0 B13R1.669 C#CCCSc1c[nH]c(=O)c(c1)O 62a_100000688953_100009814561 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.669 C#CCCSc1cc(c(=O)[nH]n1)C 62a_100000688953_100012187101 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.669 C#CCCSc1cc(c(=O)[nH]n1)N 62a_100000688953_100000102183 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.669 C=CCCSc1c[nH]c(=O)c(c1)O 62a_100000754431_100009814561 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.669 C=CCCSc1cc(c(=O)[nH]n1)C 62a_100000754431_100012187101 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.669 C=CCCSc1cc(c(=O)[nH]n1)N 62a_100000754431_100000102183 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016258520_100009814561 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016258520_100012187101 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016258520_100000102183 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210211_100010125443 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210210 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000210211_100000723523 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210210 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)O 62a_100000210211_100009814561 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)C 62a_100000210211_100012187101 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)N 62a_100000210211_100000102183 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000210211_100000704368 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210210 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100000210211_100009854642 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210210 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 207a_100020643023_100000051075 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100020643023_100000051075 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)O 62a_100000739092_100009814561 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)C 62a_100000739092_100012187101 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)N 62a_100000739092_100000102183 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.669 COCCSc1c[nH]c(=O)c(c1)O 62a_100000233755_100009814561 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.669 COCCSc1cc(c(=O)[nH]n1)C 62a_100000233755_100012187101 [0,0,0,0,0,0|4,0,0]=4 27 B13R1.669 COCCSc1cc(c(=O)[nH]n1)N 62a_100000233755_100000102183 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)O 62a_100000212216_100009814561 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)C 62a_100000212216_100012187101 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)N 62a_100000212216_100000102183 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.669 Cc1cc(n[nH]c1=O)SCCC#N 62a_100011215226_100012187101 [0,0,0,0,0,0|3,0,1]=4 32 B13R1.669 Cc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100012187101 [0,0,0,0,0,0|3,0,0]=3 33 B13R1.669 Cc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100012187101 [0,0,0,0,0,0|2,0,0]=2 34 B13R1.669 Cc1cc(ncc1Br)CNCCO 207a_100000210304_100009814806 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.669 Cc1cc(ncc1Br)CNCCO 270004a_100000210304_100009814806 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.669 Cc1cc(ncc1Br)COCCO 34a_200010713146_100000211926 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.669 Cc1cc(ncc1Br)OCCCO 34a_100000766222_100000230001 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.669 Cc1cc(ncc1Br)SCCCO 62a_100011215043_100012356354 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.669 Cc1cc(ncc1Br)SCCCO 62a_100012356354_100011215043 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.669 Cc1cc(ncc1Cl)OCCCO 34a_200000085746_100000230001 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.669 Cc1cc(ncc1F)SCCCO 62a_100009818257_100011215043 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.669 Cc1cc(ncc1F)SCCCO 62a_100011215043_100009818257 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.669 Cc1cc(ncc1N)SCCCO 62a_100000067204_100011215043 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.669 Cc1cc(ncc1N)SCCCO 62a_100011215043_100000067204 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.669 Cc1cc(ncc1O)SCCCO 62a_100011215043_100000692680 [0,0,0,0,0,0|3,0,1]=4 46 B13R1.669 Cc1cc(nnc1N)SCCCO 62a_100011215043_100153394926 [0,0,0,0,0,0|3,0,1]=4 47 B13R1.669 Cc1cc(nnc1N)SCCCO 62a_100153394926_100011215043 [0,0,0,0,0,0|3,0,1]=4 48 B13R1.669 Cc1ccc(cc1O)NCCCO 34a_100000759471_100000230001 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.669 Cc1ccc(cc1O)NCCCO 7a_100000759471_100011215043 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100000685420_100011215043 [0,0,0,0,0,0|4,0,0]=4 51 B13R1.669 Cc1ccc(cc1O)SCCCO 62a_100011215043_100000685420 [0,0,0,0,0,0|4,0,0]=4 52 B13R1.669 Cc1cnc(cc1Br)CNCCO 207a_100000210304_100010174032 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.669 Cc1cnc(cc1Br)CNCCO 270004a_100000210304_100010174032 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.669 Cc1cnc(cc1Br)COCCO 34a_100010113723_100000211926 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.669 Cc1cnc(cc1Br)COCCO 7a_100010113723_100000211926 [0,0,0,0,0,0|4,0,0]=4 56 B13R1.669 Cc1cnc(cc1Br)OCCCO 34a_100009831917_100000230001 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.669 Cc1cnc(cc1C)SCCCO 62a_100009850809_100011215043 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.669 Cc1cnc(cc1C)SCCCO 62a_100011215043_100009850809 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.669 Cc1cnc(cc1Cl)COCCO 34a_200000144627_100000211926 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.669 Cc1cnc(cc1Cl)COCCO 7a_200000144627_100000211926 [0,0,0,0,0,0|4,0,0]=4 61 B13R1.669 Cc1cnc(cc1F)NCCCO 27a_100000182051_100009841206 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.669 Cc1cnc(cc1F)SCCCO 62a_100009841206_100011215043 [0,0,0,0,0,0|4,0,0]=4 63 B13R1.669 Cc1cnc(cc1F)SCCCO 62a_100011215043_100009841206 [0,0,0,0,0,0|4,0,0]=4 64 B13R1.669 Cc1cnc(cc1N)SCCCO 62a_100000126663_100011215043 [0,0,0,0,0,0|4,0,0]=4 65 B13R1.669 Cc1cnc(cc1N)SCCCO 62a_100011215043_100000126663 [0,0,0,0,0,0|4,0,0]=4 66 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100000704368_100011934791 [0,0,0,0,0,0|4,0,0]=4 67 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100011934791_100000704368 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100000704368_100011215043 [0,0,0,0,0,0|3,0,0]=3 69 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100011215043_100000704368 [0,0,0,0,0,0|3,0,0]=3 70 B13R1.669 Cc1nc(c[nH]c1=O)SCCCO 62a_100010363809_100011215043 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.669 Cc1nc(c[nH]c1=O)SCCCO 62a_100011215043_100010363809 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.669 Cc1ncc(cc1O)SCCCO 62a_100009864810_100011215043 [0,0,0,0,0,0|3,0,1]=4 73 B13R1.669 Cc1ncc(cc1O)SCCCO 62a_100011215043_100009864810 [0,0,0,0,0,0|3,0,1]=4 74 B13R1.669 Cn1cc(ncc1=O)SCCCO 62a_100009843036_100011215043 [0,0,0,0,0,0|4,0,0]=4 75 B13R1.669 Cn1cc(ncc1=O)SCCCO 62a_100011215043_100009843036 [0,0,0,0,0,0|4,0,0]=4 76 B13R1.669 N#CCCSc1c[nH]c(=O)c(c1)O 62a_100011215226_100009814561 [0,0,0,0,0,0|3,0,1]=4 77 B13R1.669 N#CCCSc1cc(c(=O)[nH]n1)N 62a_100011215226_100000102183 [0,0,0,0,0,0|3,0,1]=4 78 B13R1.669 Nc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100000102183 [0,0,0,0,0,0|3,0,0]=3 79 B13R1.669 Nc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100000102183 [0,0,0,0,0,0|2,0,0]=2 80 B13R1.669 Nc1cc(ncc1F)SCCCO 62a_100000126464_100011215043 [0,0,0,0,0,0|4,0,0]=4 81 B13R1.669 Nc1cc(ncc1F)SCCCO 62a_100011215043_100000126464 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.669 Nc1cc(ncc1O)SCCCO 62a_100009819941_100011215043 [0,0,0,0,0,0|3,0,1]=4 83 B13R1.669 Nc1cc(ncc1O)SCCCO 62a_100011215043_100009819941 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100000739049_100011215043 [0,0,0,0,0,0|4,0,0]=4 85 B13R1.669 Nc1ccc(cc1O)SCCCO 62a_100011215043_100000739049 [0,0,0,0,0,0|4,0,0]=4 86 B13R1.669 Nc1cnc(cc1N)SCCCO 62a_100000067514_100011215043 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.669 Nc1cnc(cc1N)SCCCO 62a_100011215043_100000067514 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.669 Nc1ncc(cc1O)SCCCO 62a_100009819042_100011215043 [0,0,0,0,0,0|3,0,1]=4 89 B13R1.669 Nc1ncc(cc1O)SCCCO 62a_100011215043_100009819042 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.669 O=c1[nH]cc(cc1Br)SCCCF 62a_100010125443_100011934791 [0,0,0,0,0,0|4,0,0]=4 91 B13R1.669 O=c1[nH]cc(cc1Br)SCCCF 62a_100011934791_100010125443 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.669 O=c1[nH]cc(cc1Br)SCCCO 62a_100010125443_100011215043 [0,0,0,0,0,0|3,0,0]=3 93 B13R1.669 O=c1[nH]cc(cc1Br)SCCCO 62a_100011215043_100010125443 [0,0,0,0,0,0|3,0,0]=3 94 B13R1.669 O=c1[nH]cc(cc1Cl)CNCCO 207a_100000210304_100000051075 [0,0,0,0,0,0|3,0,0]=3 95 B13R1.669 O=c1[nH]cc(cc1Cl)CNCCO 270004a_100000210304_100000051075 [0,0,0,0,0,0|3,0,0]=3 96 B13R1.669 O=c1[nH]cc(cc1F)SCCCF 62a_100000723523_100011934791 [0,0,0,0,0,0|4,0,0]=4 97 B13R1.669 O=c1[nH]cc(cc1F)SCCCF 62a_100011934791_100000723523 [0,0,0,0,0,0|4,0,0]=4 98 B13R1.669 O=c1[nH]cc(cc1F)SCCCO 62a_100000723523_100011215043 [0,0,0,0,0,0|3,0,0]=3 99 B13R1.669 O=c1[nH]cc(cc1F)SCCCO 62a_100011215043_100000723523 [0,0,0,0,0,0|3,0,0]=3 100 B13R1.669 O=c1[nH]cc(cc1O)SCCCF 62a_100011934791_100009814561 [0,0,0,0,0,0|3,0,0]=3 101 B13R1.669 O=c1[nH]cc(cc1O)SCCCO 62a_100011215043_100009814561 [0,0,0,0,0,0|2,0,0]=2 102 B13R1.669 OCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000230001 [0,0,0,0,0,0|4,0,0]=4 103 B13R1.669 OCCCNc1ccc(c(c1)O)F 34a_100012017398_100000230001 [0,0,0,0,0,0|4,0,0]=4 104 B13R1.669 OCCCNc1ccc(c(c1)O)F 7a_100012017398_100011215043 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.669 OCCCNc1ccc(c(c1)O)O 34a_100102946323_100000230001 [0,0,0,0,0,0|3,0,1]=4 106 B13R1.669 OCCCNc1ncc(c(n1)O)F 27a_100000182051_100011995740 [0,0,0,0,0,0|4,0,0]=4 107 B13R1.669 OCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000230001 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.669 OCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000230001 [0,0,0,0,0,0|4,0,0]=4 109 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100009854642_100011215043 [0,0,0,0,0,0|3,0,0]=3 110 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100011215043_100009854642 [0,0,0,0,0,0|3,0,0]=3 111 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100011215043_100012356990 [0,0,0,0,0,0|4,0,0]=4 112 B13R1.669 OCCCSc1ccc(c(c1)O)Br 62a_100012356990_100011215043 [0,0,0,0,0,0|4,0,0]=4 113 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011215043_100011356854 [0,0,0,0,0,0|4,0,0]=4 114 B13R1.669 OCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100011215043 [0,0,0,0,0,0|4,0,0]=4 115 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100000686035_100011215043 [0,0,0,0,0,0|4,0,0]=4 116 B13R1.669 OCCCSc1ccc(c(c1)O)F 62a_100011215043_100000686035 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.669 OCCCSc1ccc(c(c1)O)O 62a_100011215043_100009813601 [0,0,0,0,0,0|3,0,1]=4 118 B13R1.669 OCCCSc1cnc(c(c1)O)F 62a_100009819871_100011215043 [0,0,0,0,0,0|3,0,1]=4 119 B13R1.669 OCCCSc1cnc(c(c1)O)F 62a_100011215043_100009819871 [0,0,0,0,0,0|3,0,1]=4 120 B13R1.669 OCCCSc1ncc(c(n1)O)F 62a_100011215043_100011995740 [0,0,0,0,0,0|4,0,0]=4 121 B13R1.669 OCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000211926 [0,0,0,0,0,0|4,0,0]=4 122 B13R1.669 OCCNCc1ccc(c(c1)O)F 34a_100160469508_100000211926 [0,0,0,0,0,0|4,0,0]=4 123 B13R1.669 OCCNCc1ccc(c(c1)O)O 34a_100000010075_100000211926 [0,0,0,0,0,0|3,0,1]=4 124 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100009854642_100011934791 [0,0,0,0,0,0|4,0,0]=4 125 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100011934791_100009854642 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.1 C#CCCSc1ccc(=O)[nH]n1 62a_100000688953_100009820020 [1,0,0,0,0,0|2,0,1]=4 127 B12R1.1 C#CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000688953 [1,0,0,0,0,0|2,0,1]=4 128 B12R1.1 C=CCCSc1ccc(=O)[nH]n1 62a_100000754431_100009820020 [1,0,0,0,0,0|2,0,1]=4 129 B12R1.1 C=CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000754431 [1,0,0,0,0,0|2,0,1]=4 130 B12R1.1 C=CCNCc1ccc(=O)[nH]n1 270004a_100020586998_100011361533 [1,0,0,0,0,0|2,0,1]=4 131 B12R1.1 CCCC=Cc1ccc(=O)[nH]n1 271570a_100016258520_100009820020 [1,0,0,0,0,0|1,0,2]=4 132 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [1,0,0,0,0,0|3,0,0]=4 133 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [1,0,0,0,0,0|3,0,0]=4 134 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [1,0,0,0,0,0|3,0,0]=4 135 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [1,0,0,0,0,0|2,0,0]=3 136 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [1,0,0,0,0,0|2,0,0]=3 137 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [1,0,0,0,0,0|2,0,0]=3 138 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [1,0,0,0,0,0|2,0,0]=3 139 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [1,0,0,0,0,0|3,0,0]=4 140 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100000739092_100009820020 [1,0,0,0,0,0|3,0,0]=4 