13R1.404 COCC(=O)CCCc1cccs1 1458a_100000210968_100010992444 [0,2,0,0,0,0|0,0,0]=2 4066 B13R1.404 COCC(=O)CCCn1cccc1 1458a_100000210968_200009814367 [0,2,0,0,0,0|2,0,0]=4 4067 B13R1.404 COCC(=O)CCCn1cccn1 1458a_100000210968_100000739983 [0,2,0,0,0,0|2,0,0]=4 4068 B13R1.404 COCC(=O)NCCc1ccco1 11a_100000694680_100000210968 [0,2,0,0,0,0|1,1,0]=4 4069 B13R1.404 COCC(=O)NCCc1ccco1 1626a_100000694680_100000210968 [0,2,0,0,0,0|1,1,0]=4 4070 B13R1.404 COCC(=O)NCCc1ccco1 240690a_100000694680_100000210968 [0,2,0,0,0,0|1,1,0]=4 4071 B13R1.404 COCC(=O)NCCc1ccco1 527a_100000694680_100000210968 [0,2,0,0,0,0|1,1,0]=4 4072 B13R1.404 COCC(=O)NCCc1cccs1 11a_100000203755_100000210968 [0,2,0,0,0,0|1,0,0]=3 4073 B13R1.404 COCC(=O)NCCc1cccs1 1626a_100000203755_100000210968 [0,2,0,0,0,0|1,0,0]=3 4074 B13R1.404 COCC(=O)NCCc1cccs1 240690a_100000203755_100000210968 [0,2,0,0,0,0|1,0,0]=3 4075 B13R1.404 COCC(=O)NCCc1cccs1 34a_100138415774_100000198571 [0,2,0,0,0,0|1,0,0]=3 4076 B13R1.404 COCC(=O)NCCc1cccs1 527a_100000203755_100000210968 [0,2,0,0,0,0|1,0,0]=3 4077 B13R1.404 COCC(=O)NCCc1cncs1 11a_100016991637_100000210968 [0,2,0,0,0,0|2,0,0]=4 4078 B13R1.404 COCC(=O)NCCc1cncs1 1626a_100016991637_100000210968 [0,2,0,0,0,0|2,0,0]=4 4079 B13R1.404 COCC(=O)NCCc1cncs1 240690a_100016991637_100000210968 [0,2,0,0,0,0|2,0,0]=4 4080 B13R1.404 COCC(=O)NCCc1cncs1 527a_100016991637_100000210968 [0,2,0,0,0,0|2,0,0]=4 4081 B13R1.404 COCC(=O)NCCc1nccs1 11a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 4082 B13R1.404 COCC(=O)NCCc1nccs1 1626a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 4083 B13R1.404 COCC(=O)NCCc1nccs1 240690a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 4084 B13R1.404 COCC(=O)NCCc1nccs1 527a_100015186391_100000210968 [0,2,0,0,0,0|2,0,0]=4 4085 B13R1.404 CSCC(=O)CCCc1cccs1 1458a_100000184570_100010992444 [0,2,0,0,0,0|0,1,0]=3 4086 B13R1.404 CSCC(=O)NCCc1cccs1 11a_100000203755_100000184570 [0,2,0,0,0,0|1,1,0]=4 4087 B13R1.404 CSCC(=O)NCCc1cccs1 1626a_100000203755_100000184570 [0,2,0,0,0,0|1,1,0]=4 4088 B13R1.404 CSCC(=O)NCCc1cccs1 240690a_100000203755_100000184570 [0,2,0,0,0,0|1,1,0]=4 4089 B13R1.404 CSCC(=O)NCCc1cccs1 527a_100000203755_100000184570 [0,2,0,0,0,0|1,1,0]=4 4090 B13R1.404 CSCC(=O)NCCc1cccs1 62a_100000198571_200000210301 [0,2,0,0,0,0|1,1,0]=4 4091 B13R1.404 CSCC(=O)NCCc1cccs1 62a_200000210301_100000198571 [0,2,0,0,0,0|1,1,0]=4 4092 B13R1.404 N#CCC(=O)CCCc1cccs1 1458a_100000184482_100011214920 [0,2,0,0,0,0|1,0,0]=3 4093 B13R1.404 N#CCC(=O)CCCc1cccs1 1458a_100051588842_100010992444 [0,2,0,0,0,0|1,0,0]=3 4094 B13R1.404 N#CCC(=O)NCCc1cccs1 1626a_100000203755_100051588842 [0,2,0,0,0,0|2,0,0]=4 4095 B13R1.404 N#CCC(=O)NCCc1cccs1 240690a_100000203755_100051588842 [0,2,0,0,0,0|2,0,0]=4 4096 B13R1.404 O=C(C=CBr)CCCc1cccs1 1458a_100016273825_100010992444 [0,2,0,0,0,0|1,0,0]=3 4097 B13R1.404 O=C(C=CBr)NCCc1cccs1 1626a_100000203755_100016273825 [0,2,0,0,0,0|2,0,0]=4 4098 B13R1.404 O=C(C=CBr)NCCc1cccs1 240690a_100000203755_100016273825 [0,2,0,0,0,0|2,0,0]=4 4099 B13R1.404 O=C(C=CCl)CCCc1cccs1 1458a_200016279998_100010992444 [0,2,0,0,0,0|1,0,0]=3 4100 B13R1.404 O=C(C=CCl)NCCc1cccs1 11a_100000203755_200016279998 [0,2,0,0,0,0|2,0,0]=4 4101 B13R1.404 O=C(C=CCl)NCCc1cccs1 1626a_100000203755_200016279998 [0,2,0,0,0,0|2,0,0]=4 4102 B13R1.404 O=C(C=CCl)NCCc1cccs1 240690a_100000203755_200016279998 [0,2,0,0,0,0|2,0,0]=4 4103 B13R1.404 O=C(C=CI)CCCc1cccs1 1458a_100016256311_100010992444 [0,2,0,0,0,0|1,0,0]=3 4104 B13R1.404 O=C(C=CI)NCCc1cccs1 1626a_100000203755_100016256311 [0,2,0,0,0,0|2,0,0]=4 4105 B13R1.404 O=C(CCF)CCCc1cccs1 1458a_100000184482_100011217306 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100000184482_100000211926 [0,2,0,0,0,0|0,0,0]=2 4107 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100011216618_100010992444 [0,2,0,0,0,0|0,0,0]=2 4108 B13R1.404 O=C(CCO)CCCn1cccc1 1458a_100000691410_100000211926 [0,2,0,0,0,0|2,0,0]=4 4109 B13R1.404 O=C(CCO)CCCn1cccc1 1458a_100011216618_200009814367 [0,2,0,0,0,0|2,0,0]=4 4110 B13R1.404 O=C(CCO)CCCn1cccn1 1458a_100000742828_100000211926 [0,2,0,0,0,0|2,0,0]=4 4111 B13R1.404 O=C(CCO)CCCn1cccn1 1458a_100011216618_100000739983 [0,2,0,0,0,0|2,0,0]=4 4112 B13R1.404 O=C(CCO)NCCc1ccco1 240690a_100000694680_100011216618 [0,2,0,0,0,0|1,1,0]=4 4113 B13R1.404 O=C(CCO)NCCc1cccs1 240690a_100000203755_100011216618 [0,2,0,0,0,0|1,0,0]=3 4114 B13R1.404 O=C(CCO)NCCc1cncs1 240690a_100016991637_100011216618 [0,2,0,0,0,0|2,0,0]=4 4115 B13R1.404 O=C(CCO)NCCc1nccs1 240690a_100015186391_100011216618 [0,2,0,0,0,0|2,0,0]=4 4116 B13R1.404 O=C(CNCc1ccco1)NCO 2230a_100000185738_100000185155 [0,2,0,0,0,0|1,1,0]=4 4117 B13R1.404 O=C(CNCc1ccco1)NCO 34a_100000185738_100000185155 [0,2,0,0,0,0|1,1,0]=4 4118 B13R1.404 O=C(CNCc1cccs1)NCO 2230a_100000211653_100000185155 [0,2,0,0,0,0|1,0,0]=3 4119 B13R1.404 O=C(CNCc1cncs1)NCO 2230a_100016987365_100000185155 [0,2,0,0,0,0|2,0,0]=4 4120 B13R1.404 O=C(CNCc1nccs1)NCO 2230a_100000740555_100000185155 [0,2,0,0,0,0|2,0,0]=4 4121 B13R1.404 O=C(COCc1ccco1)NCO 34a_100000210059_100000185155 [0,2,0,0,0,0|1,1,0]=4 4122 B13R1.404 O=C(COCc1cccs1)NCO 34a_100000211240_100000185155 [0,2,0,0,0,0|1,0,0]=3 4123 B13R1.404 O=C(CSCc1cncs1)NCO 62a_100000185155_100015185245 [0,2,0,0,0,0|2,0,0]=4 4124 B13R1.404 O=C(CSCc1cncs1)NCO 62a_100015185245_100000185155 [0,2,0,0,0,0|2,0,0]=4 4125 B13R1.404 O=C(CSCc1nccs1)NCO 62a_100000185155_100015184050 [0,2,0,0,0,0|2,0,0]=4 4126 B13R1.404 O=C(CSCc1nccs1)NCO 62a_100015184050_100000185155 [0,2,0,0,0,0|2,0,0]=4 4127 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_100000198571_200025704644 [0,2,0,0,0,0|1,1,0]=4 4128 B13R1.404 [13CH3]SCC(=O)NCCc1cccs1 62a_200025704644_100000198571 [0,2,0,0,0,0|1,1,0]=4 4129 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,0,1,1,0,0|0,1,1]=4 4130 B11R2.191 CNC1CCc2c1ccs2 269862a_106832991636_100000011361 [1,0,0,1,0,0|2,0,0]=4 