141 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100009820020_100000739092 [1,0,0,0,0,0|3,0,0]=4 142 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100000233755_100009820020 [1,0,0,0,0,0|3,0,0]=4 143 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100009820020_100000233755 [1,0,0,0,0,0|3,0,0]=4 144 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100000212216_100009820020 [1,0,0,0,0,0|3,0,0]=4 145 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000751147 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [1,0,0,0,0,0|3,0,0]=4 147 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [1,0,0,0,0,0|3,0,0]=4 148 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [1,0,0,0,0,0|3,0,0]=4 149 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [1,0,0,0,0,0|3,0,0]=4 154 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.1 Cc1ccc(nn1)NCCCO 27a_100000182051_100000744512 [1,0,0,0,0,0|2,0,1]=4 158 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100000744512_100011215043 [1,0,0,0,0,0|2,0,1]=4 159 B12R1.1 Cc1ccc(nn1)SCCCO 62a_100011215043_100000744512 [1,0,0,0,0,0|2,0,1]=4 160 B12R1.1 N#CCCSc1ccc(=O)[nH]n1 62a_100009820020_100011215226 [1,0,0,0,0,0|2,0,1]=4 161 B12R1.1 N#CCCSc1ccc(=O)[nH]n1 62a_100011215226_100009820020 [1,0,0,0,0,0|2,0,1]=4 162 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [1,0,0,0,0,0|3,0,0]=4 163 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [1,0,0,0,0,0|3,0,0]=4 164 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [1,0,0,0,0,0|3,0,0]=4 165 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [1,0,0,0,0,0|3,0,0]=4 166 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100010219413_100011215043 [1,0,0,0,0,0|2,0,1]=4 167 B12R1.1 Nc1ccc(nn1)SCCCO 62a_100011215043_100010219413 [1,0,0,0,0,0|2,0,1]=4 168 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [1,0,0,0,0,0|3,0,0]=4 169 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [1,0,0,0,0,0|2,0,0]=3 170 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [1,0,0,0,0,0|3,0,0]=4 171 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [1,0,0,0,0,0|2,0,0]=3 172 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100000212171_100011934791 [1,0,0,0,0,0|3,0,0]=4 173 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100011934791_100000212171 [1,0,0,0,0,0|3,0,0]=4 174 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [1,0,0,0,0,0|2,0,0]=3 175 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.1 O=c1ccc(n[nH]1)CNCCO 207a_100000210304_100011361533 [1,0,0,0,0,0|1,0,0]=2 177 B12R1.1 O=c1ccc(n[nH]1)CNCCO 270004a_100000210304_100011361533 [1,0,0,0,0,0|1,0,0]=2 178 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100009820020_100011934791 [1,0,0,0,0,0|2,0,0]=3 179 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100011934791_100009820020 [1,0,0,0,0,0|2,0,0]=3 180 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100009820020_100011215043 [1,0,0,0,0,0|1,0,0]=2 181 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100011215043_100009820020 [1,0,0,0,0,0|1,0,0]=2 182 B12R1.1 O=c1ncc(c[nH]1)SCCCO 62a_100011215043_102495366499 [1,0,0,0,0,0|3,0,0]=4 183 B12R1.1 O=c1ncc(c[nH]1)SCCCO 62a_102495366499_100011215043 [1,0,0,0,0,0|3,0,0]=4 184 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [1,0,0,0,0,0|3,0,0]=4 185 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [1,0,0,0,0,0|3,0,0]=4 186 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [1,0,0,0,0,0|3,0,0]=4 187 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [1,0,0,0,0,0|3,0,0]=4 188 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [1,0,0,0,0,0|3,0,0]=4 189 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [1,0,0,0,0,0|3,0,0]=4 190 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [1,0,0,0,0,0|3,0,0]=4 191 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [1,0,0,0,0,0|2,0,1]=4 194 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [1,0,0,0,0,0|2,0,1]=4 195 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100000068654_100011215043 [1,0,0,0,0,0|2,0,1]=4 196 B12R1.1 OCCCSc1ccc(nn1)Cl 62a_100011215043_100000068654 [1,0,0,0,0,0|2,0,1]=4 197 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [1,0,0,0,0,0|3,0,0]=4 201 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [1,0,0,0,0,0|3,0,0]=4 202 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [1,0,0,0,0,0|3,0,0]=4 203 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [1,0,0,0,0,0|3,0,0]=4 204 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [1,0,0,0,0,0|3,0,0]=4 205 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [1,0,0,0,0,0|3,0,0]=4 206 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [1,0,0,0,0,0|3,0,0]=4 207 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [1,0,0,0,0,0|3,0,0]=4 208 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [1,0,0,0,0,0|3,0,0]=4 209 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [1,0,0,0,0,0|3,0,0]=4 210 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [1,0,0,0,0,0|3,0,0]=4 211 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [1,0,0,0,0,0|3,0,0]=4 212 B12R1.1 OCCNCc1ccc(nn1)Cl 2230a_100016997473_100016992710 [1,0,0,0,0,0|2,0,1]=4 213 B12R1.1 OCCNCc1ccc(nn1)Cl 270004a_100000210304_100000044651 [1,0,0,0,0,0|2,0,1]=4 214 B12R1.1 OCCNCc1ccc(nn1)Cl 34a_100016990907_100016992710 [1,0,0,0,0,0|2,0,1]=4 215 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [1,0,0,0,0,0|3,0,0]=4 216 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [1,0,0,0,0,0|3,0,0]=4 217 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [1,0,0,0,0,0|3,0,0]=4 218 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [1,0,0,0,0,0|3,0,0]=4 219 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [1,0,0,0,0,0|3,0,0]=4 220 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [1,0,0,0,0,0|3,0,0]=4 221 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [1,0,0,0,0,0|3,0,0]=4 222 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [1,0,0,0,0,0|3,0,0]=4 223 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [1,0,0,0,0,0|3,0,0]=4 224 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100000211926_100016992710 [1,0,0,0,0,0|2,0,1]=4 225 B12R1.1 OCCSCc1ccc(nn1)Cl 62a_100016992710_100000211926 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [1,0,0,0,0,0|3,0,0]=4 227 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [1,0,0,0,0,0|2,0,1]=4 228 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [1,0,0,0,0,0|3,0,0]=4 229 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [1,0,0,0,0,0|3,0,0]=4 231 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [1,0,0,0,0,0|3,0,0]=4 232 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [1,0,0,0,0,0|3,0,0]=4 233 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [1,0,0,0,0,0|3,0,0]=4 235 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [1,0,0,0,0,0|3,0,0]=4 236 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [1,0,0,0,0,0|3,0,0]=4 237 B12R1.28 Cc1cnnc(c1)COCCO 34a_100016212594_100000211926 [1,0,0,0,0,0|2,0,1]=4 238 B12R1.28 Cc1cnnc(c1)NCCCO 27a_100000182051_100000070100 [1,0,0,0,0,0|2,0,1]=4 239 B12R1.28 Cc1cnnc(c1)OCCCO 34a_100000766097_100000230001 [1,0,0,0,0,0|2,0,1]=4 240 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100000070100_100011215043 [1,0,0,0,0,0|2,0,1]=4 241 B12R1.28 Cc1cnnc(c1)SCCCO 62a_100011215043_100000070100 [1,0,0,0,0,0|2,0,1]=4 242 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011215043_100011996757 [1,0,0,0,0,0|2,0,1]=4 246 B12R1.28 Nc1cnnc(c1)SCCCO 62a_100011996757_100011215043 [1,0,0,0,0,0|2,0,1]=4 247 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.28 OCCCNc1cc(ncn1)O 27a_100000182051_100000765262 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.28 OCCCNc1nccc(n1)O 27a_100000182051_100011649813 [1,0,0,0,0,0|3,0,0]=4 251 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [1,0,0,0,0,0|3,0,0]=4 254 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [1,0,0,0,0,0|3,0,0]=4 255 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [1,0,0,0,0,0|2,0,0]=3 256 B12R1.28 OCCCSc1cc(cnn1)O 62a_100011215043_200010734679 [1,0,0,0,0,0|1,0,1]=3 257 B12R1.28 OCCCSc1cc(ncn1)O 62a_100011215043_100000765262 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [1,0,0,0,0,0|2,0,1]=4 260 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [1,0,0,0,0,0|2,0,1]=4 261 B12R1.28 OCCCSc1nccc(n1)O 62a_100011215043_100011649813 [1,0,0,0,0,0|3,0,0]=4 262 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [1,0,0,0,0,0|3,0,0]=4 265 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [1,0,0,0,0,0|3,0,0]=4 268 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [1,0,0,0,0,0|3,0,0]=4 269 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [1,0,0,0,0,0|3,0,0]=4 271 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [1,0,0,0,0,0|3,0,0]=4 273 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [1,0,0,0,0,0|3,0,0]=4 274 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [1,0,0,0,0,0|2,0,1]=4 275 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [1,0,0,0,0,0|2,0,1]=4 276 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [1,0,0,0,0,0|3,0,0]=4 277 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [1,0,0,0,0,0|3,0,0]=4 278 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [1,0,0,0,0,0|3,0,0]=4 279 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [1,0,0,0,0,0|3,0,0]=4 280 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [1,0,0,0,0,0|3,0,0]=4 281 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [1,0,0,0,0,0|3,0,0]=4 282 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [1,0,0,0,0,0|3,0,0]=4 283 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [1,0,0,0,0,0|3,0,0]=4 284 B12R1.28 Oc1cnnc(c1)SCCCF 62a_100011934791_200010734679 [1,0,0,0,0,0|2,0,1]=4 285 B12R1.385 CCCCc1c[nH]c(=O)c(c1)Br 271570a_100020621405_100010125443 [1,0,0,0,0,0|2,0,0]=3 286 B12R1.385 CCCCc1c[nH]c(=O)c(c1)F 271570a_100020621405_100000723523 [1,0,0,0,0,0|2,0,0]=3 287 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [1,0,0,0,0,0|1,0,0]=2 288 B12R1.385 CCCCc1c[nH]c(=O)c(n1)C 271570a_100020621405_100010363809 [1,0,0,0,0,0|3,0,0]=4 289 B12R1.385 CCCCc1cc(c(=O)[nH]n1)C 271570a_100020621405_100012187101 [1,0,0,0,0,0|1,0,0]=2 290 B12R1.385 CCCCc1cc(c(=O)[nH]n1)N 271570a_100020621405_100000102183 [1,0,0,0,0,0|1,0,0]=2 291 B12R1.385 CCCCc1cc(c(cn1)Br)C 271570a_100020621405_100012356354 [1,0,0,0,0,0|3,0,0]=4 292 B12R1.385 CCCCc1cc(c(cn1)C)C 271570a_100020621405_100009850809 [1,0,0,0,0,0|3,0,0]=4 293 B12R1.385 CCCCc1cc(c(cn1)C)F 271570a_100020621405_100009841206 [1,0,0,0,0,0|3,0,0]=4 294 B12R1.385 CCCCc1cc(c(cn1)C)N 271570a_100020621405_100000690170 [1,0,0,0,0,0|3,0,0]=4 295 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [1,0,0,0,0,0|2,0,0]=3 296 B12R1.385 CCCCc1cc(c(cn1)F)C 271570a_100020621405_100009818257 [1,0,0,0,0,0|3,0,0]=4 297 B12R1.385 CCCCc1cc(c(cn1)F)N 271570a_100020621405_100000126464 [1,0,0,0,0,0|3,0,0]=4 298 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [1,0,0,0,0,0|2,0,0]=3 299 B12R1.385 CCCCc1cc(c(cn1)N)C 271570a_100020621405_100000765520 [1,0,0,0,0,0|3,0,0]=4 300 B12R1.385 CCCCc1cc(c(cn1)N)N 271570a_100020621405_100000067514 [1,0,0,0,0,0|3,0,0]=4 301 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [1,0,0,0,0,0|2,0,1]=4 303 B12R1.385 CCCCc1cc(c(nn1)N)C 271570a_100020621405_100153394926 [1,0,0,0,0,0|2,0,1]=4 304 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [1,0,0,0,0,0|3,0,0]=4 305 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [1,0,0,0,0,0|3,0,0]=4 306 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [1,0,0,0,0,0|3,0,0]=4 307 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [1,0,0,0,0,0|3,0,0]=4 308 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [1,0,0,0,0,0|3,0,0]=4 309 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [1,0,0,0,0,0|2,0,1]=4 310 B12R1.385 CCCCc1cn(c(=O)cn1)C 271570a_100020621405_100009843036 [1,0,0,0,0,0|3,0,0]=4 311 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [1,0,0,0,0,0|2,0,1]=4 312 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [1,0,0,0,0,0|2,0,1]=4 313 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [1,0,0,0,0,0|2,0,1]=4 314 B12R1.385 CCCCc1ncc(c(n1)O)F 271570a_100020621405_100011995740 [1,0,0,0,0,0|3,0,0]=4 315 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100000210303_100010125443 [1,0,0,0,0,0|3,0,0]=4 316 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210303 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000210303_100000723523 [1,0,0,0,0,0|3,0,0]=4 318 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210303 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.385 CCCSc1c[nH]c(=O)c(c1)O 62a_100000210303_100009814561 [1,0,0,0,0,0|2,0,0]=3 320 B12R1.385 CCCSc1cc(c(=O)[nH]n1)C 62a_100000210303_100012187101 [1,0,0,0,0,0|2,0,0]=3 321 B12R1.385 CCCSc1cc(c(=O)[nH]n1)N 62a_100000210303_100000102183 [1,0,0,0,0,0|2,0,0]=3 322 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000210303_100000704368 [1,0,0,0,0,0|3,0,0]=4 323 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000704368_100000210303 [1,0,0,0,0,0|3,0,0]=4 324 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100000210303_100009854642 [1,0,0,0,0,0|3,0,0]=4 325 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100009854642_100000210303 [1,0,0,0,0,0|3,0,0]=4 326 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 207a_100015525214_100000051075 [1,0,0,0,0,0|3,0,0]=4 327 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 270004a_100015525214_100000051075 [1,0,0,0,0,0|3,0,0]=4 328 B12R1.385 COCSc1c[nH]c(=O)c(c1)O 62a_100000766300_100009814561 [1,0,0,0,0,0|3,0,0]=4 329 B12R1.385 COCSc1cc(c(=O)[nH]n1)C 62a_100000766300_100012187101 [1,0,0,0,0,0|3,0,0]=4 330 B12R1.385 COCSc1cc(c(=O)[nH]n1)N 62a_100000766300_100000102183 [1,0,0,0,0,0|3,0,0]=4 331 B12R1.385 CSCSc1c[nH]c(=O)c(c1)O 62a_100011218213_100009814561 [1,0,0,0,0,0|3,0,0]=4 332 B12R1.385 CSCSc1cc(c(=O)[nH]n1)C 62a_100011218213_100012187101 [1,0,0,0,0,0|3,0,0]=4 333 B12R1.385 CSCSc1cc(c(=O)[nH]n1)N 62a_100011218213_100000102183 [1,0,0,0,0,0|3,0,0]=4 334 B12R1.385 Cc1cc(n[nH]c1=O)SCCF 62a_100011217306_100012187101 [1,0,0,0,0,0|3,0,0]=4 335 B12R1.385 Cc1cc(n[nH]c1=O)SCCO 62a_100000211926_100012187101 [1,0,0,0,0,0|2,0,0]=3 336 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000211926_100000704368 [1,0,0,0,0,0|3,0,0]=4 337 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000704368_100000211926 [1,0,0,0,0,0|3,0,0]=4 338 B12R1.385 Nc1cc(n[nH]c1=O)SCCF 62a_100011217306_100000102183 [1,0,0,0,0,0|3,0,0]=4 339 B12R1.385 Nc1cc(n[nH]c1=O)SCCO 62a_100000211926_100000102183 [1,0,0,0,0,0|2,0,0]=3 340 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100000211926_100010125443 [1,0,0,0,0,0|3,0,0]=4 341 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100010125443_100000211926 [1,0,0,0,0,0|3,0,0]=4 342 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000211926_100000723523 [1,0,0,0,0,0|3,0,0]=4 343 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000723523_100000211926 [1,0,0,0,0,0|3,0,0]=4 344 B12R1.385 O=c1[nH]cc(cc1O)SCCF 62a_100011217306_100009814561 [1,0,0,0,0,0|3,0,0]=4 345 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [1,0,0,0,0,0|2,0,0]=3 346 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100000211926_100009854642 [1,0,0,0,0,0|3,0,0]=4 347 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100009854642_100000211926 [1,0,0,0,0,0|3,0,0]=4 348 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100000210211_100010988966 [0,1,0,0,0,0|3,0,0]=4 349 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210210 [0,1,0,0,0,0|3,0,0]=4 350 B14R1.61 Cc1cc(cn(c1=O)C)SCCCO 62a_100011215043_100011830242 [0,1,0,0,0,0|3,0,0]=4 351 B14R1.61 Cc1cc(cn(c1=O)C)SCCCO 62a_100011830242_100011215043 [0,1,0,0,0,0|3,0,0]=4 352 B14R1.61 Cc1cc(nn(c1=O)C)SCCCF 62a_100010988966_100011934791 [0,1,0,0,0,0|3,0,0]=4 353 B14R1.61 Cc1cc(nn(c1=O)C)SCCCF 62a_100011934791_100010988966 [0,1,0,0,0,0|3,0,0]=4 354 B14R1.61 Cc1cc(nn(c1=O)C)SCCCO 62a_100010988966_100011215043 [0,1,0,0,0,0|2,0,0]=3 355 B14R1.61 Cc1cc(nn(c1=O)C)SCCCO 62a_100011215043_100010988966 [0,1,0,0,0,0|2,0,0]=3 356 B14R1.61 Cn1cc(cc(c1=O)F)SCCCO 62a_100010749421_100011215043 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.61 Cn1cc(cc(c1=O)F)SCCCO 62a_100011215043_100010749421 [0,1,0,0,0,0|3,0,0]=4 358 B14R1.61 Cn1cc(cc(c1=O)N)SCCCO 62a_100011215043_106446545582 [0,1,0,0,0,0|3,0,0]=4 359 B14R1.61 Cn1cc(cc(c1=O)N)SCCCO 62a_106446545582_100011215043 [0,1,0,0,0,0|3,0,0]=4 360 B14R1.232 C#CCCCSc1c[nH]c(=O)c(c1)O 62a_100011215417_100009814561 [0,1,0,0,0,0|2,0,1]=4 361 B14R1.232 C#CCCCSc1cc(c(=O)[nH]n1)C 62a_100011215417_100012187101 [0,1,0,0,0,0|2,0,1]=4 362 B14R1.232 C#CCCCSc1cc(c(=O)[nH]n1)N 62a_100011215417_100000102183 [0,1,0,0,0,0|2,0,1]=4 363 B14R1.232 C=CCCCSc1c[nH]c(=O)c(c1)O 62a_100011713584_100009814561 [0,1,0,0,0,0|2,0,1]=4 364 B14R1.232 C=CCCCSc1cc(c(=O)[nH]n1)C 62a_100011713584_100012187101 [0,1,0,0,0,0|2,0,1]=4 365 B14R1.232 C=CCCCSc1cc(c(=O)[nH]n1)N 62a_100011713584_100000102183 [0,1,0,0,0,0|2,0,1]=4 366 B14R1.232 CCCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016275911_100009814561 [0,1,0,0,0,0|2,0,1]=4 367 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016275911_100012187101 [0,1,0,0,0,0|2,0,1]=4 368 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016275911_100000102183 [0,1,0,0,0,0|2,0,1]=4 369 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210326_100010125443 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210326 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000210326_100000723523 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210326 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)O 62a_100000210326_100009814561 [0,1,0,0,0,0|2,0,0]=3 374 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)C 62a_100000210326_100012187101 [0,1,0,0,0,0|2,0,0]=3 375 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)N 62a_100000210326_100000102183 [0,1,0,0,0,0|2,0,0]=3 376 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000210326_100000704368 [0,1,0,0,0,0|3,0,0]=4 377 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210326 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100000210326_100009854642 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210326 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 207a_100000102301_100000051075 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100000102301_100000051075 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)O 62a_100000210147_100009814561 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)C 62a_100000210147_100012187101 [0,1,0,0,0,0|3,0,0]=4 384 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)N 62a_100000210147_100000102183 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)O 62a_100000757381_100009814561 [0,1,0,0,0,0|3,0,0]=4 386 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)C 62a_100000757381_100012187101 [0,1,0,0,0,0|3,0,0]=4 387 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)N 62a_100000757381_100000102183 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)Br 62a_100000709357_100010125443 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000709357 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)F 62a_100000709357_100000723523 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000709357 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)O 62a_100000709357_100009814561 [0,1,0,0,0,0|2,0,0]=3 393 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)C 62a_100000709357_100012187101 [0,1,0,0,0,0|2,0,0]=3 394 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)N 62a_100000709357_100000102183 [0,1,0,0,0,0|2,0,0]=3 395 B14R1.232 COCCCSc1cc(c(cn1)C)O 62a_100000704368_100000709357 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.232 COCCCSc1cc(c(cn1)C)O 62a_100000709357_100000704368 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.232 COCCCSc1cc(c(cn1)F)O 62a_100000709357_100009854642 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.232 COCCCSc1cc(c(cn1)F)O 62a_100009854642_100000709357 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.232 COCCNCc1c[nH]c(=O)c(c1)Cl 207a_100000209980_100000051075 [0,1,0,0,0,0|3,0,0]=4 400 B14R1.232 COCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100000209980_100000051075 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.232 Cc1cc(n[nH]c1=O)SCC#CCO 62a_200000047223_100012187101 [0,1,0,0,0,0|1,0,2]=4 402 B14R1.232 Cc1cc(n[nH]c1=O)SCCCC#N 62a_100000687738_100012187101 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.232 Cc1cc(n[nH]c1=O)SCCCC=O 62a_200011292268_100012187101 [0,1,0,0,0,0|1,0,2]=4 404 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100012187101 [0,1,0,0,0,0|2,0,0]=3 405 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100012187101 [0,1,0,0,0,0|1,0,0]=2 406 B14R1.232 Cc1cc(ncc1Br)CNCCCO 207a_100000182051_100009814806 [0,1,0,0,0,0|3,0,0]=4 407 B14R1.232 Cc1cc(ncc1Br)CNCCCO 270004a_100000182051_100009814806 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.232 Cc1cc(ncc1Br)COCCCO 34a_200010713146_100000230001 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.232 Cc1cc(ncc1Br)OCCCCO 34a_100000766222_100011216708 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.232 Cc1cc(ncc1Br)SCCCCO 62a_100000210776_100012356354 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.232 Cc1cc(ncc1Br)SCCCCO 62a_100012356354_100000210776 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.232 Cc1cc(ncc1Cl)OCCCCO 34a_200000085746_100011216708 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.232 Cc1cc(ncc1F)SCCCCO 62a_100000210776_100009818257 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.232 Cc1cc(ncc1F)SCCCCO 62a_100009818257_100000210776 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.232 Cc1cc(ncc1N)SCCCCO 62a_100000067204_100000210776 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.232 Cc1cc(ncc1N)SCCCCO 62a_100000210776_100000067204 [0,1,0,0,0,0|3,0,0]=4 417 B14R1.232 Cc1cc(ncc1O)SCCCCO 62a_100000210776_100000692680 [0,1,0,0,0,0|2,0,1]=4 418 B14R1.232 Cc1cc(nnc1N)SCCCCO 62a_100000210776_100153394926 [0,1,0,0,0,0|2,0,1]=4 419 B14R1.232 Cc1cc(nnc1N)SCCCCO 62a_100153394926_100000210776 [0,1,0,0,0,0|2,0,1]=4 420 B14R1.232 Cc1ccc(cc1O)NCCCCO 34a_100000759471_100011216708 [0,1,0,0,0,0|3,0,0]=4 421 B14R1.232 Cc1ccc(cc1O)NCCCCO 7a_100000759471_100000210776 [0,1,0,0,0,0|3,0,0]=4 422 B14R1.232 Cc1ccc(cc1O)SCCCCO 62a_100000210776_100000685420 [0,1,0,0,0,0|3,0,0]=4 423 B14R1.232 Cc1ccc(cc1O)SCCCCO 62a_100000685420_100000210776 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.232 Cc1cnc(cc1Br)CNCCCO 207a_100000182051_100010174032 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.232 Cc1cnc(cc1Br)CNCCCO 270004a_100000182051_100010174032 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.232 Cc1cnc(cc1Br)COCCCO 34a_100010113723_100000230001 [0,1,0,0,0,0|3,0,0]=4 427 B14R1.232 Cc1cnc(cc1Br)COCCCO 7a_100010113723_100011215043 [0,1,0,0,0,0|3,0,0]=4 428 B14R1.232 Cc1cnc(cc1Br)OCCCCO 34a_100009831917_100011216708 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.232 Cc1cnc(cc1C)SCCCCO 62a_100000210776_100009850809 [0,1,0,0,0,0|3,0,0]=4 430 B14R1.232 Cc1cnc(cc1C)SCCCCO 62a_100009850809_100000210776 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.232 Cc1cnc(cc1Cl)COCCCO 34a_200000144627_100000230001 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.232 Cc1cnc(cc1Cl)COCCCO 7a_200000144627_100011215043 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.232 Cc1cnc(cc1F)NCCCCO 27a_100000750430_100009841206 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.232 Cc1cnc(cc1F)SCCCCO 62a_100000210776_100009841206 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.232 Cc1cnc(cc1F)SCCCCO 62a_100009841206_100000210776 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.232 Cc1cnc(cc1N)SCCCCO 62a_100000126663_100000210776 [0,1,0,0,0,0|3,0,0]=4 437 B14R1.232 Cc1cnc(cc1N)SCCCCO 62a_100000210776_100000126663 [0,1,0,0,0,0|3,0,0]=4 438 B14R1.232 Cc1cnc(cc1O)SCCCCF 62a_100000704368_100000729493 [0,1,0,0,0,0|3,0,0]=4 439 B14R1.232 Cc1cnc(cc1O)SCCCCF 62a_100000729493_100000704368 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000210776_100000704368 [0,1,0,0,0,0|2,0,0]=3 441 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000704368_100000210776 [0,1,0,0,0,0|2,0,0]=3 442 B14R1.232 Cc1nc(c[nH]c1=O)SCCCCO 62a_100000210776_100010363809 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.232 Cc1nc(c[nH]c1=O)SCCCCO 62a_100010363809_100000210776 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.232 Cc1ncc(cc1O)SCCCCO 62a_100000210776_100009864810 [0,1,0,0,0,0|2,0,1]=4 445 B14R1.232 Cc1ncc(cc1O)SCCCCO 62a_100009864810_100000210776 [0,1,0,0,0,0|2,0,1]=4 446 B14R1.232 Cn1cc(ncc1=O)SCCCCO 62a_100000210776_100009843036 [0,1,0,0,0,0|3,0,0]=4 447 B14R1.232 Cn1cc(ncc1=O)SCCCCO 62a_100009843036_100000210776 [0,1,0,0,0,0|3,0,0]=4 448 B14R1.232 N#CCCCSc1c[nH]c(=O)c(c1)O 62a_100000687738_100009814561 [0,1,0,0,0,0|2,0,1]=4 449 B14R1.232 N#CCCCSc1cc(c(=O)[nH]n1)N 62a_100000687738_100000102183 [0,1,0,0,0,0|2,0,1]=4 450 B14R1.232 Nc1cc(n[nH]c1=O)SCC#CCO 62a_200000047223_100000102183 [0,1,0,0,0,0|1,0,2]=4 451 B14R1.232 Nc1cc(n[nH]c1=O)SCCCC=O 62a_200011292268_100000102183 [0,1,0,0,0,0|1,0,2]=4 452 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100000102183 [0,1,0,0,0,0|2,0,0]=3 453 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100000102183 [0,1,0,0,0,0|1,0,0]=2 454 B14R1.232 Nc1cc(ncc1F)SCCCCO 62a_100000126464_100000210776 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.232 Nc1cc(ncc1F)SCCCCO 62a_100000210776_100000126464 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.232 Nc1cc(ncc1O)SCCCCO 62a_100000210776_100009819941 [0,1,0,0,0,0|2,0,1]=4 457 B14R1.232 Nc1cc(ncc1O)SCCCCO 62a_100009819941_100000210776 [0,1,0,0,0,0|2,0,1]=4 458 B14R1.232 Nc1ccc(cc1O)SCCCCO 62a_100000210776_100000739049 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.232 Nc1ccc(cc1O)SCCCCO 62a_100000739049_100000210776 [0,1,0,0,0,0|3,0,0]=4 460 B14R1.232 Nc1cnc(cc1N)SCCCCO 62a_100000067514_100000210776 [0,1,0,0,0,0|3,0,0]=4 461 B14R1.232 Nc1cnc(cc1N)SCCCCO 62a_100000210776_100000067514 [0,1,0,0,0,0|3,0,0]=4 462 B14R1.232 Nc1ncc(cc1O)SCCCCO 62a_100000210776_100009819042 [0,1,0,0,0,0|2,0,1]=4 463 B14R1.232 Nc1ncc(cc1O)SCCCCO 62a_100009819042_100000210776 [0,1,0,0,0,0|2,0,1]=4 464 B14R1.232 O=CCCCSc1c[nH]c(=O)c(c1)O 62a_200011292268_100009814561 [0,1,0,0,0,0|1,0,2]=4 465 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCF 62a_100000729493_100010125443 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCF 62a_100010125443_100000729493 [0,1,0,0,0,0|3,0,0]=4 467 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100000210776_100010125443 [0,1,0,0,0,0|2,0,0]=3 468 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100010125443_100000210776 [0,1,0,0,0,0|2,0,0]=3 469 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCF 207a_100015189416_100000051075 [0,1,0,0,0,0|3,0,0]=4 470 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCF 270004a_100015189416_100000051075 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 207a_100000182051_100000051075 [0,1,0,0,0,0|2,0,0]=3 472 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 270004a_100000182051_100000051075 [0,1,0,0,0,0|2,0,0]=3 473 B14R1.232 O=c1[nH]cc(cc1F)SCCCCF 62a_100000723523_100000729493 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.232 O=c1[nH]cc(cc1F)SCCCCF 62a_100000729493_100000723523 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000210776_100000723523 [0,1,0,0,0,0|2,0,0]=3 476 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000723523_100000210776 [0,1,0,0,0,0|2,0,0]=3 477 B14R1.232 O=c1[nH]cc(cc1O)SCC#CCO 62a_200000047223_100009814561 [0,1,0,0,0,0|1,0,2]=4 478 B14R1.232 O=c1[nH]cc(cc1O)SCCCCF 62a_100000729493_100009814561 [0,1,0,0,0,0|2,0,0]=3 479 B14R1.232 O=c1[nH]cc(cc1O)SCCCCO 62a_100000210776_100009814561 [0,1,0,0,0,0|1,0,0]=2 480 B14R1.232 OCCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100011216708 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.232 OCCCCNc1ccc(c(c1)O)F 34a_100012017398_100011216708 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.232 OCCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210776 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.232 OCCCCNc1ccc(c(c1)O)O 34a_100102946323_100011216708 [0,1,0,0,0,0|2,0,1]=4 484 B14R1.232 OCCCCNc1ncc(c(n1)O)F 27a_100000750430_100011995740 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.232 OCCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011216708 [0,1,0,0,0,0|3,0,0]=4 486 B14R1.232 OCCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011216708 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100000210776_100009854642 [0,1,0,0,0,0|2,0,0]=3 488 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210776 [0,1,0,0,0,0|2,0,0]=3 489 B14R1.232 OCCCCSc1ccc(c(c1)O)Br 62a_100000210776_100012356990 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.232 OCCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210776 [0,1,0,0,0,0|3,0,0]=4 491 B14R1.232 OCCCCSc1ccc(c(c1)O)Cl 62a_100000210776_100011356854 [0,1,0,0,0,0|3,0,0]=4 492 B14R1.232 OCCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210776 [0,1,0,0,0,0|3,0,0]=4 493 B14R1.232 OCCCCSc1ccc(c(c1)O)F 62a_100000210776_100000686035 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.232 OCCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210776 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.232 OCCCCSc1ccc(c(c1)O)O 62a_100000210776_100009813601 [0,1,0,0,0,0|2,0,1]=4 496 B14R1.232 OCCCCSc1cnc(c(c1)O)F 62a_100000210776_100009819871 [0,1,0,0,0,0|2,0,1]=4 497 B14R1.232 OCCCCSc1cnc(c(c1)O)F 62a_100009819871_100000210776 [0,1,0,0,0,0|2,0,1]=4 498 B14R1.232 OCCCCSc1ncc(c(n1)O)F 62a_100000210776_100011995740 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.232 OCCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000230001 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.232 OCCCNCc1ccc(c(c1)O)F 34a_100160469508_100000230001 [0,1,0,0,0,0|3,0,0]=4 501 B14R1.232 OCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000230001 [0,1,0,0,0,0|2,0,1]=4 502 B14R1.232 OCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000211926 [0,1,0,0,0,0|2,0,1]=4 503 B14R1.232 OCCSCCc1ccc(c(c1)O)O 62a_100000211926_200010393615 [0,1,0,0,0,0|2,0,1]=4 504 B14R1.232 Oc1cc(ncc1F)SCCCCF 62a_100000729493_100009854642 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.232 Oc1cc(ncc1F)SCCCCF 62a_100009854642_100000729493 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)O 62a_100000210312_100009814561 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.687 CC(C)CCSc1cc(c(=O)[nH]n1)N 62a_100000210312_100000102183 [0,1,0,0,0,0|3,0,0]=4 508 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100012276601 [0,1,0,0,0,0|3,0,0]=4 509 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)Br 62a_100012276601_100010125443 [0,1,0,0,0,0|3,0,0]=4 510 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100012276601 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)F 62a_100012276601_100000723523 [0,1,0,0,0,0|3,0,0]=4 512 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)O 62a_100012276601_100009814561 [0,1,0,0,0,0|2,0,0]=3 513 B14R1.687 CC(O)CCSc1cc(c(=O)[nH]n1)N 62a_100012276601_100000102183 [0,1,0,0,0,0|2,0,0]=3 514 B14R1.687 CC(O)CCSc1cc(c(cn1)F)O 62a_100009854642_100012276601 [0,1,0,0,0,0|3,0,0]=4 515 B14R1.687 CC(O)CCSc1cc(c(cn1)F)O 62a_100012276601_100009854642 [0,1,0,0,0,0|3,0,0]=4 516 B14R1.687 CC(O)CNCc1c[nH]c(=O)c(c1)Cl 207a_100000210904_100000051075 [0,1,0,0,0,0|3,0,0]=4 517 B14R1.687 CC(O)CNCc1c[nH]c(=O)c(c1)Cl 270004a_100000210904_100000051075 [0,1,0,0,0,0|3,0,0]=4 518 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)C 62a_100000210312_100012187101 [0,1,0,0,0,0|3,0,0]=4 519 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)O 62a_100012276601_100012187101 [0,1,0,0,0,0|2,0,0]=3 520 B14R1.687 Cc1cnc(cc1O)SCCC(C)O 62a_100000704368_100012276601 [0,1,0,0,0,0|3,0,0]=4 521 B14R1.687 Cc1cnc(cc1O)SCCC(C)O 62a_100012276601_100000704368 [0,1,0,0,0,0|3,0,0]=4 522 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748023_100009814561 [0,1,0,0,0,0|3,0,0]=4 523 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)C 62a_100000748023_100012187101 [0,1,0,0,0,0|3,0,0]=4 524 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000748023_100000102183 [0,1,0,0,0,0|3,0,0]=4 525 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218378_100009814561 [0,1,0,0,0,0|3,0,0]=4 526 B14R1.833 CCC(O)CSc1cc(c(=O)[nH]n1)C 62a_100011218378_100012187101 [0,1,0,0,0,0|3,0,0]=4 527 B14R1.833 CCC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218378_100000102183 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)O 62a_100009816398_100009814561 [0,1,0,0,0,0|3,0,0]=4 529 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)C 62a_100009816398_100012187101 [0,1,0,0,0,0|3,0,0]=4 530 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)N 62a_100009816398_100000102183 [0,1,0,0,0,0|3,0,0]=4 531 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)Br 62a_100000059175_100010125443 [0,1,0,0,0,0|3,0,0]=4 532 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000059175 [0,1,0,0,0,0|3,0,0]=4 533 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)F 62a_100000059175_100000723523 [0,1,0,0,0,0|3,0,0]=4 534 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000059175 [0,1,0,0,0,0|3,0,0]=4 535 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)O 62a_100000059175_100009814561 [0,1,0,0,0,0|2,0,0]=3 536 B14R1.833 C[C@@H](CO)CSc1cc(c(=O)[nH]n1)N 62a_100000059175_100000102183 [0,1,0,0,0,0|2,0,0]=3 537 B14R1.833 C[C@@H](CO)CSc1cc(c(cn1)F)O 62a_100000059175_100009854642 [0,1,0,0,0,0|3,0,0]=4 538 B14R1.833 C[C@@H](CO)CSc1cc(c(cn1)F)O 62a_100009854642_100000059175 [0,1,0,0,0,0|3,0,0]=4 539 B14R1.833 C[C@H](CO)NCc1c[nH]c(=O)c(c1)Cl 207a_100000737577_100000051075 [0,1,0,0,0,0|3,0,0]=4 540 B14R1.833 C[C@H](CO)NCc1c[nH]c(=O)c(c1)Cl 270004a_100000737577_100000051075 [0,1,0,0,0,0|3,0,0]=4 541 B14R1.833 Cc1cc(n[nH]c1=O)SCC(O)CO 62a_100011219619_100012187101 [0,1,0,0,0,0|2,0,0]=3 542 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](C)CO 62a_100000059175_100012187101 [0,1,0,0,0,0|2,0,0]=3 543 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](O)CF 62a_100015614560_100012187101 [0,1,0,0,0,0|3,0,0]=4 544 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100012187101 [0,1,0,0,0,0|2,0,0]=3 545 B14R1.833 Cc1cnc(cc1O)SCC(O)CO 62a_100000704368_100011219619 [0,1,0,0,0,0|3,0,0]=4 546 B14R1.833 Cc1cnc(cc1O)SCC(O)CO 62a_100011219619_100000704368 [0,1,0,0,0,0|3,0,0]=4 547 B14R1.833 Cc1cnc(cc1O)SC[C@@H](C)CO 62a_100000059175_100000704368 [0,1,0,0,0,0|3,0,0]=4 548 B14R1.833 Cc1cnc(cc1O)SC[C@@H](C)CO 62a_100000704368_100000059175 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.833 Cc1cnc(cc1O)SC[C@@H](O)CO 62a_100000704368_100009815848 [0,1,0,0,0,0|3,0,0]=4 550 B14R1.833 Cc1cnc(cc1O)SC[C@@H](O)CO 62a_100009815848_100000704368 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.833 Nc1cc(n[nH]c1=O)SCC(O)CO 62a_100011219619_100000102183 [0,1,0,0,0,0|2,0,0]=3 552 B14R1.833 Nc1cc(n[nH]c1=O)SC[C@@H](O)CF 62a_100015614560_100000102183 [0,1,0,0,0,0|3,0,0]=4 553 B14R1.833 Nc1cc(n[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100000102183 [0,1,0,0,0,0|2,0,0]=3 554 B14R1.833 O=c1[nH]cc(cc1Br)SCC(O)CO 62a_100010125443_100011219619 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.833 O=c1[nH]cc(cc1Br)SCC(O)CO 62a_100011219619_100010125443 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.833 O=c1[nH]cc(cc1Br)SC[C@@H](O)CO 62a_100009815848_100010125443 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.833 O=c1[nH]cc(cc1Br)SC[C@@H](O)CO 62a_100010125443_100009815848 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.833 O=c1[nH]cc(cc1F)SCC(O)CO 62a_100000723523_100011219619 [0,1,0,0,0,0|3,0,0]=4 559 B14R1.833 O=c1[nH]cc(cc1F)SCC(O)CO 62a_100011219619_100000723523 [0,1,0,0,0,0|3,0,0]=4 560 B14R1.833 O=c1[nH]cc(cc1F)SC[C@@H](O)CO 62a_100000723523_100009815848 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.833 O=c1[nH]cc(cc1F)SC[C@@H](O)CO 62a_100009815848_100000723523 [0,1,0,0,0,0|3,0,0]=4 562 B14R1.833 O=c1[nH]cc(cc1O)SCC(O)CO 62a_100011219619_100009814561 [0,1,0,0,0,0|2,0,0]=3 563 B14R1.833 O=c1[nH]cc(cc1O)SC[C@@H](O)CF 62a_100015614560_100009814561 [0,1,0,0,0,0|3,0,0]=4 564 B14R1.833 O=c1[nH]cc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009814561 [0,1,0,0,0,0|2,0,0]=3 565 B14R1.833 OCC(O)CSc1cc(c(cn1)F)O 62a_100009854642_100011219619 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.833 OCC(O)CSc1cc(c(cn1)F)O 62a_100011219619_100009854642 [0,1,0,0,0,0|3,0,0]=4 567 B14R1.833 OC[C@H](O)CSc1cc(c(cn1)F)O 62a_100009815848_100009854642 [0,1,0,0,0,0|3,0,0]=4 568 B14R1.833 OC[C@H](O)CSc1cc(c(cn1)F)O 62a_100009854642_100009815848 [0,1,0,0,0,0|3,0,0]=4 569 B14R1.907 CCCCSc1c[nH]c(=O)c(c1)OC 62a_100000210211_100010125397 [0,1,0,0,0,0|3,0,0]=4 570 B14R1.907 COc1cc(c[nH]c1=O)SCCCF 62a_100011934791_100010125397 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.907 COc1cc(c[nH]c1=O)SCCCO 62a_100011215043_100010125397 [0,1,0,0,0,0|2,0,0]=3 572 B14R1.907 COc1cc(ncc1Br)COCCO 34a_100010999569_100000211926 [0,1,0,0,0,0|3,0,0]=4 573 B14R1.907 COc1cc(ncc1C)SCCCO 62a_100010067687_100011215043 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.907 COc1cc(ncc1C)SCCCO 62a_100011215043_100010067687 [0,1,0,0,0,0|3,0,0]=4 575 B14R1.907 COc1cc(ncc1F)SCCCO 62a_100011215043_200010136270 [0,1,0,0,0,0|3,0,0]=4 576 B14R1.907 COc1cc(ncc1F)SCCCO 62a_200010136270_100011215043 [0,1,0,0,0,0|3,0,0]=4 577 B14R1.907 COc1cc(ncc1N)SCCCO 62a_100009887741_100011215043 [0,1,0,0,0,0|3,0,0]=4 578 B14R1.907 COc1cc(ncc1N)SCCCO 62a_100011215043_100009887741 [0,1,0,0,0,0|3,0,0]=4 579 B14R1.907 COc1cc(nnc1N)SCCCO 62a_100000688033_100011215043 [0,1,0,0,0,0|2,0,1]=4 580 B14R1.907 COc1cc(nnc1N)SCCCO 62a_100011215043_100000688033 [0,1,0,0,0,0|2,0,1]=4 581 B14R1.907 OCCCSc1cc(c(cn1)F)CO 62a_100000081974_100011215043 [0,1,0,0,0,0|3,0,0]=4 582 B14R1.907 OCCCSc1cc(c(cn1)F)CO 62a_100011215043_100000081974 [0,1,0,0,0,0|3,0,0]=4 583 B14R1.909 COc1cnc(cc1O)SCCCO 62a_100011215043_100010264082 [0,1,0,0,0,0|2,0,1]=4 584 B14R1.909 Cc1cc(ncc1C=O)SCCCO 62a_100000085382_100011215043 [0,1,0,0,0,0|3,0,0]=4 585 B14R1.909 Cc1cc(ncc1C=O)SCCCO 62a_100011215043_100000085382 [0,1,0,0,0,0|3,0,0]=4 586 B14R1.909 Nc1cc(ncc1C=O)SCCCO 62a_100000050503_100011215043 [0,1,0,0,0,0|3,0,0]=4 587 B14R1.909 Nc1cc(ncc1C=O)SCCCO 62a_100011215043_100000050503 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.909 O=Cc1ccc(cc1O)SCCCO 62a_100011215043_100011277552 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.909 O=Cc1ccc(cc1O)SCCCO 62a_100011277552_100011215043 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)Br 62a_100009893172_100010125443 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_100009893172 [0,1,0,0,0,0|3,0,0]=4 592 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)F 62a_100000723523_100009893172 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)F 62a_100009893172_100000723523 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)O 62a_100009893172_100009814561 [0,1,0,0,0,0|2,0,0]=3 595 B14R1.967 CC(CCO)Sc1cc(c(=O)[nH]n1)N 62a_100009893172_100000102183 [0,1,0,0,0,0|2,0,0]=3 596 B14R1.967 CC(CCO)Sc1cc(c(cn1)F)O 62a_100009854642_100009893172 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.967 