4131 B11R2.385 c1csc(c1)SCC2CO2 62a_100011215356_102125554688 [1,0,0,1,0,0|1,0,1]=4 4132 B11R2.385 c1csc(c1)SCC2CO2 62a_102125554688_100011215356 [1,0,0,1,0,0|1,0,1]=4 4133 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100000745022_100011215356 [1,0,0,1,0,0|1,0,1]=4 4134 B11R2.385 c1csc(c1)SC[C@@H]2CO2 62a_100011215356_100000745022 [1,0,0,1,0,0|1,0,1]=4 4135 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,1|2,0,0]=4 4136 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,1|2,0,0]=4 4137 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,0,0,1,0,1|2,0,0]=4 4138 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,1|2,0,0]=4 4139 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,0,0,1,0,1|2,0,0]=4 4140 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,1|2,0,0]=4 4141 B13R2.13 O=C1C=C(CCC1)c2ccco2 271570a_100000723966_100009814098 [0,0,0,1,0,1|1,1,0]=4 4142 B13R2.13 O=C1C=C(CCC1)c2cccs2 271570a_100000723966_100011215356 [0,0,0,1,0,1|1,0,0]=3 4143 B13R2.13 O=C1C=C(CCC1)c2cncs2 271570a_100000723966_100011934649 [0,0,0,1,0,1|2,0,0]=4 4144 B13R2.13 O=C1C=C(CCC1)c2nccs2 271570a_100000723966_100000211983 [0,0,0,1,0,1|2,0,0]=4 4145 B13R2.142 O=C1OCC(O1)Sc2ccco2 62a_100009814098_100000032252 [0,0,0,1,0,1|1,1,0]=4 4146 B13R2.142 O=C1OCC(O1)Sc2cccs2 62a_100011215356_100000032252 [0,0,0,1,0,1|1,0,0]=3 4147 B13R2.142 O=C1OCC(O1)Sc2cncs2 62a_100011934649_100000032252 [0,0,0,1,0,1|2,0,0]=4 4148 B13R2.142 O=C1OCC(O1)Sc2nccs2 62a_100000211983_100000032252 [0,0,0,1,0,1|2,0,0]=4 4149 B13R2.142 OC1CCN(C1)Cc2cccs2 270004a_100011215560_100000209959 [0,0,0,1,0,1|1,0,1]=4 4150 B13R2.241 C=C1CC(C1)NCc2cccs2 207a_100132301982_100000209959 [0,0,0,1,0,1|2,0,0]=4 4151 B13R2.241 C=C1CC(C1)NCc2cccs2 270004a_100132301982_100000209959 [0,0,0,1,0,1|2,0,0]=4 4152 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009814098_100009874392 [0,0,0,1,0,1|1,1,0]=4 4153 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009874392_100009814098 [0,0,0,1,0,1|1,1,0]=4 4154 B13R2.241 O=C1CC(C1)CSc2cccs2 62a_100009874392_100011215356 [0,0,0,1,0,1|1,0,0]=3 4155 B13R2.241 O=C1CC(C1)CSc2cccs2 62a_100011215356_100009874392 [0,0,0,1,0,1|1,0,0]=3 4156 B13R2.241 O=C1CC(C1)CSc2cncs2 62a_100009874392_100011934649 [0,0,0,1,0,1|2,0,0]=4 4157 B13R2.241 O=C1CC(C1)CSc2cncs2 62a_100011934649_100009874392 [0,0,0,1,0,1|2,0,0]=4 4158 B13R2.241 O=C1CC(C1)CSc2nccs2 62a_100000211983_100009874392 [0,0,0,1,0,1|2,0,0]=4 4159 B13R2.241 O=C1CC(C1)CSc2nccs2 62a_100009874392_100000211983 [0,0,0,1,0,1|2,0,0]=4 4160 B13R2.241 O=C1CC(C1)SCc2cncs2 62a_100009894365_100015185245 [0,0,0,1,0,1|2,0,0]=4 4161 B13R2.241 O=C1CC(C1)SCc2nccs2 62a_100009894365_100015184050 [0,0,0,1,0,1|2,0,0]=4 4162 B13R2.241 OC1CN(C1)CCc2cccs2 269982a_100000749847_100000748579 [0,0,0,1,0,1|1,0,1]=4 4163 B13R2.241 O[C@H]1C[C@@H](C1)NCc2cccs2 207a_100020629032_100000209959 [0,0,0,1,0,1|1,0,1]=4 4164 B13R2.241 O[C@H]1C[C@@H](C1)NCc2cccs2 270004a_100020629032_100000209959 [0,0,0,1,0,1|1,0,1]=4 4165 B13R2.2380 c1csc(c1)CCNCC2CO2 2230a_100000203755_100011216344 [0,0,0,1,0,1|1,0,1]=4 4166 B13R2.2380 c1csc(c1)CCNCC2CO2 34a_100000203755_102125554688 [0,0,0,1,0,1|1,0,1]=4 4167 B13R2.2380 c1csc(c1)CCOCC2CO2 34a_100011216825_102125554688 [0,0,0,1,0,1|1,0,1]=4 4168 B13R2.2380 c1csc(c1)CCOCC2CO2 7a_100011216825_102125554688 [0,0,0,1,0,1|1,0,1]=4 4169 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 34a_100000757423_100000748579 [0,0,0,1,0,1|1,0,1]=4 4170 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 7a_100011216825_100000745022 [0,0,0,1,0,1|1,0,1]=4 4171 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_100000748579_102125554688 [0,0,0,1,0,1|1,0,1]=4 4172 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_102125554688_100000748579 [0,0,0,1,0,1|1,0,1]=4 4173 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000745022_100000748579 [0,0,0,1,0,1|1,0,1]=4 4174 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000748579_100000745022 [0,0,0,1,0,1|1,0,1]=4 4175 B13R2.2380 c1csc(c1)CNCCC2CO2 2230a_100000211653_100000732470 [0,0,0,1,0,1|1,0,1]=4 4176 B13R2.2380 c1csc(c1)COCCC2CO2 34a_100000211240_100000732470 [0,0,0,1,0,1|1,0,1]=4 4177 B13R2.2380 c1csc(c1)SCCCC2CO2 62a_100000733510_100011215356 [0,0,0,1,0,1|1,0,1]=4 4178 B13R2.2380 c1csc(c1)SCCCC2CO2 62a_100011215356_100000733510 [0,0,0,1,0,1|1,0,1]=4 4179 B13R2.11 Cc1ccc(s1)C2=CC(=O)CC2 271570a_100010737933_100000761539 [0,1,0,1,0,0|1,0,1]=4 4180 B13R2.11 Cc1csc(c1)C2=CC(=O)CC2 271570a_100010737933_100009876951 [0,1,0,1,0,0|1,0,1]=4 4181 B13R2.11 O=C1C=C(CC1)c2ccc(s2)Br 271570a_100010737933_100010197418 [0,1,0,1,0,0|1,0,1]=4 4182 B13R2.2965 Cc1ccc(s1)SC2CC(=O)C2 62a_100009894365_100000031368 [0,1,0,1,0,0|2,0,0]=4 4183 B13R2.2965 Cc1csc(c1)SC2CC(=O)C2 62a_100009894365_100009876951 [0,1,0,1,0,0|2,0,0]=4 4184 B13R2.2965 O=C1CC(C1)Sc2ccc(s2)Br 62a_100009894365_100010197418 [0,1,0,1,0,0|2,0,0]=4 4185 B13R2.144 Cc1ccsc1C2=CC(=O)CC2 271570a_100010737933_100000742657 [0,1,0,1,0,0|1,0,1]=4 4186 B13R2.144 O=C1C=C(CC1)c2sccc2Br 271570a_100010737933_100012361411 [0,1,0,1,0,0|1,0,1]=4 4187 B13R2.361 Cc1ccsc1SC2CC(=O)C2 62a_100009894365_100010247149 [0,1,0,1,0,0|2,0,0]=4 4188 B13R2.361 O=C1CC(C1)Sc2sccc2Br 62a_100009894365_100012361411 [0,1,0,1,0,0|2,0,0]=4 4189 B13R2.430 CC(=O)N1CCc2sccc2C1 11a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 4190 B13R2.430 CC(=O)N1CCc2sccc2C1 1626a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 4191 B13R2.430 CC(=O)N1CCc2sccc2C1 240690a_100015185043_100015343762 [0,1,0,1,0,0|2,0,0]=4 4192 B13R2.430 CC(=O)N1CCc2sccc2C1 527a_100015185043_100103153847 [0,1,0,1,0,0|2,0,0]=4 4193 B13R2.158 O=C1CCC1OCc2cccs2 34a_100000211240_100009892977 [0,1,0,1,0,0|2,0,0]=4 4194 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,2,0|2,0,0]=4 4195 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,2,0|1,1,0]=4 4196 