CC(CCO)Sc1cc(c(cn1)F)O 62a_100009893172_100009854642 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000766640_100009814561 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000766640_100012187101 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000766640_100000102183 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.967 CN(CCO)Cc1c[nH]c(=O)c(c1)Cl 270004a_100000210263_100000051075 [0,1,0,0,0,0|3,0,0]=4 602 B14R1.967 Cc1cc(n[nH]c1=O)SC(C)CCO 62a_100009893172_100012187101 [0,1,0,0,0,0|2,0,0]=3 603 B14R1.967 Cc1cnc(cc1O)SC(C)CCO 62a_100000704368_100009893172 [0,1,0,0,0,0|3,0,0]=4 604 B14R1.967 Cc1cnc(cc1O)SC(C)CCO 62a_100009893172_100000704368 [0,1,0,0,0,0|3,0,0]=4 605 B14R1.3621 Cc1[nH]c(=O)c(cc1SCCCO)N 62a_100010126670_100011215043 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.3621 Cc1[nH]c(=O)c(cc1SCCCO)N 62a_100011215043_100010126670 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.3622 Cc1c(c[nH]c(=O)c1N)SCCCO 62a_100010163742_100011215043 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.3622 Cc1c(c[nH]c(=O)c1N)SCCCO 62a_100011215043_100010163742 [0,1,0,0,0,0|3,0,0]=4 609 B12R0.142 C=CC(=O)NCC(=O)CCCCO 1458a_200011222540_100000210776 [0,0,1,0,0,0|3,0,0]=4 610 B12R0.251 CC(C)C(=O)NN=CCCCCO 4a_100000184118_100000031955 [0,0,1,0,0,0|1,0,2]=4 611 B12R0.251 CCCCCC=NNC(=O)C(=O)N 4a_100000211141_100000737632 [0,0,1,0,0,0|2,0,1]=4 612 B12R0.251 NC(=O)C(=O)NN=CCCCCO 4a_100000211141_100000031955 [0,0,1,0,0,0|1,0,1]=3 613 B14R2.70 Cc1cc(n[nH]c1=O)C2=CCCC2 271570a_100000089523_100012187101 [0,0,0,1,0,0|2,0,1]=4 614 B14R2.70 Nc1cc(n[nH]c1=O)C2=CCCC2 271570a_100000089523_100000102183 [0,0,0,1,0,0|2,0,1]=4 615 B14R2.70 O=c1[nH]cc(cc1O)C2=CCCC2 271570a_100000089523_100009814561 [0,0,0,1,0,0|2,0,1]=4 616 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100012187101 [0,0,0,1,0,0|3,0,0]=4 617 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100012187101 [0,0,0,1,0,0|2,0,0]=3 618 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100012187101 [0,0,0,1,0,0|2,1,0]=4 619 B14R2.10591 Cc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100012187101 [0,0,0,1,0,0|2,0,0]=3 620 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_100000704368_102125554688 [0,0,0,1,0,0|3,0,0]=4 621 B14R2.10591 Cc1cnc(cc1O)SCC2CO2 62a_102125554688_100000704368 [0,0,0,1,0,0|3,0,0]=4 622 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000704368_100000745022 [0,0,0,1,0,0|3,0,0]=4 623 B14R2.10591 Cc1cnc(cc1O)SC[C@@H]2CO2 62a_100000745022_100000704368 [0,0,0,1,0,0|3,0,0]=4 624 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100000102183 [0,0,0,1,0,0|3,0,0]=4 625 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100000102183 [0,0,0,1,0,0|2,0,0]=3 626 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100000102183 [0,0,0,1,0,0|2,1,0]=4 627 B14R2.10591 Nc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100000102183 [0,0,0,1,0,0|2,0,0]=3 628 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_100010125443_102125554688 [0,0,0,1,0,0|3,0,0]=4 629 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CO2 62a_102125554688_100010125443 [0,0,0,1,0,0|3,0,0]=4 630 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100000745022_100010125443 [0,0,0,1,0,0|3,0,0]=4 631 B14R2.10591 O=c1[nH]cc(cc1Br)SC[C@@H]2CO2 62a_100010125443_100000745022 [0,0,0,1,0,0|3,0,0]=4 632 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_100000723523_102125554688 [0,0,0,1,0,0|3,0,0]=4 633 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CO2 62a_102125554688_100000723523 [0,0,0,1,0,0|3,0,0]=4 634 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000723523_100000745022 [0,0,0,1,0,0|3,0,0]=4 635 B14R2.10591 O=c1[nH]cc(cc1F)SC[C@@H]2CO2 62a_100000745022_100000723523 [0,0,0,1,0,0|3,0,0]=4 636 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CC2 62a_100000756562_100009814561 [0,0,0,1,0,0|3,0,0]=4 637 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CO2 62a_102125554688_100009814561 [0,0,0,1,0,0|2,0,0]=3 638 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CS2 62a_100000031435_100009814561 [0,0,0,1,0,0|2,1,0]=4 639 B14R2.10591 O=c1[nH]cc(cc1O)SC[C@@H]2CO2 62a_100000745022_100009814561 [0,0,0,1,0,0|2,0,0]=3 640 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_100009854642_102125554688 [0,0,0,1,0,0|3,0,0]=4 641 B14R2.10591 Oc1cc(ncc1F)SCC2CO2 62a_102125554688_100009854642 [0,0,0,1,0,0|3,0,0]=4 642 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100000745022_100009854642 [0,0,0,1,0,0|3,0,0]=4 643 B14R2.10591 Oc1cc(ncc1F)SC[C@@H]2CO2 62a_100009854642_100000745022 [0,0,0,1,0,0|3,0,0]=4 644 B12R1.527 Cc1[nH]nc(c1C)SCCCO 62a_100011215043_100015309786 [0,0,0,0,1,0|3,0,0]=4 645 B12R1.527 Cc1[nH]nc(c1C)SCCCO 62a_100015309786_100011215043 [0,0,0,0,1,0|3,0,0]=4 646 B12R1.527 Cn1c(n[nH]c1=O)CSCCO 62a_100000211926_100010408635 [0,0,0,0,1,0|3,0,0]=4 647 B12R1.527 Cn1c(n[nH]c1=O)CSCCO 62a_100010408635_100000211926 [0,0,0,0,1,0|3,0,0]=4 648 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [1,0,1,0,0,0|1,0,1]=4 649 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [1,0,1,0,0,0|0,0,2]=4 650 B11R0.42 CCCCC=NNC(=O)C(=O)N 4a_100000211141_100000210104 [1,0,1,0,0,0|1,0,1]=4 651 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [2,0,0,0,0,0|1,0,0]=3 652 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [2,0,0,0,0,0|0,0,0]=2 653 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [2,0,0,0,0,0|2,0,0]=4 654 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [2,0,0,0,0,0|2,0,0]=4 655 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [2,0,0,0,0,0|2,0,0]=4 656 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [2,0,0,0,0,0|2,0,0]=4 657 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [2,0,0,0,0,0|2,0,0]=4 658 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [2,0,0,0,0,0|1,0,1]=4 659 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [2,0,0,0,0,0|1,0,1]=4 660 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [2,0,0,0,0,0|1,0,1]=4 661 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [2,0,0,0,0,0|2,0,0]=4 662 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [2,0,0,0,0,0|2,0,0]=4 663 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [2,0,0,0,0,0|2,0,0]=4 664 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [2,0,0,0,0,0|2,0,0]=4 665 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [2,0,0,0,0,0|1,0,0]=3 666 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [2,0,0,0,0,0|1,0,0]=3 667 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [2,0,0,0,0,0|1,0,0]=3 668 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [2,0,0,0,0,0|1,0,0]=3 669 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [2,0,0,0,0,0|2,0,0]=4 670 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100000766300_100009820020 [2,0,0,0,0,0|2,0,0]=4 671 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100009820020_100000766300 [2,0,0,0,0,0|2,0,0]=4 672 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100009820020_100011218213 [2,0,0,0,0,0|2,0,0]=4 673 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100011218213_100009820020 [2,0,0,0,0,0|2,0,0]=4 674 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [2,0,0,0,0,0|2,0,0]=4 675 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [2,0,0,0,0,0|2,0,0]=4 676 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [2,0,0,0,0,0|2,0,0]=4 677 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100009820020_100011217306 [2,0,0,0,0,0|2,0,0]=4 678 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100011217306_100009820020 [2,0,0,0,0,0|2,0,0]=4 679 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [2,0,0,0,0,0|1,0,0]=3 680 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [2,0,0,0,0,0|1,0,0]=3 681 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [2,0,0,0,0,0|1,0,1]=4 682 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [2,0,0,0,0,0|2,0,0]=4 683 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [2,0,0,0,0,0|2,0,0]=4 684 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [2,0,0,0,0,0|1,0,1]=4 685 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [2,0,0,0,0,0|1,0,1]=4 686 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [2,0,0,0,0,0|2,0,0]=4 687 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [2,0,0,0,0,0|2,0,0]=4 688 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [2,0,0,0,0,0|2,0,0]=4 689 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [2,0,0,0,0,0|2,0,0]=4 690 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [2,0,0,0,0,0|1,0,1]=4 691 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [2,0,0,0,0,0|1,0,1]=4 692 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [2,0,0,0,0,0|1,0,1]=4 693 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [2,0,0,0,0,0|2,0,0]=4 694 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [2,0,0,0,0,0|2,0,0]=4 695 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [2,0,0,0,0,0|1,0,1]=4 696 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [2,0,0,0,0,0|1,0,1]=4 697 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [2,0,0,0,0,0|2,0,0]=4 698 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [2,0,0,0,0,0|2,0,0]=4 699 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [2,0,0,0,0,0|2,0,0]=4 700 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [2,0,0,0,0,0|2,0,0]=4 701 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [2,0,0,0,0,0|1,0,0]=3 702 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [2,0,0,0,0,0|1,0,1]=4 703 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [2,0,0,0,0,0|0,0,1]=3 704 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [2,0,0,0,0,0|2,0,0]=4 705 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [2,0,0,0,0,0|2,0,0]=4 706 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [2,0,0,0,0,0|2,0,0]=4 707 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [2,0,0,0,0,0|1,0,1]=4 708 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [2,0,0,0,0,0|2,0,0]=4 709 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [2,0,0,0,0,0|2,0,0]=4 710 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [2,0,0,0,0,0|1,0,1]=4 711 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [2,0,0,0,0,0|2,0,0]=4 712 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [2,0,0,0,0,0|2,0,0]=4 713 B11R1.24 OCCSc1cc(cnn1)O 62a_100000211926_200010734679 [2,0,0,0,0,0|1,0,1]=4 714 B11R1.192 CCSc1c[nH]c(=O)c(c1)O 62a_100000210202_100009814561 [2,0,0,0,0,0|2,0,0]=4 715 B11R1.192 CCSc1cc(c(=O)[nH]n1)C 62a_100000210202_100012187101 [2,0,0,0,0,0|2,0,0]=4 716 B11R1.192 CCSc1cc(c(=O)[nH]n1)N 62a_100000210202_100000102183 [2,0,0,0,0,0|2,0,0]=4 717 B13R1.9 C#CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100011215417 [1,1,0,0,0,0|1,0,1]=4 718 B13R1.9 C#CCCCSc1ccc(=O)[nH]n1 62a_100011215417_100009820020 [1,1,0,0,0,0|1,0,1]=4 719 B13R1.9 C=CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000757094 [1,1,0,0,0,0|1,0,1]=4 720 B13R1.9 C=CCCCSc1ccc(=O)[nH]n1 62a_100011713584_100009820020 [1,1,0,0,0,0|1,0,1]=4 721 B13R1.9 C=CCCNCc1ccc(=O)[nH]n1 207a_100015191253_100011361533 [1,1,0,0,0,0|1,0,1]=4 722 B13R1.9 C=CCCNCc1ccc(=O)[nH]n1 270004a_100015191253_100011361533 [1,1,0,0,0,0|1,0,1]=4 723 B13R1.9 CCCCC=Cc1ccc(=O)[nH]n1 271570a_100016275911_100009820020 [1,1,0,0,0,0|1,0,1]=4 724 B13R1.9 CCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000718602 [1,1,0,0,0,0|2,0,0]=4 725 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000210326_100000212171 [1,1,0,0,0,0|2,0,0]=4 726 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210326 [1,1,0,0,0,0|2,0,0]=4 727 B13R1.9 CCCCCSc1ccc(=O)[nH]n1 62a_100000210326_100009820020 [1,1,0,0,0,0|1,0,0]=3 728 B13R1.9 CCCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210326 [1,1,0,0,0,0|1,0,0]=3 729 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 207a_100000102301_100011361533 [1,1,0,0,0,0|1,0,0]=3 730 B13R1.9 CCCCNCc1ccc(=O)[nH]n1 270004a_100000102301_100011361533 [1,1,0,0,0,0|1,0,0]=3 731 B13R1.9 CCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210210 [1,1,0,0,0,0|2,0,0]=4 732 B13R1.9 CCOCCSc1ccc(=O)[nH]n1 62a_100000210147_100009820020 [1,1,0,0,0,0|2,0,0]=4 733 B13R1.9 CCOCCSc1ccc(=O)[nH]n1 62a_100009820020_100011215890 [1,1,0,0,0,0|2,0,0]=4 734 B13R1.9 CCSCCSc1ccc(=O)[nH]n1 62a_100000757381_100009820020 [1,1,0,0,0,0|2,0,0]=4 735 B13R1.9 CCSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000757381 [1,1,0,0,0,0|2,0,0]=4 736 B13R1.9 COCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000740836 [1,1,0,0,0,0|2,0,0]=4 737 B13R1.9 COCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000709357 [1,1,0,0,0,0|2,0,0]=4 738 B13R1.9 COCCCSc1ccc(=O)[nH]c1 62a_100000709357_100000212171 [1,1,0,0,0,0|2,0,0]=4 739 B13R1.9 COCCCSc1ccc(=O)[nH]n1 62a_100000709357_100009820020 [1,1,0,0,0,0|1,0,0]=3 740 B13R1.9 COCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000709357 [1,1,0,0,0,0|1,0,0]=3 741 B13R1.9 COCCNCc1ccc(=O)[nH]n1 207a_100000209980_100011361533 [1,1,0,0,0,0|1,0,0]=3 742 B13R1.9 COCCNCc1ccc(=O)[nH]n1 270004a_100000209980_100011361533 [1,1,0,0,0,0|1,0,0]=3 743 B13R1.9 COCCOCc1ccc(=O)[nH]c1 34a_100011999846_100011201679 [1,1,0,0,0,0|2,0,0]=4 744 B13R1.9 