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,2,0|1,0,0]=3 4197 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,2,0|2,0,0]=4 4198 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,2,0|2,0,0]=4 4199 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,2,0|2,0,0]=4 4200 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,2,0|1,1,0]=4 4201 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,2,0|1,0,0]=3 4202 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,1|2,0,0]=4 4203 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,1|2,0,0]=4 4204 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [1,0,0,0,0,1|2,0,0]=4 4205 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,1|2,0,0]=4 4206 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,1|2,0,0]=4 4207 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,1|2,0,0]=4 4208 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,1|2,0,0]=4 4209 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,1|2,0,0]=4 4210 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,1|2,0,0]=4 4211 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,1|2,0,0]=4 4212 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,1|2,0,0]=4 4213 B11R1.28 O=CCSCc1cccnn1 62a_100016990269_200015260668 [1,0,0,0,0,1|2,0,0]=4 4214 B11R1.28 O=CCSCc1cccnn1 62a_200015260668_100016990269 [1,0,0,0,0,1|2,0,0]=4 4215 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,1|2,0,0]=4 4216 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,1|2,0,0]=4 4217 B11R1.28 O=CCSCc1cnccn1 62a_100016995436_200015260668 [1,0,0,0,0,1|2,0,0]=4 4218 B11R1.28 O=CCSCc1cnccn1 62a_200015260668_100016995436 [1,0,0,0,0,1|2,0,0]=4 4219 B11R1.28 O=CCSCc1ncccn1 62a_100000703007_200015260668 [1,0,0,0,0,1|2,0,0]=4 4220 B11R1.28 O=CCSCc1ncccn1 62a_200015260668_100000703007 [1,0,0,0,0,1|2,0,0]=4 4221 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,2|2,0,0]=4 4222 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,2|2,0,0]=4 4223 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,0,0,0,0,2|2,0,0]=4 4224 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,2|2,0,0]=4 4225 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,2|2,0,0]=4 4226 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,2|2,0,0]=4 4227 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,2|2,0,0]=4 4228 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,2|2,0,0]=4 4229 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,2|2,0,0]=4 4230 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,2|2,0,0]=4 4231 B13R1.337 CC(=O)CCCOc1ccncc1 34a_100000212176_100000685027 [0,0,0,0,0,2|2,0,0]=4 4232 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,2|2,0,0]=4 4233 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,2|2,0,0]=4 4234 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,2|2,0,0]=4 4235 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,2|2,0,0]=4 4236 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011215641_100011216584 [0,0,0,0,0,2|2,0,0]=4 4237 B13R1.337 CC(=O)CCCSc1ccccn1 62a_100011216584_100011215641 [0,0,0,0,0,2|2,0,0]=4 4238 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100000210063_100011215641 [0,0,0,0,0,2|2,0,0]=4 4239 B13R1.337 CC(=O)CCCSc1cccnc1 62a_100011215641_100000210063 [0,0,0,0,0,2|2,0,0]=4 4240 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100011215641_100016991348 [0,0,0,0,0,2|2,0,0]=4 4241 B13R1.337 CC(=O)CCCSc1cccnn1 62a_100016991348_100011215641 [0,0,0,0,0,2|2,0,0]=4 4242 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100000728582_100011215641 [0,0,0,0,0,2|2,0,0]=4 4243 B13R1.337 CC(=O)CCCSc1ccncc1 62a_100011215641_100000728582 [0,0,0,0,0,2|2,0,0]=4 4244 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100000703185_100011215641 [0,0,0,0,0,2|2,0,0]=4 4245 B13R1.337 CC(=O)CCCSc1ccncn1 62a_100011215641_100000703185 [0,0,0,0,0,2|2,0,0]=4 4246 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100000211759_100011215641 [0,0,0,0,0,2|2,0,0]=4 4247 B13R1.337 CC(=O)CCCSc1cnccn1 62a_100011215641_100000211759 [0,0,0,0,0,2|2,0,0]=4 4248 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100000211032_100011215641 [0,0,0,0,0,2|2,0,0]=4 4249 B13R1.337 CC(=O)CCCSc1ncccn1 62a_100011215641_100000211032 [0,0,0,0,0,2|2,0,0]=4 4250 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,2|2,0,0]=4 4251 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,2|2,0,0]=4 4252 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,2|2,0,0]=4 4253 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,2|2,0,0]=4 4254 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,2|2,0,0]=4 4255 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 4256 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 4257 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,2|2,0,0]=4 4258 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,2|2,0,0]=4 4259 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [0,0,0,0,0,2|2,0,0]=4 4260 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [0,0,0,0,0,2|2,0,0]=4 4261 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [0,0,0,0,0,2|2,0,0]=4 4262 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [0,0,0,0,0,2|2,0,0]=4 4263 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [0,0,0,0,0,2|2,0,0]=4 4264 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [0,0,0,0,0,2|2,0,0]=4 4265 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [0,0,0,0,0,2|2,0,0]=4 4266 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,2|2,0,0]=4 4267 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,2|2,0,0]=4 4268 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,2|2,0,0]=4 4269 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,2|2,0,0]=4 4270 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [0,0,0,0,0,2|2,0,0]=4 4271 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [0,0,0,0,0,2|2,0,0]=4 4272 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [0,0,0,0,0,2|2,0,0]=4 4273 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [0,0,0,0,0,2|2,0,0]=4 4274 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [0,0,0,0,0,2|2,0,0]=4 4275 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [0,0,0,0,0,2|2,0,0]=4 4276 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [0,0,0,0,0,2|2,0,0]=4 4277 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [0,0,0,0,0,2|2,0,0]=4 4278 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [0,0,0,0,0,2|2,0,0]=4 4279 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [0,0,0,0,0,2|2,0,0]=4 4280 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [0,0,0,0,0,2|2,0,0]=4 4281 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [0,0,0,0,0,2|2,0,0]=4 4282 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [0,0,0,0,0,2|2,0,0]=4 4283 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,2|2,0,0]=4 4284 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 4285 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 4286 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 4287 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,2|2,0,0]=4 4288 B13R1.337 CC(=O)NCCCc1ccccn1 11a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 4289 B13R1.337 CC(=O)NCCCc1ccccn1 1626a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 4290 B13R1.337 CC(=O)NCCCc1ccccn1 240690a_100000689020_100015343762 [0,0,0,0,0,2|2,0,0]=4 4291 B13R1.337 CC(=O)NCCCc1ccccn1 527a_100000689020_100103153847 [0,0,0,0,0,2|2,0,0]=4 4292 B13R1.337 CC(=O)NCCCc1cccnc1 11a_100011532358_100015343762 [0,0,0,0,0,2|2,0,0]=4 4293 B13R1.337 CC(=O)NCCCc1cccnc1 240690a_100011532358_100015343762 [0,0,0,0,0,2|2,0,0]=4 4294 B13R1.337 CC(=O)NCCCc1ccncc1 1626a_100011275580_100015343762 [0,0,0,0,0,2|2,0,0]=4 4295 B13R1.337 CC(=O)NCCCc1ccncc1 240690a_100011275580_100015343762 [0,0,0,0,0,2|2,0,0]=4 4296 B13R1.337 CC(=O)NCCCc1ccncc1 527a_100011275580_100103153847 [0,0,0,0,0,2|2,0,0]=4 4297 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,0,0,0,2|2,0,0]=4 4298 B13R1.337 NC(=O)CCCNc1cccnn1 27a_100000739312_100016991348 [0,0,0,0,0,2|2,0,0]=4 4299 B13R1.337 NC(=O)CCCNc1ccncn1 27a_100000739312_100000703185 [0,0,0,0,0,2|2,0,0]=4 4300 B13R1.337 NC(=O)CCCNc1cnccn1 27a_100000739312_100000211759 [0,0,0,0,0,2|2,0,0]=4 4301 B13R1.337 NC(=O)CCCNc1ncccn1 27a_100000739312_100000211032 [0,0,0,0,0,2|2,0,0]=4 4302 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,0,0,0,2|2,0,0]=4 4303 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,0,0,0,2|2,0,0]=4 4304 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,0,0,0,0,2|2,0,0]=4 4305 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,0,0,0,0,2|2,0,0]=4 4306 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [0,0,0,0,0,2|2,0,0]=4 4307 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,0,0,0,2|2,0,0]=4 4308 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,0,0,0,2|2,0,0]=4 4309 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100011216584_100102525003 [0,0,0,0,0,2|2,0,0]=4 4310 B13R1.337 NC(=O)CCCSc1ccccn1 62a_100102525003_100011216584 [0,0,0,0,0,2|2,0,0]=4 4311 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100000210063_100102525003 [0,0,0,0,0,2|2,0,0]=4 4312 B13R1.337 NC(=O)CCCSc1cccnc1 62a_100102525003_100000210063 [0,0,0,0,0,2|2,0,0]=4 4313 B13R1.337 NC(=O)CCCSc1cccnn1 62a_100016991348_100102525003 [0,0,0,0,0,2|2,0,0]=4 4314 B13R1.337 NC(=O)CCCSc1cccnn1 62a_100102525003_100016991348 [0,0,0,0,0,2|2,0,0]=4 4315 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100000728582_100102525003 [0,0,0,0,0,2|2,0,0]=4 4316 B13R1.337 NC(=O)CCCSc1ccncc1 62a_100102525003_100000728582 [0,0,0,0,0,2|2,0,0]=4 4317 B13R1.337 NC(=O)CCCSc1ccncn1 62a_100000703185_100102525003 [0,0,0,0,0,2|2,0,0]=4 4318 B13R1.337 NC(=O)CCCSc1ccncn1 62a_100102525003_100000703185 [0,0,0,0,0,2|2,0,0]=4 4319 B13R1.337 NC(=O)CCCSc1cnccn1 62a_100000211759_100102525003 [0,0,0,0,0,2|2,0,0]=4 4320 B13R1.337 NC(=O)CCCSc1cnccn1 62a_100102525003_100000211759 [0,0,0,0,0,2|2,0,0]=4 4321 B13R1.337 NC(=O)CCCSc1ncccn1 62a_100000211032_100102525003 [0,0,0,0,0,2|2,0,0]=4 4322 B13R1.337 NC(=O)CCCSc1ncccn1 62a_100102525003_100000211032 [0,0,0,0,0,2|2,0,0]=4 4323 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,0,0,0,2|2,0,0]=4 4324 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,0,0,0,2|2,0,0]=4 4325 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,0,0,0,2|2,0,0]=4 4326 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [0,0,0,0,0,2|2,0,0]=4 4327 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [0,0,0,0,0,2|2,0,0]=4 4328 B13R1.337 NC(=O)CCNCc1cccnn1 2230a_100159270163_100000744528 [0,0,0,0,0,2|2,0,0]=4 4329 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [0,0,0,0,0,2|2,0,0]=4 4330 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,0,0,0,2|2,0,0]=4 4331 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,0,0,0,2|2,0,0]=4 4332 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,0,0,0,2|2,0,0]=4 4333 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,0,0,0,2|2,0,0]=4 4334 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,0,0,0,0,2|2,0,0]=4 4335 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,0,0,0,0,2|2,0,0]=4 4336 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,0,0,0,0,2|2,0,0]=4 4337 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,0,0,0,0,2|2,0,0]=4 4338 B13R1.337 NC(=O)CCOCc1cccnn1 34a_100000757172_100016990269 [0,0,0,0,0,2|2,0,0]=4 4339 B13R1.337 NC(=O)CCOCc1cccnn1 7a_100000757172_100016990269 [0,0,0,0,0,2|2,0,0]=4 4340 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [0,0,0,0,0,2|2,0,0]=4 4341 B13R1.337 NC(=O)CCOCc1cnccn1 34a_100000757172_100016995436 [0,0,0,0,0,2|2,0,0]=4 4342 B13R1.337 NC(=O)CCOCc1cnccn1 7a_100000757172_100016995436 [0,0,0,0,0,2|2,0,0]=4 4343 B13R1.337 