CSCCNCc1ccc(=O)[nH]n1 207a_100020590264_100011361533 [1,1,0,0,0,0|1,1,0]=4 745 B13R1.9 CSCCNCc1ccc(=O)[nH]n1 270004a_100020590264_100011361533 [1,1,0,0,0,0|1,1,0]=4 746 B13R1.9 Cc1ccc(nc1)CNCCCO 207a_100000182051_100000050478 [1,1,0,0,0,0|2,0,0]=4 747 B13R1.9 Cc1ccc(nc1)CNCCCO 270004a_100000182051_100000050478 [1,1,0,0,0,0|2,0,0]=4 748 B13R1.9 Cc1ccc(nc1)CNCCCO 34a_100015187455_100000230001 [1,1,0,0,0,0|2,0,0]=4 749 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [1,1,0,0,0,0|2,0,0]=4 750 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100000691093_100011215043 [1,1,0,0,0,0|2,0,0]=4 751 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100011215043_100000691093 [1,1,0,0,0,0|2,0,0]=4 752 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [1,1,0,0,0,0|2,0,0]=4 753 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100000210776_100000754016 [1,1,0,0,0,0|2,0,0]=4 754 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100011192072_100000210776 [1,1,0,0,0,0|2,0,0]=4 755 B13R1.9 Cc1ccc(nn1)NCCCCO 27a_100000750430_100000744512 [1,1,0,0,0,0|1,0,1]=4 756 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000210776_100000744512 [1,1,0,0,0,0|1,0,1]=4 757 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000744512_100000210776 [1,1,0,0,0,0|1,0,1]=4 758 B13R1.9 N#CCCCSc1ccc(=O)[nH]n1 62a_100000687738_100009820020 [1,1,0,0,0,0|1,0,1]=4 759 B13R1.9 N#CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000687738 [1,1,0,0,0,0|1,0,1]=4 760 B13R1.9 N#CCCNCc1ccc(=O)[nH]n1 270004a_100000720768_100011361533 [1,1,0,0,0,0|1,0,1]=4 761 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [1,1,0,0,0,0|2,0,0]=4 762 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [1,1,0,0,0,0|2,0,0]=4 763 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000210776_100000737798 [1,1,0,0,0,0|2,0,0]=4 764 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000737798_100000210776 [1,1,0,0,0,0|2,0,0]=4 765 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100000210776_100010219413 [1,1,0,0,0,0|1,0,1]=4 766 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100010219413_100000210776 [1,1,0,0,0,0|1,0,1]=4 767 B13R1.9 O=CCCCSc1ccc(=O)[nH]n1 62a_100009820020_200011292268 [1,1,0,0,0,0|0,0,2]=4 768 B13R1.9 O=CCCCSc1ccc(=O)[nH]n1 62a_200011292268_100009820020 [1,1,0,0,0,0|0,0,2]=4 769 B13R1.9 O=c1ccc(c[nH]1)COCCCF 34a_100011999846_100011934791 [1,1,0,0,0,0|2,0,0]=4 770 B13R1.9 O=c1ccc(c[nH]1)COCCCO 34a_100011999846_100000230001 [1,1,0,0,0,0|1,0,0]=3 771 B13R1.9 O=c1ccc(c[nH]1)OCCCCF 34a_100000075641_100000729493 [1,1,0,0,0,0|2,0,0]=4 772 B13R1.9 O=c1ccc(c[nH]1)OCCCCO 34a_100000075641_100011216708 [1,1,0,0,0,0|1,0,0]=3 773 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000212171_100000729493 [1,1,0,0,0,0|2,0,0]=4 774 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000729493_100000212171 [1,1,0,0,0,0|2,0,0]=4 775 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000210776_100000212171 [1,1,0,0,0,0|1,0,0]=3 776 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000212171_100000210776 [1,1,0,0,0,0|1,0,0]=3 777 B13R1.9 O=c1ccc(n[nH]1)C=NNCCO 4a_100000210001_100011361533 [1,1,0,0,0,0|1,0,1]=4 778 B13R1.9 O=c1ccc(n[nH]1)CNCCCF 207a_100015189416_100011361533 [1,1,0,0,0,0|1,0,0]=3 779 B13R1.9 O=c1ccc(n[nH]1)CNCCCF 270004a_100015189416_100011361533 [1,1,0,0,0,0|1,0,0]=3 780 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 207a_100000182051_100011361533 [1,1,0,0,0,0|0,0,0]=2 781 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 270004a_100000182051_100011361533 [1,1,0,0,0,0|0,0,0]=2 782 B13R1.9 O=c1ccc(n[nH]1)SCC#CCO 62a_100009820020_200000047223 [1,1,0,0,0,0|0,0,2]=4 783 B13R1.9 O=c1ccc(n[nH]1)SCC#CCO 62a_200000047223_100009820020 [1,1,0,0,0,0|0,0,2]=4 784 B13R1.9 O=c1ccc(n[nH]1)SCCCCF 62a_100000729493_100009820020 [1,1,0,0,0,0|1,0,0]=3 785 B13R1.9 O=c1ccc(n[nH]1)SCCCCF 62a_100009820020_100000729493 [1,1,0,0,0,0|1,0,0]=3 786 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100000210776_100009820020 [1,1,0,0,0,0|0,0,0]=2 787 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100009820020_100000210776 [1,1,0,0,0,0|0,0,0]=2 788 B13R1.9 O=c1ncc(c[nH]1)SCCCCO 62a_100000210776_102495366499 [1,1,0,0,0,0|2,0,0]=4 789 B13R1.9 O=c1ncc(c[nH]1)SCCCCO 62a_102495366499_100000210776 [1,1,0,0,0,0|2,0,0]=4 790 B13R1.9 OCCCCNc1ccc(cn1)Br 27a_100000750430_100000686858 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [1,1,0,0,0,0|2,0,0]=4 792 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [1,1,0,0,0,0|2,0,0]=4 793 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000210776_100000686858 [1,1,0,0,0,0|2,0,0]=4 794 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000686858_100000210776 [1,1,0,0,0,0|2,0,0]=4 795 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [1,1,0,0,0,0|2,0,0]=4 796 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [1,1,0,0,0,0|2,0,0]=4 797 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000210776_100000744514 [1,1,0,0,0,0|2,0,0]=4 798 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000744514_100000210776 [1,1,0,0,0,0|2,0,0]=4 799 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000210776_100000744096 [1,1,0,0,0,0|1,0,1]=4 800 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000685995_100000210776 [1,1,0,0,0,0|1,0,1]=4 801 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000068654_100000210776 [1,1,0,0,0,0|1,0,1]=4 802 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000210776_100000068654 [1,1,0,0,0,0|1,0,1]=4 803 B13R1.9 OCCCNCc1ccc(cn1)Br 207a_100000182051_100000754260 [1,1,0,0,0,0|2,0,0]=4 804 B13R1.9 OCCCNCc1ccc(cn1)Br 270004a_100000182051_100000754260 [1,1,0,0,0,0|2,0,0]=4 805 B13R1.9 OCCCNCc1ccc(cn1)Br 34a_100015188789_100000230001 [1,1,0,0,0,0|2,0,0]=4 806 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [1,1,0,0,0,0|2,0,0]=4 807 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [1,1,0,0,0,0|2,0,0]=4 808 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [1,1,0,0,0,0|2,0,0]=4 809 B13R1.9 OCCCNCc1ccc(cn1)F 207a_100000182051_100011934744 [1,1,0,0,0,0|2,0,0]=4 810 B13R1.9 OCCCNCc1ccc(cn1)F 270004a_100000182051_100011934744 [1,1,0,0,0,0|2,0,0]=4 811 B13R1.9 OCCCNCc1ccc(cn1)F 34a_100020620131_100000230001 [1,1,0,0,0,0|2,0,0]=4 812 B13R1.9 OCCCNCc1ccc(nn1)Cl 270004a_100000182051_100000044651 [1,1,0,0,0,0|1,0,1]=4 813 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [1,1,0,0,0,0|2,0,0]=4 814 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [1,1,0,0,0,0|2,0,0]=4 815 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [1,1,0,0,0,0|2,0,0]=4 816 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100000702658_100011215043 [1,1,0,0,0,0|2,0,0]=4 817 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100011215043_100000702658 [1,1,0,0,0,0|2,0,0]=4 818 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [1,1,0,0,0,0|2,0,0]=4 819 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [1,1,0,0,0,0|2,0,0]=4 820 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100000703193_100011215043 [1,1,0,0,0,0|2,0,0]=4 821 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100011215043_100000703193 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100011215043_100016992710 [1,1,0,0,0,0|1,0,1]=4 823 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100016992710_100011215043 [1,1,0,0,0,0|1,0,1]=4 824 B13R1.9 OCCOCCc1ccc(cn1)Br 34a_100012357577_100000211926 [1,1,0,0,0,0|2,0,0]=4 825 B13R1.14 CC(CO)OCc1ccc(=O)[nH]c1 34a_100011999846_100012180447 [1,1,0,0,0,0|2,0,0]=4 826 B13R1.14 CCC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_100000210202 [1,1,0,0,0,0|1,0,1]=4 827 B13R1.14 CCC(C)CSc1ccc(=O)[nH]n1 62a_100000748023_100009820020 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.14 CCC(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000748023 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.14 CCC(C)NCc1ccc(=O)[nH]n1 207a_100000209981_100011361533 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.14 CCC(C)NCc1ccc(=O)[nH]n1 270004a_100000209981_100011361533 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.14 CCC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218378 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.14 CCC(O)CSc1ccc(=O)[nH]n1 62a_100011218378_100009820020 [1,1,0,0,0,0|2,0,0]=4 833 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]n1 62a_100009816398_100009820020 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]n1 62a_100009820020_100009816398 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.14 C[C@@H](CO)COc1ccc(=O)[nH]c1 34a_100000075641_100000059175 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000059175_100000212171 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000212171_100000059175 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]n1 62a_100000059175_100009820020 [1,1,0,0,0,0|1,0,0]=3 839 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]n1 62a_100009820020_100000059175 [1,1,0,0,0,0|1,0,0]=3 840 B13R1.14 C[C@H](CF)NCc1ccc(=O)[nH]n1 207a_100102880703_100011361533 [1,1,0,0,0,0|2,0,0]=4 841 B13R1.14 C[C@H](CF)NCc1ccc(=O)[nH]n1 270004a_100102880703_100011361533 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.14 C[C@H](CO)NCc1ccc(=O)[nH]n1 207a_100000737577_100011361533 [1,1,0,0,0,0|1,0,0]=3 843 B13R1.14 C[C@H](CO)NCc1ccc(=O)[nH]n1 270004a_100000737577_100011361533 [1,1,0,0,0,0|1,0,0]=3 844 B13R1.14 O=C(CF)CCc1ccc(=O)[nH]n1 1458a_200015201340_100015361967 [1,1,0,0,0,0|1,0,1]=4 845 B13R1.14 O=c1ccc(c[nH]1)OCC(O)CO 34a_100000075641_100011219619 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CO 34a_100000075641_100009815848 [1,1,0,0,0,0|2,0,0]=4 847 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100000212171_100011219619 [1,1,0,0,0,0|2,0,0]=4 848 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100011219619_100000212171 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100000212171_100009815848 [1,1,0,0,0,0|2,0,0]=4 850 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100009815848_100000212171 [1,1,0,0,0,0|2,0,0]=4 851 B13R1.14 O=c1ccc(n[nH]1)SCC(O)CO 62a_100009820020_100011219619 [1,1,0,0,0,0|1,0,0]=3 852 B13R1.14 O=c1ccc(n[nH]1)SCC(O)CO 62a_100011219619_100009820020 [1,1,0,0,0,0|1,0,0]=3 853 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CF 62a_100009820020_100015614560 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CF 62a_100015614560_100009820020 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CO 62a_100009815848_100009820020 [1,1,0,0,0,0|1,0,0]=3 856 B13R1.14 O=c1ccc(n[nH]1)SC[C@@H](O)CO 62a_100009820020_100009815848 [1,1,0,0,0,0|1,0,0]=3 857 B13R1.19 CC(CCO)Oc1ccc(=O)[nH]c1 34a_100000075641_100009893172 [1,1,0,0,0,0|2,0,0]=4 858 B13R1.19 CC(CCO)Sc1ccc(=O)[nH]c1 62a_100000212171_100009893172 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.19 CC(CCO)Sc1ccc(=O)[nH]c1 62a_100009893172_100000212171 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.19 CC(CCO)Sc1ccc(=O)[nH]n1 62a_100009820020_100009893172 [1,1,0,0,0,0|1,0,0]=3 861 B13R1.19 CC(CCO)Sc1ccc(=O)[nH]n1 62a_100009893172_100009820020 [1,1,0,0,0,0|1,0,0]=3 862 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]n1 62a_100000766640_100009820020 [1,1,0,0,0,0|2,0,0]=4 863 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000766640 [1,1,0,0,0,0|2,0,0]=4 864 B13R1.19 CCCN(C)Cc1ccc(=O)[nH]n1 270004a_100000747261_100011361533 [1,1,0,0,0,0|2,0,0]=4 865 B13R1.19 CN(CCO)Cc1ccc(=O)[nH]n1 270004a_100000210263_100011361533 [1,1,0,0,0,0|1,0,0]=3 866 B13R1.369 CCCCSc1n[nH]c(=O)cc1C 62a_100000210211_100000081757 [1,1,0,0,0,0|2,0,0]=4 867 B13R1.369 Cc1cc(=O)[nH]nc1SCCCF 62a_100011934791_100000081757 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.369 Cc1cc(=O)[nH]nc1SCCCO 62a_100011215043_100000081757 [1,1,0,0,0,0|1,0,0]=3 869 B13R1.369 Nc1[nH]c(=O)ccc1SCCCO 62a_100009884077_100011215043 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.369 O=c1[nH]nc(c(=O)[nH]1)NCCCO 27a_100000182051_100000181694 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.369 O=c1[nH]nc(c(=O)[nH]1)SCCCO 62a_100011215043_100000181694 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.369 O=c1cc(c(c[nH]1)SCCCO)F 62a_100011215043_100015631685 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.369 O=c1cc(c(c[nH]1)SCCCO)F 62a_100015631685_100011215043 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100000766901_100011215043 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.371 O=Cc1ccc(nc1)SCCCO 62a_100011215043_100000766901 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.371 O=Cc1ccc(nn1)SCCCO 62a_100000044651_100011215043 [1,1,0,0,0,0|1,0,1]=4 877 B13R1.371 O=Cc1ccc(nn1)SCCCO 62a_100011215043_100000044651 [1,1,0,0,0,0|1,0,1]=4 878 B13R1.513 CC(C)CCSc1ccc(=O)[nH]n1 62a_100000210312_100009820020 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.513 CC(C)CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210312 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.513 CC(C)CNCc1ccc(=O)[nH]n1 207a_100000210953_100011361533 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.513 CC(C)CNCc1ccc(=O)[nH]n1 270004a_100000210953_100011361533 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.513 