NC(=O)CCOCc1ncccn1 34a_100000757172_100000703007 [0,0,0,0,0,2|2,0,0]=4 4344 B13R1.337 NC(=O)CCOCc1ncccn1 7a_100000757172_100000703007 [0,0,0,0,0,2|2,0,0]=4 4345 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,0,0,0,2|2,0,0]=4 4346 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,0,0,0,2|2,0,0]=4 4347 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [0,0,0,0,0,2|2,0,0]=4 4348 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [0,0,0,0,0,2|2,0,0]=4 4349 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [0,0,0,0,0,2|2,0,0]=4 4350 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [0,0,0,0,0,2|2,0,0]=4 4351 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100000744528_100016990269 [0,0,0,0,0,2|2,0,0]=4 4352 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100016990269_100000744528 [0,0,0,0,0,2|2,0,0]=4 4353 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [0,0,0,0,0,2|2,0,0]=4 4354 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [0,0,0,0,0,2|2,0,0]=4 4355 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100000744528_100016995436 [0,0,0,0,0,2|2,0,0]=4 4356 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100016995436_100000744528 [0,0,0,0,0,2|2,0,0]=4 4357 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000703007_100000744528 [0,0,0,0,0,2|2,0,0]=4 4358 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000744528_100000703007 [0,0,0,0,0,2|2,0,0]=4 4359 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,0,0,0,2|2,0,0]=4 4360 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,0,0,0,2|2,0,0]=4 4361 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,0,0,0,2|2,0,0]=4 4362 B13R1.337 NC(=O)CNCCc1ccccn1 2230a_100000711301_100015183660 [0,0,0,0,0,2|2,0,0]=4 4363 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000711301_200011713674 [0,0,0,0,0,2|2,0,0]=4 4364 B13R1.337 NC(=O)CNCCc1cccnc1 2230a_100000736294_100000747473 [0,0,0,0,0,2|2,0,0]=4 4365 B13R1.337 NC(=O)CNCCc1ccncc1 2230a_100000711301_100000723409 [0,0,0,0,0,2|2,0,0]=4 4366 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,0,0,0,2|2,0,0]=4 4367 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,0,0,0,2|2,0,0]=4 4368 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,0,0,0,0,2|2,0,0]=4 4369 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,0,0,0,0,2|2,0,0]=4 4370 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,0,0,0,0,2|2,0,0]=4 4371 B13R1.337 NC(=O)COCCc1cnccn1 34a_100011349526_100000187820 [0,0,0,0,0,2|2,0,0]=4 4372 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,0,0,0,2|2,0,0]=4 4373 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,0,0,0,2|2,0,0]=4 4374 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100000747473_100015183660 [0,0,0,0,0,2|2,0,0]=4 4375 B13R1.337 NC(=O)CSCCc1ccccn1 62a_100015183660_100000747473 [0,0,0,0,0,2|2,0,0]=4 4376 B13R1.337 NC(=O)CSCCc1cccnc1 62a_100000747473_200011713674 [0,0,0,0,0,2|2,0,0]=4 4377 B13R1.337 NC(=O)CSCCc1cccnc1 62a_200011713674_100000747473 [0,0,0,0,0,2|2,0,0]=4 4378 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000723409_100000747473 [0,0,0,0,0,2|2,0,0]=4 4379 B13R1.337 NC(=O)CSCCc1ccncc1 62a_100000747473_100000723409 [0,0,0,0,0,2|2,0,0]=4 4380 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,2|1,0,0]=3 4381 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,0,0,0,0,2|1,0,0]=3 4382 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,0,0,0,0,2|1,0,0]=3 4383 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [0,0,0,0,0,2|1,0,0]=3 4384 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,2|2,0,0]=4 4385 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,2|2,0,0]=4 4386 B13R1.337 O=C(O)CONCc1ccccn1 269956a_100000106656_100000721315 [0,0,0,0,0,2|2,0,0]=4 4387 B13R1.337 O=C(O)CONCc1cccnc1 269956a_100000106656_100000733263 [0,0,0,0,0,2|2,0,0]=4 4388 B13R1.337 O=C(O)CONCc1cccnn1 269956a_100000106656_100016990269 [0,0,0,0,0,2|2,0,0]=4 4389 B13R1.337 O=C(O)CONCc1ccncc1 269956a_100000106656_100015193705 [0,0,0,0,0,2|2,0,0]=4 4390 B13R1.337 O=C(O)CONCc1cnccn1 269956a_100000106656_100016995436 [0,0,0,0,0,2|2,0,0]=4 4391 B13R1.337 O=C(O)CONCc1ncccn1 269956a_100000106656_100000703007 [0,0,0,0,0,2|2,0,0]=4 4392 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,0,0,0,0,2|1,0,1]=4 4393 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,0,0,0,2|1,0,1]=4 4394 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [0,0,0,0,0,2|1,0,1]=4 4395 B13R1.337 O=C([O-])COCCc1cccnc1 34a_100011217484_100020667443 [0,0,0,0,0,2|1,0,1]=4 4396 B13R1.337 O=C([O-])COCCc1ccncc1 34a_100011216225_100020667443 [0,0,0,0,0,2|1,0,1]=4 4397 B13R1.337 O=C([O-])COCCc1cnccn1 34a_100011349526_100020667443 [0,0,0,0,0,2|1,0,1]=4 4398 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,0,0,0,0,2|1,0,1]=4 4399 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,0,0,0,0,2|1,0,1]=4 4400 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100015183660_100020667443 [0,0,0,0,0,2|1,0,1]=4 4401 B13R1.337 O=C([O-])CSCCc1ccccn1 62a_100020667443_100015183660 [0,0,0,0,0,2|1,0,1]=4 4402 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_100020667443_200011713674 [0,0,0,0,0,2|1,0,1]=4 4403 B13R1.337 O=C([O-])CSCCc1cccnc1 62a_200011713674_100020667443 [0,0,0,0,0,2|1,0,1]=4 4404 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100000723409_100020667443 [0,0,0,0,0,2|1,0,1]=4 4405 B13R1.337 O=C([O-])CSCCc1ccncc1 62a_100020667443_100000723409 [0,0,0,0,0,2|1,0,1]=4 4406 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,2|2,0,0]=4 4407 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,2|2,0,0]=4 4408 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,2|2,0,0]=4 4409 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,2|2,0,0]=4 4410 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,2|2,0,0]=4 4411 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [0,0,0,0,0,2|2,0,0]=4 4412 B13R1.343 C=C(Br)CCOCCc1cccs1 34a_100009813270_100000748579 [0,0,0,0,0,2|2,0,0]=4 4413 B13R1.343 C=C(C)CCNCCc1cccs1 2230a_100000203755_100000730704 [0,0,0,0,0,2|2,0,0]=4 4414 B13R1.343 C=C(C)CCNCCc1cccs1 34a_100000203755_100000730704 [0,0,0,0,0,2|2,0,0]=4 4415 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100000764851_100000748579 [0,0,0,0,0,2|2,0,0]=4 4416 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100011216825_100000730704 [0,0,0,0,0,2|2,0,0]=4 4417 B13R1.343 C=C(C)CCOCCc1cccs1 7a_100011216825_100000730704 [0,0,0,0,0,2|2,0,0]=4 4418 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000730704_100000748579 [0,0,0,0,0,2|2,0,0]=4 4419 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000748579_100000730704 [0,0,0,0,0,2|2,0,0]=4 4420 B13R1.343 C=C(C)COCCCc1cccs1 34a_100000210245_100010992444 [0,0,0,0,0,2|2,0,0]=4 4421 B13R1.343 C=C(C)COCCCc1cccs1 34a_100011713143_100000748629 [0,0,0,0,0,2|2,0,0]=4 4422 B13R1.343 C=C(C)COCCCc1cccs1 7a_100011713143_100000748629 [0,0,0,0,0,2|2,0,0]=4 4423 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100000748629_100010992444 [0,0,0,0,0,2|2,0,0]=4 4424 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100010992444_100000211660 [0,0,0,0,0,2|2,0,0]=4 4425 B13R1.343 C=C(F)COCCCc1cccs1 34a_100011713143_100009893438 [0,0,0,0,0,2|2,0,0]=4 4426 B13R1.343 C=C(F)COCCCc1cccs1 34a_200010262243_100010992444 [0,0,0,0,0,2|2,0,0]=4 4427 B13R1.343 C=C(F)COCCCc1cccs1 7a_100011713143_100000042424 [0,0,0,0,0,2|2,0,0]=4 4428 B13R1.343 C=C(F)CSCCCc1cccs1 62a_100000042424_100010992444 [0,0,0,0,0,2|2,0,0]=4 4429 B13R1.343 C=C(F)CSCCCc1cccs1 62a_100010992444_100000042424 [0,0,0,0,0,2|2,0,0]=4 4430 B13R1.343 CC(=CCCNCc1cccs1)C 2230a_100000211653_100011217483 [0,0,0,0,0,2|2,0,0]=4 4431 B13R1.343 CC(=CCCOCc1cccs1)C 34a_100000211240_100011217483 [0,0,0,0,0,2|2,0,0]=4 4432 B13R1.343 CC(=CCNCCc1cccs1)C 2230a_100000203755_100000761012 [0,0,0,0,0,2|2,0,0]=4 4433 B13R1.343 CC(=CCNCCc1cccs1)C 34a_100000203755_100000761012 [0,0,0,0,0,2|2,0,0]=4 4434 B13R1.343 CC(=CCNCCc1cccs1)C 34a_100000718196_100000748579 [0,0,0,0,0,2|2,0,0]=4 4435 B13R1.343 CC(=CCOCCc1cccs1)C 34a_100000753907_100000748579 [0,0,0,0,0,2|2,0,0]=4 4436 B13R1.343 CC(=CCOCCc1cccs1)C 34a_100011216825_100000761012 [0,0,0,0,0,2|2,0,0]=4 4437 B13R1.343 CC(=CCOCCc1cccs1)C 7a_100011216825_100000761012 [0,0,0,0,0,2|2,0,0]=4 4438 B13R1.343 CC(=CCSCCc1cccs1)C 62a_100000748579_100000761012 [0,0,0,0,0,2|2,0,0]=4 4439 B13R1.343 CC(=CCSCCc1cccs1)C 62a_100000761012_100000748579 [0,0,0,0,0,2|2,0,0]=4 4440 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100000735457_100009814098 [0,0,0,0,0,2|1,1,0]=4 4441 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100009814098_100000735457 [0,0,0,0,0,2|1,1,0]=4 4442 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100000735457_100011215356 [0,0,0,0,0,2|1,0,0]=3 4443 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100011215356_100000735457 [0,0,0,0,0,2|1,0,0]=3 4444 B13R1.343 CC(=O)CCCCSc1cncs1 62a_100000735457_100011934649 [0,0,0,0,0,2|2,0,0]=4 4445 B13R1.343 CC(=O)CCCCSc1cncs1 62a_100011934649_100000735457 [0,0,0,0,0,2|2,0,0]=4 4446 B13R1.343 CC(=O)CCCCSc1nccs1 62a_100000211983_100000735457 [0,0,0,0,0,2|2,0,0]=4 4447 B13R1.343 CC(=O)CCCCSc1nccs1 62a_100000735457_100000211983 [0,0,0,0,0,2|2,0,0]=4 4448 B13R1.343 CC(=O)CCCNCc1ccco1 34a_100000185738_100000685027 [0,0,0,0,0,2|1,1,0]=4 4449 B13R1.343 CC(=O)CCCOCc1ccco1 34a_100000210059_100000685027 [0,0,0,0,0,2|1,1,0]=4 4450 B13R1.343 CC(=O)CCCOCc1cccs1 34a_100000211240_100000685027 [0,0,0,0,0,2|1,0,0]=3 4451 B13R1.343 CC(=O)CCCOCc1cncs1 34a_100000759063_100015185245 [0,0,0,0,0,2|2,0,0]=4 4452 B13R1.343 CC(=O)CCCOCc1cncs1 7a_100000759063_100015185245 [0,0,0,0,0,2|2,0,0]=4 4453 B13R1.343 CC(=O)CCCOCc1nccs1 34a_100000759063_100015184050 [0,0,0,0,0,2|2,0,0]=4 4454 B13R1.343 CC(=O)CCCOCc1nccs1 7a_100000759063_100015184050 [0,0,0,0,0,2|2,0,0]=4 4455 B13R1.343 CC(=O)CCCSCc1cncs1 62a_100011215641_100015185245 [0,0,0,0,0,2|2,0,0]=4 4456 B13R1.343 CC(=O)CCCSCc1cncs1 62a_100015185245_100011215641 [0,0,0,0,0,2|2,0,0]=4 4457 B13R1.343 CC(=O)CCCSCc1nccs1 62a_100011215641_100015184050 [0,0,0,0,0,2|2,0,0]=4 4458 B13R1.343 CC(=O)CCCSCc1nccs1 62a_100015184050_100011215641 [0,0,0,0,0,2|2,0,0]=4 4459 B13R1.343 CC(=O)CCOCCc1cccs1 34a_100000759926_100000748579 [0,0,0,0,0,2|1,0,0]=3 4460 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100000759926_100000748579 [0,0,0,0,0,2|1,0,0]=3 4461 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100011216825_100000053229 [0,0,0,0,0,2|1,0,0]=3 4462 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000053229_100000748579 [0,0,0,0,0,2|1,0,0]=3 4463 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000748579_100000053229 [0,0,0,0,0,2|1,0,0]=3 4464 B13R1.343 CC(=O)COCCCc1cccs1 34a_100000211253_100010992444 [0,0,0,0,0,2|1,0,0]=3 4465 B13R1.343 CC(=O)NCCNCc1ccco1 207a_100000209853_100000186105 [0,0,0,0,0,2|1,1,0]=4 4466 B13R1.343 CC(=O)NCCNCc1ccco1 2230a_100000185738_100000189650 [0,0,0,0,0,2|1,1,0]=4 4467 B13R1.343 CC(=O)NCCNCc1cccs1 207a_100000209853_100000209959 [0,0,0,0,0,2|1,0,0]=3 4468 B13R1.343 CC(=O)NCCNCc1cccs1 2230a_100000211653_100000189650 [0,0,0,0,0,2|1,0,0]=3 4469 B13R1.343 CC(=O)NCCNCc1cncs1 207a_100000209853_100000749870 [0,0,0,0,0,2|2,0,0]=4 4470 B13R1.343 CC(=O)NCCNCc1cncs1 2230a_100000209853_100015185245 [0,0,0,0,0,2|2,0,0]=4 4471 B13R1.343 CC(=O)NCCNCc1cncs1 2230a_100016987365_100000189650 [0,0,0,0,0,2|2,0,0]=4 4472 B13R1.343 CC(=O)NCCNCc1nccs1 207a_100000209853_100000750902 [0,0,0,0,0,2|2,0,0]=4 4473 B13R1.343 CC(=O)NCCNCc1nccs1 2230a_100000209853_100015184050 [0,0,0,0,0,2|2,0,0]=4 4474 B13R1.343 CC(=O)NCCNCc1nccs1 2230a_100000740555_100000189650 [0,0,0,0,0,2|2,0,0]=4 4475 B13R1.343 CC(=O)NCCOCc1cncs1 34a_100000158858_100015185245 [0,0,0,0,0,2|2,0,0]=4 4476 B13R1.343 CC(=O)NCCOCc1nccs1 34a_100000158858_100015184050 [0,0,0,0,0,2|2,0,0]=4 4477 B13R1.343 CC(=O)NCCSCc1ccco1 11a_100000184675_100015343762 [0,0,0,0,0,2|1,1,0]=4 4478 B13R1.343 CC(=O)NCCSCc1ccco1 240690a_100000184675_100015343762 [0,0,0,0,0,2|1,1,0]=4 4479 B13R1.343 CC(=O)NCCSCc1ccco1 527a_100000184675_100103153847 [0,0,0,0,0,2|1,1,0]=4 4480 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100000189650_100015185245 [0,0,0,0,0,2|2,0,0]=4 4481 B13R1.343 CC(=O)NCCSCc1cncs1 62a_100015185245_100000189650 [0,0,0,0,0,2|2,0,0]=4 4482 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100000189650_100015184050 [0,0,0,0,0,2|2,0,0]=4 4483 B13R1.343 CC(=O)NCCSCc1nccs1 62a_100015184050_100000189650 [0,0,0,0,0,2|2,0,0]=4 4484 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100000042594_100009814098 [0,0,0,0,0,2|1,1,0]=4 4485 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100009814098_100000042594 [0,0,0,0,0,2|1,1,0]=4 4486 B13R1.343 CC(=O)OCCCSc1cccs1 62a_100000042594_100011215356 [0,0,0,0,0,2|1,0,0]=3 4487 B13R1.343 CC(=O)OCCCSc1cccs1 62a_100011215356_100000042594 [0,0,0,0,0,2|1,0,0]=3 4488 B13R1.343 CC(=O)OCCCSc1cncs1 62a_100000042594_100011934649 [0,0,0,0,0,2|2,0,0]=4 4489 B13R1.343 CC(=O)OCCCSc1cncs1 62a_100011934649_100000042594 [0,0,0,0,0,2|2,0,0]=4 4490 B13R1.343 CC(=O)OCCCSc1nccs1 62a_100000042594_100000211983 [0,0,0,0,0,2|2,0,0]=4 4491 B13R1.343 CC(=O)OCCCSc1nccs1 62a_100000211983_100000042594 [0,0,0,0,0,2|2,0,0]=4 4492 B13R1.343 CC(=O)OCCNCc1ccco1 34a_100000185738_100009814007 [0,0,0,0,0,2|1,1,0]=4 4493 B13R1.343 CC(=O)OCCOCc1ccco1 34a_100000210059_100009814007 [0,0,0,0,0,2|1,1,0]=4 4494 B13R1.343 CC(=O)OCCOCc1cccs1 34a_100000211240_100009814007 [0,0,0,0,0,2|1,0,0]=3 4495 B13R1.343 CC(=O)OCCSCc1cncs1 62a_100009814007_100015185245 [0,0,0,0,0,2|2,0,0]=4 4496 B13R1.343 CC(=O)OCCSCc1cncs1 62a_100015185245_100009814007 [0,0,0,0,0,2|2,0,0]=4 4497 B13R1.343 CC(=O)OCCSCc1nccs1 62a_100009814007_100015184050 [0,0,0,0,0,2|2,0,0]=4 4498 B13R1.343 CC(=O)OCCSCc1nccs1 62a_100015184050_100009814007 [0,0,0,0,0,2|2,0,0]=4 4499 B13R1.343 CC(=O)OCNCCc1ccco1 34a_100000694680_100009813279 [0,0,0,0,0,2|1,1,0]=4 4500 B13R1.343 CC(=O)OCNCCc1cccs1 34a_100000203755_100009813279 [0,0,0,0,0,2|1,0,0]=3 4501 B13R1.343 CC(=O)OCOCCc1cccs1 34a_100011216825_100009813279 [0,0,0,0,0,2|1,0,0]=3 4502 B13R1.343 CC(=O)OCSCCc1cccs1 62a_100000076356_100000748579 [0,0,0,0,0,2|1,0,0]=3 4503 B13R1.343 CC(=O)OCSCCc1cccs1 62a_100000748579_100000076356 [0,0,0,0,0,2|1,0,0]=3 4504 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100000038929_100009814098 [0,0,0,0,0,2|1,1,0]=4 4505 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100009814098_100000038929 [0,0,0,0,0,2|1,1,0]=4 4506 B13R1.343 CC(=O)SCCCSc1cccs1 62a_100000038929_100011215356 [0,0,0,0,0,2|1,0,0]=3 4507 B13R1.343 CC(=O)SCCCSc1cccs1 62a_100011215356_100000038929 [0,0,0,0,0,2|1,0,0]=3 4508 B13R1.343 CC(=O)SCCCSc1cncs1 62a_100000038929_100011934649 [0,0,0,0,0,2|2,0,0]=4 4509 B13R1.343 CC(=O)SCCCSc1cncs1 62a_100011934649_100000038929 [0,0,0,0,0,2|2,0,0]=4 4510 B13R1.343 CC(=O)SCCCSc1nccs1 62a_100000038929_100000211983 [0,0,0,0,0,2|2,0,0]=4 4511 B13R1.343 CC(=O)SCCCSc1nccs1 62a_100000211983_100000038929 [0,0,0,0,0,2|2,0,0]=4 4512 B13R1.343 CC(=S)OCCCSc1cccs1 62a_100011215356_200135323944 [0,0,0,0,0,2|1,1,0]=4 4513 B13R1.343 CC(=S)OCCCSc1cccs1 62a_200135323944_100011215356 [0,0,0,0,0,2|1,1,0]=4 4514 B13R1.343 CC(O)CCCNCc1cccs1 2230a_100000211653_200000718107 [0,0,0,0,0,2|1,0,1]=4 4515 B13R1.343 CC(O)CCCOCc1cccs1 34a_100000211240_200000718107 [0,0,0,0,0,2|1,0,1]=4 4516 B13R1.343 CC(O)CCNCCc1cccs1 2230a_100000203755_100012276601 [0,0,0,0,0,2|1,0,1]=4 4517 B13R1.343 CC(O)CCNCCc1cccs1 2230a_200000755665_100000748579 [0,0,0,0,0,2|1,0,1]=4 4518 B13R1.343 CC(O)CCNCCc1cccs1 34a_100000203755_100012276601 [0,0,0,0,0,2|1,0,1]=4 4519 B13R1.343 CC(O)CCOCCc1cccs1 34a_100011216825_100012276601 [0,0,0,0,0,2|1,0,1]=4 4520 B13R1.343 CC(O)CCOCCc1cccs1 7a_100011216825_100012276601 [0,0,0,0,0,2|1,0,1]=4 4521 B13R1.343 CC(O)CCSCCc1cccs1 62a_100000748579_100012276601 [0,0,0,0,0,2|1,0,1]=4 4522 B13R1.343 CC(O)CCSCCc1cccs1 62a_100012276601_100000748579 [0,0,0,0,0,2|1,0,1]=4 4523 B13R1.343 CC(O)CNCCCc1cccs1 2230a_100000210904_100010992444 [0,0,0,0,0,2|1,0,1]=4 4524 B13R1.343 CC(O)CNCCCc1cccs1 34a_100000210904_100010992444 [0,0,0,0,0,2|1,0,1]=4 4525 B13R1.343 CC(O)COCCCc1cccs1 34a_100011713143_100011218427 [0,0,0,0,0,2|1,0,1]=4 4526 B13R1.343 CC(O)COCCCc1cccs1 7a_100011713143_100011218427 [0,0,0,0,0,2|1,0,1]=4 4527 B13R1.343 CC(O)CSCCCc1cccs1 62a_100010992444_100011218427 [0,0,0,0,0,2|1,0,1]=4 4528 B13R1.343 CC(O)CSCCCc1cccs1 62a_100011218427_100010992444 [0,0,0,0,0,2|1,0,1]=4 4529 B13R1.343 CS(=O)CCCNCc1cccs1 207a_200000753449_100000209959 [0,0,0,0,0,2|2,0,0]=4 4530 B13R1.343 CS(=O)CCCNCc1cccs1 270004a_200000753449_100000209959 [0,0,0,0,0,2|2,0,0]=4 4531 B13R1.343 C[C@@H](O)COCCCc1cccs1 34a_100011713143_100009817552 [0,0,0,0,0,2|1,0,1]=4 4532 B13R1.343 C[C@@H](O)COCCCc1cccs1 7a_100011713143_100009817552 [0,0,0,0,0,2|1,0,1]=4 4533 B13R1.343 C[C@@H](O)CSCCCc1cccs1 62a_100009817552_100010992444 [0,0,0,0,0,2|1,0,1]=4 4534 B13R1.343 C[C@@H](O)CSCCCc1cccs1 62a_100010992444_100009817552 [0,0,0,0,0,2|1,0,1]=4 4535 B13R1.343 FC(=CCCNCc1cccs1)F 2230a_100000211653_200009816681 [0,0,0,0,0,2|2,0,0]=4 4536 B13R1.343 FC(=CCCOCc1cccs1)F 34a_100000211240_200009816681 [0,0,0,0,0,2|2,0,0]=4 4537 B13R1.343 NC(=O)CCCNCc1ccco1 34a_100000185738_100102525003 [0,0,0,0,0,2|1,1,0]=4 4538 B13R1.343 NC(=O)CCCNCc1cncs1 34a_100000739312_100015185245 [0,0,0,0,0,2|2,0,0]=4 4539 B13R1.343 NC(=O)CCCNCc1nccs1 34a_100000739312_100015184050 [0,0,0,0,0,2|2,0,0]=4 4540 B13R1.343 NC(=O)CCCOCc1ccco1 34a_100000210059_100102525003 [0,0,0,0,0,2|1,1,0]=4 4541 B13R1.343 NC(=O)CCCOCc1cccs1 34a_100000211240_100102525003 [0,0,0,0,0,2|1,0,0]=3 4542 B13R1.343 NC(=O)CCCSCc1cncs1 62a_100015185245_100102525003 [0,0,0,0,0,2|2,0,0]=4 4543 B13R1.343 NC(=O)CCCSCc1cncs1 62a_100102525003_100015185245 [0,0,0,0,0,2|2,0,0]=4 4544 B13R1.343 NC(=O)CCCSCc1nccs1 62a_100015184050_100102525003 [0,0,0,0,0,2|2,0,0]=4 4545 B13R1.343 NC(=O)CCCSCc1nccs1 62a_100102525003_100015184050 [0,0,0,0,0,2|2,0,0]=4 4546 B13R1.343 NC(=O)CCNCCc1ccco1 2230a_100000694680_100000744528 [0,0,0,0,0,2|1,1,0]=4 4547 B13R1.343 NC(=O)CCNCCc1ccco1 34a_100000694680_100000731001 [0,0,0,0,0,2|1,1,0]=4 4548 B13R1.343 NC(=O)CCNCCc1cccs1 2230a_100000203755_100000744528 [0,0,0,0,0,2|1,0,0]=3 4549 B13R1.343 NC(=O)CCNCCc1cccs1 34a_100000203755_100000731001 [0,0,0,0,0,2|1,0,0]=3 4550 B13R1.343 NC(=O)CCNCCc1cncs1 2230a_100016991637_100000744528 [0,0,0,0,0,2|2,0,0]=4 4551 B13R1.343 NC(=O)CCNCCc1nccs1 2230a_100015186391_100000744528 [0,0,0,0,0,2|2,0,0]=4 4552 B13R1.343 NC(=O)CCOCCc1cccs1 34a_100000757172_100000748579 [0,0,0,0,0,2|1,0,0]=3 4553 B13R1.343 NC(=O)CCOCCc1cccs1 34a_100011216825_100000731001 [0,0,0,0,0,2|1,0,0]=3 4554 B13R1.343 NC(=O)CCOCCc1cccs1 7a_100000757172_100000748579 [0,0,0,0,0,2|1,0,0]=3 4555 B13R1.343 NC(=O)CCOCCc1cccs1 7a_100011216825_100000744528 [0,0,0,0,0,2|1,0,0]=3 4556 B13R1.343 NC(=O)CCSCCc1cccs1 62a_100000744528_100000748579 [0,0,0,0,0,2|1,0,0]=3 4557 B13R1.343 NC(=O)CCSCCc1cccs1 62a_100000748579_100000744528 [0,0,0,0,0,2|1,0,0]=3 4558 B13R1.343 NC(=O)CNCCCc1cccs1 2230a_100000711301_100010992444 [0,0,0,0,0,2|1,0,0]=3 4559 B13R1.343 NC(=O)COCCCc1cccs1 34a_100011713143_100000187820 [0,0,0,0,0,2|1,0,0]=3 4560 B13R1.343 NC(=O)COCCCc1cccs1 7a_100011713143_100000187820 [0,0,0,0,0,2|1,0,0]=3 4561 B13R1.343 NC(=O)COCCSc1ccco1 62a_100000076697_100009814098 [0,0,0,0,0,2|1,1,0]=4 4562 B13R1.343 NC(=O)COCCSc1ccco1 62a_100009814098_100000076697 [0,0,0,0,0,2|1,1,0]=4 4563 B13R1.343 NC(=O)COCCSc1cccs1 62a_100000076697_100011215356 [0,0,0,0,0,2|1,0,0]=3 4564 B13R1.343 NC(=O)COCCSc1cccs1 62a_100011215356_100000076697 [0,0,0,0,0,2|1,0,0]=3 4565 B13R1.343 NC(=O)COCCSc1cncs1 62a_100000076697_100011934649 [0,0,0,0,0,2|2,0,0]=4 4566 B13R1.343 NC(=O)COCCSc1cncs1 62a_100011934649_100000076697 [0,0,0,0,0,2|2,0,0]=4 4567 B13R1.343 NC(=O)COCCSc1nccs1 62a_100000076697_100000211983 [0,0,0,0,0,2|2,0,0]=4 4568 B13R1.343 NC(=O)COCCSc1nccs1 62a_100000211983_100000076697 [0,0,0,0,0,2|2,0,0]=4 4569 B13R1.343 NC(=O)CSCCCc1cccs1 62a_100000747473_100010992444 [0,0,0,0,0,2|1,0,0]=3 4570 B13R1.343 NC(=O)CSCCCc1cccs1 62a_100010992444_100000747473 [0,0,0,0,0,2|1,0,0]=3 4571 B13R1.343 NC(=O)NCCNCc1ccco1 207a_100020590234_100000186105 [0,0,0,0,0,2|1,1,0]=4 4572 B13R1.343 NC(=O)NCCNCc1ccco1 2230a_100000185738_200000034859 [0,0,0,0,0,2|1,1,0]=4 4573 B13R1.343 NC(=O)NCCNCc1cccs1 207a_100020590234_100000209959 [0,0,0,0,0,2|1,0,0]=3 4574 B13R1.343 NC(=O)NCCNCc1cccs1 2230a_100000211653_200000034859 [0,0,0,0,0,2|1,0,0]=3 4575 B13R1.343 NC(=O)NCCNCc1cncs1 207a_100020590234_100000749870 [0,0,0,0,0,2|2,0,0]=4 4576 B13R1.343 NC(=O)NCCNCc1cncs1 2230a_100016987365_200000034859 [0,0,0,0,0,2|2,0,0]=4 4577 B13R1.343 NC(=O)NCCNCc1cncs1 34a_100020590234_100015185245 [0,0,0,0,0,2|2,0,0]=4 4578 B13R1.343 NC(=O)NCCNCc1nccs1 207a_100020590234_100000750902 [0,0,0,0,0,2|2,0,0]=4 4579 B13R1.343 NC(=O)NCCNCc1nccs1 2230a_100000740555_200000034859 [0,0,0,0,0,2|2,0,0]=4 4580 B13R1.343 NC(=O)NCCNCc1nccs1 34a_100020590234_100015184050 [0,0,0,0,0,2|2,0,0]=4 4581 B13R1.343 NC(=O)NCCOCc1cncs1 34a_100000181757_100015185245 [0,0,0,0,0,2|2,0,0]=4 4582 B13R1.343 NC(=O)NCCOCc1nccs1 34a_100000181757_100015184050 [0,0,0,0,0,2|2,0,0]=4 4583 B13R1.343 NC(=O)NCCSCc1cncs1 62a_100015185245_200000034859 [0,0,0,0,0,2|2,0,0]=4 4584 B13R1.343 NC(=O)NCCSCc1cncs1 62a_200000034859_100015185245 [0,0,0,0,0,2|2,0,0]=4 4585 B13R1.343 NC(=O)NCCSCc1nccs1 62a_100015184050_200000034859 [0,0,0,0,0,2|2,0,0]=4 4586 B13R1.343 NC(=O)NCCSCc1nccs1 62a_200000034859_100015184050 [0,0,0,0,0,2|2,0,0]=4 4587 B13R1.343 NC(=O)OCCNCc1ccco1 34a_100000185738_200011214921 [0,0,0,0,0,2|1,1,0]=4 4588 B13R1.343 NC(=O)OCCOCc1ccco1 34a_100000210059_200011214921 [0,0,0,0,0,2|1,1,0]=4 4589 B13R1.343 NC(=O)OCCOCc1cccs1 34a_100000211240_200011214921 [0,0,0,0,0,2|1,0,0]=3 4590 B13R1.343 NC(=O)OCCOCc1cncs1 7a_100000766696_100015185245 [0,0,0,0,0,2|2,0,0]=4 4591 B13R1.343 NC(=O)OCCOCc1nccs1 7a_100000766696_100015184050 [0,0,0,0,0,2|2,0,0]=4 4592 B13R1.343 NC(=O)OCCSCc1cncs1 62a_100015185245_200011214921 [0,0,0,0,0,2|2,0,0]=4 4593 B13R1.343 NC(=O)OCCSCc1cncs1 62a_200011214921_100015185245 [0,0,0,0,0,2|2,0,0]=4 4594 B13R1.343 NC(=O)OCCSCc1nccs1 62a_100015184050_200011214921 [0,0,0,0,0,2|2,0,0]=4 4595 B13R1.343 NC(=O)OCCSCc1nccs1 62a_200011214921_100015184050 [0,0,0,0,0,2|2,0,0]=4 4596 B13R1.343 O=C(O)CNCCCc1cccs1 269956a_100016091260_100010992444 [0,0,0,0,0,2|0,0,0]=2 4597 B13R1.343 O=C(O)CNCCCn1cccc1 269956a_100016091260_200009814367 [0,0,0,0,0,2|2,0,0]=4 4598 B13R1.343 O=C(O)CNCCCn1cccn1 269956a_100016091260_100000739983 [0,0,0,0,0,2|2,0,0]=4 4599 B13R1.343 O=C(O)CONCCc1c[nH]cn1 269956a_100000106656_100020628418 [0,0,0,0,0,2|2,0,0]=4 4600 B13R1.343 O=C(O)CONCCc1cccs1 269956a_100000106656_100000748579 [0,0,0,0,0,2|0,0,0]=2 4601 B13R1.343 O=C(O)CONCCn1cccc1 269956a_100000106656_200000035178 [0,0,0,0,0,2|2,0,0]=4 4602 B13R1.343 O=C(O)CONCCn1cccn1 269956a_100000106656_100000685285 [0,0,0,0,0,2|2,0,0]=4 4603 B13R1.343 O=C([O-])COCCCc1cccs1 34a_100011713143_100020667443 [0,0,0,0,0,2|0,0,1]=3 4604 B13R1.343 O=C([O-])CSCCCc1cccs1 62a_100010992444_100020667443 [0,0,0,0,0,2|0,0,1]=3 4605 B13R1.343 O=C([O-])CSCCCc1cccs1 62a_100020667443_100010992444 [0,0,0,0,0,2|0,0,1]=3 4606 B13R1.343 O=[N+]([O-])COCCCc1cccs1 34a_100011713143_100000761209 [0,0,0,0,0,2|1,0,1]=4 4607 B13R1.343 O=[N+]([O-])CSCCCc1cccs1 62a_100010992444_100000761209 [0,0,0,0,0,2|1,0,1]=4 4608 B13R1.343 OB(O)CCCCSc1cccs1 62a_100011215356_200009817182 [0,0,0,0,0,2|1,0,1]=4 4609 B13R1.343 OB(O)CCCCSc1cccs1 62a_200009817182_100011215356 [0,0,0,0,0,2|1,0,1]=4