CC(O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100012276601 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.513 CC(O)CCSc1ccc(=O)[nH]c1 62a_100000212171_100012276601 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.513 CC(O)CCSc1ccc(=O)[nH]c1 62a_100012276601_100000212171 [1,1,0,0,0,0|2,0,0]=4 885 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100009820020_100012276601 [1,1,0,0,0,0|1,0,0]=3 886 B13R1.513 CC(O)CCSc1ccc(=O)[nH]n1 62a_100012276601_100009820020 [1,1,0,0,0,0|1,0,0]=3 887 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 207a_100000210904_100011361533 [1,1,0,0,0,0|1,0,0]=3 888 B13R1.513 CC(O)CNCc1ccc(=O)[nH]n1 270004a_100000210904_100011361533 [1,1,0,0,0,0|1,0,0]=3 889 B13R1.513 CC(O)COCc1ccc(=O)[nH]c1 34a_100011999846_100011218427 [1,1,0,0,0,0|2,0,0]=4 890 B13R1.513 C[C@@H](O)COCc1ccc(=O)[nH]c1 34a_100011999846_100009817552 [1,1,0,0,0,0|2,0,0]=4 891 B13R1.513 O=c1ccc(n[nH]1)CNCC(F)F 207a_100000765723_100011361533 [1,1,0,0,0,0|2,0,0]=4 892 B13R1.513 O=c1ccc(n[nH]1)CNCC(F)F 270004a_100000765723_100011361533 [1,1,0,0,0,0|2,0,0]=4 893 B13R1.6 CCCCCSc1cc(ccn1)O 62a_100000210326_100000762945 [1,1,0,0,0,0|2,0,0]=4 894 B13R1.6 CCCCCSc1cc(cnn1)O 62a_100000210326_200010734679 [1,1,0,0,0,0|1,0,1]=4 895 B13R1.6 COCCCSc1cc(ccn1)O 62a_100000709357_100000762945 [1,1,0,0,0,0|2,0,0]=4 896 B13R1.6 COCCCSc1cc(cnn1)O 62a_100000709357_200010734679 [1,1,0,0,0,0|1,0,1]=4 897 B13R1.6 Cc1ccnc(c1)CNCCCO 207a_100000182051_100011361488 [1,1,0,0,0,0|2,0,0]=4 898 B13R1.6 Cc1ccnc(c1)CNCCCO 270004a_100000182051_100011361488 [1,1,0,0,0,0|2,0,0]=4 899 B13R1.6 Cc1ccnc(c1)COCCCO 34a_100011998357_100000230001 [1,1,0,0,0,0|2,0,0]=4 900 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100000718516_100011215043 [1,1,0,0,0,0|2,0,0]=4 901 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100011215043_100000718516 [1,1,0,0,0,0|2,0,0]=4 902 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000210776_100000750283 [1,1,0,0,0,0|2,0,0]=4 903 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000750283_100000210776 [1,1,0,0,0,0|2,0,0]=4 904 B13R1.6 Cc1cnnc(c1)COCCCO 34a_100016212594_100000230001 [1,1,0,0,0,0|1,0,1]=4 905 B13R1.6 Cc1cnnc(c1)NCCCCO 27a_100000750430_100000070100 [1,1,0,0,0,0|1,0,1]=4 906 B13R1.6 Cc1cnnc(c1)OCCCCO 34a_100000766097_100011216708 [1,1,0,0,0,0|1,0,1]=4 907 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000070100_100000210776 [1,1,0,0,0,0|1,0,1]=4 908 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000210776_100000070100 [1,1,0,0,0,0|1,0,1]=4 909 B13R1.6 Nc1ccnc(c1)COCCCO 34a_100000692640_100000230001 [1,1,0,0,0,0|2,0,0]=4 910 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100000210776_100009814236 [1,1,0,0,0,0|2,0,0]=4 911 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100009814236_100000210776 [1,1,0,0,0,0|2,0,0]=4 912 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100000210776_100011996757 [1,1,0,0,0,0|1,0,1]=4 913 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100011996757_100000210776 [1,1,0,0,0,0|1,0,1]=4 914 B13R1.6 OCCCCNc1cc(ccn1)F 27a_100000750430_100000764206 [1,1,0,0,0,0|2,0,0]=4 915 B13R1.6 OCCCCNc1cc(ncn1)O 27a_100000750430_100000765262 [1,1,0,0,0,0|2,0,0]=4 916 B13R1.6 OCCCCNc1cccc(c1)O 34a_100000210217_100011216708 [1,1,0,0,0,0|2,0,0]=4 917 B13R1.6 OCCCCNc1nccc(n1)O 27a_100000750430_100011649813 [1,1,0,0,0,0|2,0,0]=4 918 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100000210776_100010167805 [1,1,0,0,0,0|2,0,0]=4 919 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210776 [1,1,0,0,0,0|2,0,0]=4 920 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000210776_100000764206 [1,1,0,0,0,0|2,0,0]=4 921 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000764206_100000210776 [1,1,0,0,0,0|2,0,0]=4 922 B13R1.6 OCCCCSc1cc(ccn1)O 62a_100000210776_100000762945 [1,1,0,0,0,0|1,0,0]=3 923 B13R1.6 OCCCCSc1cc(cnn1)O 62a_100000210776_200010734679 [1,1,0,0,0,0|0,0,1]=3 924 B13R1.6 OCCCCSc1cc(ncn1)O 62a_100000210776_100000765262 [1,1,0,0,0,0|2,0,0]=4 925 B13R1.6 OCCCCSc1cccc(c1)O 62a_100000210776_100000211634 [1,1,0,0,0,0|2,0,0]=4 926 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000210776_100000754920 [1,1,0,0,0,0|1,0,1]=4 927 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000754920_100000210776 [1,1,0,0,0,0|1,0,1]=4 928 B13R1.6 OCCCCSc1nccc(n1)O 62a_100000210776_100011649813 [1,1,0,0,0,0|2,0,0]=4 929 B13R1.6 OCCCNCc1cc(ccn1)Br 270004a_100000182051_100009818557 [1,1,0,0,0,0|2,0,0]=4 930 B13R1.6 OCCCNCc1cc(ccn1)Cl 270004a_100000182051_100011998288 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.6 OCCCNCc1cccc(c1)O 207a_100000182051_100000188321 [1,1,0,0,0,0|2,0,0]=4 932 B13R1.6 OCCCNCc1cccc(c1)O 2230a_100000743036_100000230001 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.6 OCCCNCc1cccc(c1)O 270004a_100000182051_100000188321 [1,1,0,0,0,0|2,0,0]=4 934 B13R1.6 OCCCNCc1cccc(c1)O 34a_100000743036_100000230001 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.6 OCCCNCc1cncc(c1)O 207a_100000182051_100012187055 [1,1,0,0,0,0|1,0,1]=4 936 B13R1.6 OCCCNCc1cncc(c1)O 270004a_100000182051_100012187055 [1,1,0,0,0,0|1,0,1]=4 937 B13R1.6 OCCCOCc1cc(ccn1)Cl 34a_100000748867_100000230001 [1,1,0,0,0,0|2,0,0]=4 938 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100010173614_100011215043 [1,1,0,0,0,0|2,0,0]=4 939 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100011215043_100010173614 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100011215043_100016988179 [1,1,0,0,0,0|2,0,0]=4 941 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100016988179_100011215043 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011215043_100011660834 [1,1,0,0,0,0|2,0,0]=4 943 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011660834_100011215043 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.6 OCCNCCc1cccc(c1)O 2230a_100000747277_100000211926 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.6 OCCNCCc1cccc(c1)O 34a_100000747277_100000211926 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.6 Oc1ccnc(c1)SCCCCF 62a_100000729493_100000762945 [1,1,0,0,0,0|2,0,0]=4 947 B13R1.6 Oc1cnnc(c1)SCCCCF 62a_100000729493_200010734679 [1,1,0,0,0,0|1,0,1]=4 948 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)O 62a_100000059175_100000762945 [1,1,0,0,0,0|2,0,0]=4 949 B13R1.15 C[C@@H](CO)CSc1cc(cnn1)O 62a_100000059175_200010734679 [1,1,0,0,0,0|1,0,1]=4 950 B13R1.15 OCC(O)CSc1cc(ccn1)O 62a_100011219619_100000762945 [1,1,0,0,0,0|2,0,0]=4 951 B13R1.15 OCC(O)CSc1cc(cnn1)O 62a_100011219619_200010734679 [1,1,0,0,0,0|1,0,1]=4 952 B13R1.15 OC[C@H](O)CSc1cc(ccn1)O 62a_100009815848_100000762945 [1,1,0,0,0,0|2,0,0]=4 953 B13R1.15 OC[C@H](O)CSc1cc(cnn1)O 62a_100009815848_200010734679 [1,1,0,0,0,0|1,0,1]=4 954 B13R1.16 OCCCSc1nccc(c1F)O 62a_100009876375_100011215043 [1,1,0,0,0,0|2,0,0]=4 955 B13R1.16 OCCCSc1nccc(c1F)O 62a_100011215043_100009876375 [1,1,0,0,0,0|2,0,0]=4 956 B13R1.20 CC(CCO)Sc1cc(ccn1)O 62a_100009893172_100000762945 [1,1,0,0,0,0|2,0,0]=4 957 B13R1.20 CC(CCO)Sc1cc(cnn1)O 62a_100009893172_200010734679 [1,1,0,0,0,0|1,0,1]=4 958 B13R1.149 CC(O)CCSc1cc(ccn1)O 62a_100012276601_100000762945 [1,1,0,0,0,0|2,0,0]=4 959 B13R1.149 CC(O)CCSc1cc(cnn1)O 62a_100012276601_200010734679 [1,1,0,0,0,0|1,0,1]=4 960 B13R1.666 COc1ccnc(c1)CNCCO 207a_100000210304_100000087537 [1,1,0,0,0,0|2,0,0]=4 961 B13R1.666 COc1ccnc(c1)CNCCO 2230a_100016997473_100000752681 [1,1,0,0,0,0|2,0,0]=4 962 B13R1.666 COc1ccnc(c1)CNCCO 270004a_100000210304_100000087537 [1,1,0,0,0,0|2,0,0]=4 963 B13R1.666 COc1ccnc(c1)CNCCO 34a_100016990907_100000752681 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.666 COc1ccnc(c1)COCCO 34a_100000749536_100000211926 [1,1,0,0,0,0|2,0,0]=4 965 B13R1.666 COc1ccnc(c1)CSCCO 62a_100000211926_100000752681 [1,1,0,0,0,0|2,0,0]=4 966 B13R1.666 COc1ccnc(c1)CSCCO 62a_100000752681_100000211926 [1,1,0,0,0,0|2,0,0]=4 967 B13R1.666 COc1ccnc(c1)SCCCO 62a_100009817693_100011215043 [1,1,0,0,0,0|2,0,0]=4 968 B13R1.666 COc1ccnc(c1)SCCCO 62a_100011215043_100011216251 [1,1,0,0,0,0|2,0,0]=4 969 B13R1.666 COc1cnnc(c1)SCCCO 62a_100011215043_100000087634 [1,1,0,0,0,0|1,0,1]=4 970 B13R1.666 OCCCSc1cc(ccn1)CO 62a_100009814636_100011215043 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.666 OCCCSc1cc(ccn1)CO 62a_100011215043_100009814636 [1,1,0,0,0,0|2,0,0]=4 972 B13R1.136 CCCCc1cc(c(=O)n(c1)C)C 271570a_100020621405_100011830242 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.136 CCCCc1cc(c(=O)n(c1)C)F 271570a_100020621405_100010749421 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.136 CCCCc1cc(c(=O)n(c1)C)N 271570a_100020621405_106446545582 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.136 CCCCc1cc(c(=O)n(n1)C)C 271570a_100020621405_100010988966 [1,1,0,0,0,0|1,0,0]=3 976 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100000210303_100010988966 [1,1,0,0,0,0|2,0,0]=4 977 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210303 [1,1,0,0,0,0|2,0,0]=4 978 B13R1.136 Cc1cc(nn(c1=O)C)SCCO 62a_100000211926_100010988966 [1,1,0,0,0,0|2,0,0]=4 979 B13R1.136 Cc1cc(nn(c1=O)C)SCCO 62a_100010988966_100000211926 [1,1,0,0,0,0|2,0,0]=4 980 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000210624_100009814561 [1,1,0,0,0,0|2,0,0]=4 981 B13R1.511 CC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000210624_100000102183 [1,1,0,0,0,0|2,0,0]=4 982 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218427_100009814561 [1,1,0,0,0,0|2,0,0]=4 983 B13R1.511 CC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218427_100000102183 [1,1,0,0,0,0|2,0,0]=4 984 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)O 62a_100009817552_100009814561 [1,1,0,0,0,0|2,0,0]=4 985 B13R1.511 C[C@@H](O)CSc1cc(c(=O)[nH]n1)N 62a_100009817552_100000102183 [1,1,0,0,0,0|2,0,0]=4 986 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)C 62a_100000210624_100012187101 [1,1,0,0,0,0|2,0,0]=4 987 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)O 62a_100011218427_100012187101 [1,1,0,0,0,0|2,0,0]=4 988 B13R1.511 Cc1cc(n[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100012187101 [1,1,0,0,0,0|2,0,0]=4 989 B13R1.575 CCCCc1c[nH]c(=O)c(c1)OC 271570a_100020621405_100010125397 [1,1,0,0,0,0|1,0,0]=3 990 B13R1.575 CCCCc1cc(c(cn1)C)OC 271570a_100020621405_100010067687 [1,1,0,0,0,0|2,0,0]=4 991 B13R1.575 CCCCc1cc(c(cn1)F)CO 271570a_100020621405_100000081974 [1,1,0,0,0,0|2,0,0]=4 992 B13R1.575 CCCCc1cc(c(cn1)F)OC 271570a_100020621405_200010136270 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.575 CCCCc1cc(c(cn1)N)OC 271570a_100020621405_100009887741 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.575 CCCCc1cc(c(nn1)N)OC 271570a_100020621405_100000688033 [1,1,0,0,0,0|1,0,1]=4 995 B13R1.575 CCCSc1c[nH]c(=O)c(c1)OC 62a_100000210303_100010125397 [1,1,0,0,0,0|2,0,0]=4 996 B13R1.575 COc1cc(c[nH]c1=O)SCCO 62a_100000211926_100010125397 [1,1,0,0,0,0|2,0,0]=4 997 B13R1.577 CCCCc1cc(c(cn1)C=O)C 271570a_100020621405_100000085382 [1,1,0,0,0,0|2,0,0]=4 998 B13R1.577 CCCCc1cc(c(cn1)OC)O 271570a_100020621405_100010264082 [1,1,0,0,0,0|1,0,1]=4 999 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [1,1,0,0,0,0|2,0,0]=4 1000 B13R1.1630 CCCCc1cc(c(=O)[nH]c1C)N 271570a_100020621405_100010126670 [1,1,0,0,0,0|2,0,0]=4 1001 B13R1.2879 CC(CO)Sc1c[nH]c(=O)c(c1)O 62a_100012180447_100009814561 [1,1,0,0,0,0|2,0,0]=4 1002 B13R1.2879 CC(CO)Sc1cc(c(=O)[nH]n1)N 62a_100012180447_100000102183 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000758301_100009814561 [1,1,0,0,0,0|2,0,0]=4 1004 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000758301_100012187101 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000758301_100000102183 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.2879 C[C@H](CO)Sc1c[nH]c(=O)c(c1)O 62a_100016084084_100009814561 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.2879 C[C@H](CO)Sc1cc(c(=O)[nH]n1)N 62a_100016084084_100000102183 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.2879 Cc1cc(n[nH]c1=O)SC(C)CO 62a_100012180447_100012187101 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.2879 Cc1cc(n[nH]c1=O)S[C@H](C)CO 62a_100016084084_100012187101 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.3518 CCCCc1c[nH]c(=O)c(c1C)N 271570a_100020621405_100010163742 [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.3440 Cc1[nH]nc(c1C)SCCCCO 62a_100000210776_100015309786 [0,1,0,0,1,0|2,0,0]=4 1012 B13R1.3440 Cc1[nH]nc(c1C)SCCCCO 62a_100015309786_100000210776 [0,1,0,0,1,0|2,0,0]=4 1013 B13R1.3440 Cn1c(n[nH]c1=O)CSCCCO 62a_100010408635_100011215043 [0,1,0,0,1,0|2,0,0]=4 1014 B13R1.3440 Cn1c(n[nH]c1=O)CSCCCO 62a_100011215043_100010408635 [0,1,0,0,1,0|2,0,0]=4 1015 B15R1.552 CCCCCSc1cc(c(=O)n(n1)C)C 62a_100000210326_100010988966 [0,2,0,0,0,0|2,0,0]=4 1016 B15R1.552 CCCCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210326 [0,2,0,0,0,0|2,0,0]=4 1017 B15R1.552 COCCCSc1cc(c(=O)n(n1)C)C 62a_100000709357_100010988966 [0,2,0,0,0,0|2,0,0]=4 1018 B15R1.552 COCCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000709357 [0,2,0,0,0,0|2,0,0]=4 1019 B15R1.552 Cc1cc(cn(c1=O)C)SCCCCO 62a_100000210776_100011830242 [0,2,0,0,0,0|2,0,0]=4 1020 B15R1.552 Cc1cc(cn(c1=O)C)SCCCCO 62a_100011830242_100000210776 [0,2,0,0,0,0|2,0,0]=4 1021 B15R1.552 Cc1cc(nn(c1=O)C)SCCCCF 62a_100000729493_100010988966 [0,2,0,0,0,0|2,0,0]=4 1022 B15R1.552 Cc1cc(nn(c1=O)C)SCCCCF 62a_100010988966_100000729493 [0,2,0,0,0,0|2,0,0]=4 1023 B15R1.552 Cc1cc(nn(c1=O)C)SCCCCO 62a_100000210776_100010988966 [0,2,0,0,0,0|1,0,0]=3 1024 B15R1.552 Cc1cc(nn(c1=O)C)SCCCCO 62a_100010988966_100000210776 [0,2,0,0,0,0|1,0,0]=3 1025 B15R1.552 Cn1cc(cc(c1=O)F)SCCCCO 62a_100000210776_100010749421 [0,2,0,0,0,0|2,0,0]=4 1026 B15R1.552 Cn1cc(cc(c1=O)F)SCCCCO 62a_100010749421_100000210776 [0,2,0,0,0,0|2,0,0]=4 1027 B15R1.552 Cn1cc(cc(c1=O)N)SCCCCO 62a_100000210776_106446545582 [0,2,0,0,0,0|2,0,0]=4 1028 B15R1.552 Cn1cc(cc(c1=O)N)SCCCCO 62a_106446545582_100000210776 [0,2,0,0,0,0|2,0,0]=4 1029 B15R1.766 Cc1cc(nn(c1=O)C)SC(C)CCO 62a_100009893172_100010988966 [0,2,0,0,0,0|2,0,0]=4 1030 B15R1.766 Cc1cc(nn(c1=O)C)SC(C)CCO 62a_100010988966_100009893172 [0,2,0,0,0,0|2,0,0]=4 1031 B15R1.2993 Cc1cc(nn(c1=O)C)SCC(O)CO 62a_100010988966_100011219619 [0,2,0,0,0,0|2,0,0]=4 1032 B15R1.2993 Cc1cc(nn(c1=O)C)SCC(O)CO 62a_100011219619_100010988966 [0,2,0,0,0,0|2,0,0]=4 1033 B15R1.2993 Cc1cc(nn(c1=O)C)SC[C@@H](C)CO 62a_100000059175_100010988966 [0,2,0,0,0,0|2,0,0]=4 1034 B15R1.2993 Cc1cc(nn(c1=O)C)SC[C@@H](C)CO 62a_100010988966_100000059175 [0,2,0,0,0,0|2,0,0]=4 1035 B15R1.2993 Cc1cc(nn(c1=O)C)SC[C@@H](O)CO 62a_100009815848_100010988966 [0,2,0,0,0,0|2,0,0]=4 1036 B15R1.2993 Cc1cc(nn(c1=O)C)SC[C@@H](O)CO 62a_100010988966_100009815848 [0,2,0,0,0,0|2,0,0]=4 1037 B15R1.28956 Cc1cc(nn(c1=O)C)SCCC(C)O 62a_100010988966_100012276601 [0,2,0,0,0,0|2,0,0]=4 1038 B15R1.28956 Cc1cc(nn(c1=O)C)SCCC(C)O 62a_100012276601_100010988966 [0,2,0,0,0,0|2,0,0]=4 1039 B15R1.245 CCCCCSc1c[nH]c(=O)c(c1)OC 62a_100000210326_100010125397 [0,2,0,0,0,0|2,0,0]=4 1040 B15R1.245 COCCCSc1c[nH]c(=O)c(c1)OC 62a_100000709357_100010125397 [0,2,0,0,0,0|2,0,0]=4 1041 B15R1.245 COc1cc(c[nH]c1=O)SCCCCF 62a_100000729493_100010125397 [0,2,0,0,0,0|2,0,0]=4 1042 B15R1.245 COc1cc(c[nH]c1=O)SCCCCO 62a_100000210776_100010125397 [0,2,0,0,0,0|1,0,0]=3 1043 B15R1.245 COc1cc(ncc1Br)COCCCO 34a_100010999569_100000230001 [0,2,0,0,0,0|2,0,0]=4 1044 B15R1.245 COc1cc(ncc1C)SCCCCO 62a_100000210776_100010067687 [0,2,0,0,0,0|2,0,0]=4 1045 B15R1.245 COc1cc(ncc1C)SCCCCO 62a_100010067687_100000210776 [0,2,0,0,0,0|2,0,0]=4 1046 B15R1.245 COc1cc(ncc1F)SCCCCO 62a_100000210776_200010136270 [0,2,0,0,0,0|2,0,0]=4 1047 B15R1.245 COc1cc(ncc1F)SCCCCO 62a_200010136270_100000210776 [0,2,0,0,0,0|2,0,0]=4 1048 B15R1.245 COc1cc(ncc1N)SCCCCO 62a_100000210776_100009887741 [0,2,0,0,0,0|2,0,0]=4 1049 B15R1.245 COc1cc(ncc1N)SCCCCO 62a_100009887741_100000210776 [0,2,0,0,0,0|2,0,0]=4 1050 B15R1.245 COc1cc(nnc1N)SCCCCO 62a_100000210776_100000688033 [0,2,0,0,0,0|1,0,1]=4 1051 B15R1.245 COc1cc(nnc1N)SCCCCO 62a_100000688033_100000210776 [0,2,0,0,0,0|1,0,1]=4 1052 B15R1.245 OCCCCSc1cc(c(cn1)F)CO 62a_100000081974_100000210776 [0,2,0,0,0,0|2,0,0]=4 1053 B15R1.245 OCCCCSc1cc(c(cn1)F)CO 62a_100000210776_100000081974 [0,2,0,0,0,0|2,0,0]=4 1054 B15R1.247 COc1cnc(cc1O)SCCCCO 62a_100000210776_100010264082 [0,2,0,0,0,0|1,0,1]=4 1055 B15R1.247 Cc1cc(ncc1C=O)SCCCCO 62a_100000085382_100000210776 [0,2,0,0,0,0|2,0,0]=4 1056 B15R1.247 Cc1cc(ncc1C=O)SCCCCO 62a_100000210776_100000085382 [0,2,0,0,0,0|2,0,0]=4 1057 B15R1.247 Nc1cc(ncc1C=O)SCCCCO 62a_100000050503_100000210776 [0,2,0,0,0,0|2,0,0]=4 1058 B15R1.247 Nc1cc(ncc1C=O)SCCCCO 62a_100000210776_100000050503 [0,2,0,0,0,0|2,0,0]=4 1059 B15R1.247 O=Cc1ccc(cc1O)SCCCCO 62a_100000210776_100011277552 [0,2,0,0,0,0|2,0,0]=4 1060 B15R1.247 O=Cc1ccc(cc1O)SCCCCO 62a_100011277552_100000210776 [0,2,0,0,0,0|2,0,0]=4 1061 B15R1.888 CC(C)CCCSc1c[nH]c(=O)c(c1)O 62a_100011214892_100009814561 [0,2,0,0,0,0|2,0,0]=4 1062 B15R1.888 CC(C)CCCSc1cc(c(=O)[nH]n1)N 62a_100011214892_100000102183 [0,2,0,0,0,0|2,0,0]=4 1063 B15R1.888 CC(O)CCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_200000718107 [0,2,0,0,0,0|2,0,0]=4 1064 B15R1.888 CC(O)CCCSc1c[nH]c(=O)c(c1)Br 62a_200000718107_100010125443 [0,2,0,0,0,0|2,0,0]=4 1065 B15R1.888 CC(O)CCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_200000718107 [0,2,0,0,0,0|2,0,0]=4 1066 B15R1.888 CC(O)CCCSc1c[nH]c(=O)c(c1)F 62a_200000718107_100000723523 [0,2,0,0,0,0|2,0,0]=4 1067 B15R1.888 CC(O)CCCSc1c[nH]c(=O)c(c1)O 62a_200000718107_100009814561 [0,2,0,0,0,0|1,0,0]=3 1068 B15R1.888 CC(O)CCCSc1cc(c(=O)[nH]n1)N 62a_200000718107_100000102183 [0,2,0,0,0,0|1,0,0]=3 1069 B15R1.888 CC(O)CCCSc1cc(c(cn1)F)O 62a_100009854642_200000718107 [0,2,0,0,0,0|2,0,0]=4 1070 B15R1.888 CC(O)CCCSc1cc(c(cn1)F)O 62a_200000718107_100009854642 [0,2,0,0,0,0|2,0,0]=4 1071 B15R1.888 CC(O)CCNCc1c[nH]c(=O)c(c1)Cl 207a_200000755665_100000051075 [0,2,0,0,0,0|2,0,0]=4 1072 B15R1.888 CC(O)CCNCc1c[nH]c(=O)c(c1)Cl 270004a_200000755665_100000051075 [0,2,0,0,0,0|2,0,0]=4 1073 B15R1.888 Cc1cc(n[nH]c1=O)SCCCC(C)C 62a_100011214892_100012187101 [0,2,0,0,0,0|2,0,0]=4 1074 B15R1.888 Cc1cc(n[nH]c1=O)SCCCC(C)O 62a_200000718107_100012187101 [0,2,0,0,0,0|1,0,0]=3 1075 B15R1.888 Cc1cnc(cc1O)SCCCC(C)O 62a_100000704368_200000718107 [0,2,0,0,0,0|2,0,0]=4 1076 B15R1.888 Cc1cnc(cc1O)SCCCC(C)O 62a_200000718107_100000704368 [0,2,0,0,0,0|2,0,0]=4 1077 B15R1.3908 CCCCC(C)Sc1c[nH]c(=O)c(c1)O 62a_200011215066_100009814561 [0,2,0,0,0,0|2,0,0]=4 1078 B15R1.3908 CCCCC(C)Sc1cc(c(=O)[nH]n1)C 62a_200011215066_100012187101 [0,2,0,0,0,0|2,0,0]=4 1079 B15R1.3908 CCCCC(C)Sc1cc(c(=O)[nH]n1)N 62a_200011215066_100000102183 [0,2,0,0,0,0|2,0,0]=4 1080 B15R1.3908 CN(CCCO)Cc1c[nH]c(=O)c(c1)Cl 270004a_100000213112_100000051075 [0,2,0,0,0,0|2,0,0]=4 1081 B15R1.9499 Cc1[nH]c(=O)c(cc1SCCCCO)N 62a_100000210776_100010126670 [0,2,0,0,0,0|2,0,0]=4 1082 B15R1.9499 Cc1[nH]c(=O)c(cc1SCCCCO)N 62a_100010126670_100000210776 [0,2,0,0,0,0|2,0,0]=4 1083 B15R1.9500 Cc1c(c[nH]c(=O)c1N)SCCCCO 62a_100000210776_100010163742 [0,2,0,0,0,0|2,0,0]=4 1084 B15R1.9500 Cc1c(c[nH]c(=O)c1N)SCCCCO 62a_100010163742_100000210776 [0,2,0,0,0,0|2,0,0]=4 1085 B15R1.10390 CCCC(C)CSc1c[nH]c(=O)c(c1)O 62a_100011216630_100009814561 [0,2,0,0,0,0|2,0,0]=4 1086 B15R1.10390 CCCC(C)CSc1cc(c(=O)[nH]n1)C 62a_100011216630_100012187101 [0,2,0,0,0,0|2,0,0]=4 1087 B15R1.10390 CCCC(C)CSc1cc(c(=O)[nH]n1)N 62a_100011216630_100000102183 [0,2,0,0,0,0|2,0,0]=4 1088 B15R1.10390 COCC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011215053_100009814561 [0,2,0,0,0,0|2,0,0]=4 1089 B15R1.10390 COCC(O)CSc1cc(c(=O)[nH]n1)C 62a_100011215053_100012187101 [0,2,0,0,0,0|2,0,0]=4 1090 B15R1.10390 COCC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011215053_100000102183 [0,2,0,0,0,0|2,0,0]=4 1091 B15R1.10390 C[C@H](CCO)NCc1c[nH]c(=O)c(c1)Cl 207a_100000706166_100000051075 [0,2,0,0,0,0|2,0,0]=4 1092 B15R1.10390 C[C@H](CCO)NCc1c[nH]c(=O)c(c1)Cl 270004a_100000706166_100000051075 [0,2,0,0,0,0|2,0,0]=4 1093 B15R1.11630 CC(CO)CNCc1c[nH]c(=O)c(c1)Cl 207a_100000744482_100000051075 [0,2,0,0,0,0|2,0,0]=4 1094 B15R1.11630 O=c1[nH]cc(cc1Cl)CNC[C@@H](F)CO 207a_100015665980_100000051075 [0,2,0,0,0,0|2,0,0]=4 1095 B15R1.11630 O=c1[nH]cc(cc1Cl)CNC[C@@H](F)CO 270004a_100015665980_100000051075 [0,2,0,0,0,0|2,0,0]=4 1096 B15R1.11630 O=c1[nH]cc(cc1Cl)CNC[C@H](O)CO 207a_100020644852_100000051075 [0,2,0,0,0,0|2,0,0]=4 1097 B15R1.12032 C#CCCCCSc1c[nH]c(=O)c(c1)O 62a_100010269958_100009814561 [0,2,0,0,0,0|2,0,0]=4 1098 B15R1.12032 C#CCCCCSc1cc(c(=O)[nH]n1)C 62a_100010269958_100012187101 [0,2,0,0,0,0|2,0,0]=4 1099 B15R1.12032 C#CCCCCSc1cc(c(=O)[nH]n1)N 62a_100010269958_100000102183 [0,2,0,0,0,0|2,0,0]=4 1100 B15R1.12032 C=CCCCCSc1c[nH]c(=O)c(c1)O 62a_100011215482_100009814561 [0,2,0,0,0,0|2,0,0]=4 1101 B15R1.12032 C=CCCCCSc1cc(c(=O)[nH]n1)C 62a_100011215482_100012187101 [0,2,0,0,0,0|2,0,0]=4 1102 B15R1.12032 C=CCCCCSc1cc(c(=O)[nH]n1)N 62a_100011215482_100000102183 [0,2,0,0,0,0|2,0,0]=4 1103 B15R1.12032 CCCCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100000062253_100009814561 [0,2,0,0,0,0|2,0,0]=4 1104 B15R1.12032 CCCCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100000062253_100012187101 [0,2,0,0,0,0|2,0,0]=4 1105 B15R1.12032 CCCCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100000062253_100000102183 [0,2,0,0,0,0|2,0,0]=4 1106 B15R1.12032 CCCCCCSc1c[nH]c(=O)c(c1)O 62a_100000210314_100009814561 [0,2,0,0,0,0|2,0,0]=4 1107 B15R1.12032 CCCCCCSc1cc(c(=O)[nH]n1)C 62a_100000210314_100012187101 [0,2,0,0,0,0|2,0,0]=4 1108 B15R1.12032 CCCCCCSc1cc(c(=O)[nH]n1)N 62a_100000210314_100000102183 [0,2,0,0,0,0|2,0,0]=4 1109 B15R1.12032 CCCCOCSc1c[nH]c(=O)c(c1)O 62a_100011995733_100009814561 [0,2,0,0,0,0|2,0,0]=4 1110 B15R1.12032 CCCCOCSc1cc(c(=O)[nH]n1)C 62a_100011995733_100012187101 [0,2,0,0,0,0|2,0,0]=4 1111 B15R1.12032 CCCCOCSc1cc(c(=O)[nH]n1)N 62a_100011995733_100000102183 [0,2,0,0,0,0|2,0,0]=4 1112 B15R1.12032 CCCOCCSc1c[nH]c(=O)c(c1)O 62a_100011215938_100009814561 [0,2,0,0,0,0|2,0,0]=4 1113 B15R1.12032 CCCOCCSc1cc(c(=O)[nH]n1)C 62a_100011215938_100012187101 [0,2,0,0,0,0|2,0,0]=4 1114 B15R1.12032 CCCOCCSc1cc(c(=O)[nH]n1)N 62a_100011215938_100000102183 [0,2,0,0,0,0|2,0,0]=4 1115 B15R1.12032 CCOCCCSc1c[nH]c(=O)c(c1)O 62a_100012232248_100009814561 [0,2,0,0,0,0|2,0,0]=4 1116 B15R1.12032 CCOCCCSc1cc(c(=O)[nH]n1)C 62a_100012232248_100012187101 [0,2,0,0,0,0|2,0,0]=4 1117 B15R1.12032 CCOCCCSc1cc(c(=O)[nH]n1)N 62a_100012232248_100000102183 [0,2,0,0,0,0|2,0,0]=4 1118 B15R1.12032 COCCCCSc1c[nH]c(=O)c(c1)Br 62a_100000730899_100010125443 [0,2,0,0,0,0|2,0,0]=4 1119 B15R1.12032 COCCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000730899 [0,2,0,0,0,0|2,0,0]=4 1120 B15R1.12032 COCCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000730899 [0,2,0,0,0,0|2,0,0]=4 1121 B15R1.12032 COCCCCSc1c[nH]c(=O)c(c1)F 62a_100000730899_100000723523 [0,2,0,0,0,0|2,0,0]=4 1122 B15R1.12032 COCCCCSc1c[nH]c(=O)c(c1)O 62a_100000730899_100009814561 [0,2,0,0,0,0|1,0,0]=3 1123 B15R1.12032 COCCCCSc1cc(c(=O)[nH]n1)C 62a_100000730899_100012187101 [0,2,0,0,0,0|1,0,0]=3 1124 B15R1.12032 COCCCCSc1cc(c(=O)[nH]n1)N 62a_100000730899_100000102183 [0,2,0,0,0,0|1,0,0]=3 1125 B15R1.12032 COCCCCSc1cc(c(cn1)C)O 62a_100000704368_100000730899 [0,2,0,0,0,0|2,0,0]=4 1126 B15R1.12032 COCCCCSc1cc(c(cn1)C)O 62a_100000730899_100000704368 [0,2,0,0,0,0|2,0,0]=4 1127 B15R1.12032 COCCCCSc1cc(c(cn1)F)O 62a_100000730899_100009854642 [0,2,0,0,0,0|2,0,0]=4 1128 B15R1.12032 COCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000730899 [0,2,0,0,0,0|2,0,0]=4 1129 B15R1.12032 COCCCNCc1c[nH]c(=O)c(c1)Cl 207a_100150723488_100000051075 [0,2,0,0,0,0|2,0,0]=4 1130 B15R1.12032 COCCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100150723488_100000051075 [0,2,0,0,0,0|2,0,0]=4 1131 B15R1.12032 COCCOCSc1c[nH]c(=O)c(c1)O 62a_100000231047_100009814561 [0,2,0,0,0,0|2,0,0]=4 1132 B15R1.12032 COCCOCSc1cc(c(=O)[nH]n1)C 62a_100000231047_100012187101 [0,2,0,0,0,0|2,0,0]=4 1133 B15R1.12032 COCCOCSc1cc(c(=O)[nH]n1)N 62a_100000231047_100000102183 [0,2,0,0,0,0|2,0,0]=4 1134 B15R1.12032 Cc1cc(n[nH]c1=O)SCCCCC#N 62a_100011219923_100012187101 [0,2,0,0,0,0|2,0,0]=4 1135 B15R1.12032 Cc1cc(n[nH]c1=O)SCCCCC=O 62a_100000139335_100012187101 [0,2,0,0,0,0|1,0,1]=4 1136 B15R1.12032 Cc1cc(n[nH]c1=O)SCCCCCF 62a_100000729378_100012187101 [0,2,0,0,0,0|2,0,0]=4 1137 B15R1.12032 Cc1cc(n[nH]c1=O)SCCCCCO 62a_100000746330_100012187101 [0,2,0,0,0,0|1,0,0]=3 1138 B15R1.12032 Cc1cc(n[nH]c1=O)SCCOCCO 62a_100011215305_100012187101 [0,2,0,0,0,0|1,0,0]=3 1139 B15R1.12032 Cc1cnc(cc1O)SCCCCCO 62a_100000704368_100000746330 [0,2,0,0,0,0|2,0,0]=4 1140 B15R1.12032 Cc1cnc(cc1O)SCCCCCO 62a_100000746330_100000704368 [0,2,0,0,0,0|2,0,0]=4 1141 B15R1.12032 Cc1cnc(cc1O)SCCOCCO 62a_100000704368_100011215305 [0,2,0,0,0,0|2,0,0]=4 1142 B15R1.12032 Cc1cnc(cc1O)SCCOCCO 62a_100011215305_100000704368 [0,2,0,0,0,0|2,0,0]=4 1143 B15R1.12032 N#CCCCCSc1c[nH]c(=O)c(c1)O 62a_100011219923_100009814561 [0,2,0,0,0,0|2,0,0]=4 1144 B15R1.12032 N#CCCCCSc1cc(c(=O)[nH]n1)N 62a_100011219923_100000102183 [0,2,0,0,0,0|2,0,0]=4 1145 B15R1.12032 Nc1cc(n[nH]c1=O)SCCCCC=O 62a_100000139335_100000102183 [0,2,0,0,0,0|1,0,1]=4 1146 B15R1.12032 Nc1cc(n[nH]c1=O)SCCCCCF 62a_100000729378_100000102183 [0,2,0,0,0,0|2,0,0]=4 1147 B15R1.12032 Nc1cc(n[nH]c1=O)SCCCCCO 62a_100000746330_100000102183 [0,2,0,0,0,0|1,0,0]=3 1148 B15R1.12032 Nc1cc(n[nH]c1=O)SCCOCCO 62a_100011215305_100000102183 [0,2,0,0,0,0|1,0,0]=3 1149 B15R1.12032 O=CCCCCSc1c[nH]c(=O)c(c1)O 62a_100000139335_100009814561 [0,2,0,0,0,0|1,0,1]=4 1150 B15R1.12032 O=c1[nH]cc(cc1Br)SCCCCCO 62a_100000746330_100010125443 [0,2,0,0,0,0|2,0,0]=4 1151 B15R1.12032 O=c1[nH]cc(cc1Br)SCCCCCO 62a_100010125443_100000746330 [0,2,0,0,0,0|2,0,0]=4 1152 B15R1.12032 O=c1[nH]cc(cc1Br)SCCOCCO 62a_100010125443_100011215305 [0,2,0,0,0,0|2,0,0]=4 1153 B15R1.12032 O=c1[nH]cc(cc1Br)SCCOCCO 62a_100011215305_100010125443 [0,2,0,0,0,0|2,0,0]=4 1154 B15R1.12032 O=c1[nH]cc(cc1Cl)CNCCCCO 207a_100000750430_100000051075 [0,2,0,0,0,0|2,0,0]=4 1155 B15R1.12032 O=c1[nH]cc(cc1Cl)CNCCCCO 270004a_100000750430_100000051075 [0,2,0,0,0,0|2,0,0]=4 1156 B15R1.12032 O=c1[nH]cc(cc1F)SCCCCCO 62a_100000723523_100000746330 [0,2,0,0,0,0|2,0,0]=4 1157 B15R1.12032 O=c1[nH]cc(cc1F)SCCCCCO 62a_100000746330_100000723523 [0,2,0,0,0,0|2,0,0]=4 1158 B15R1.12032 O=c1[nH]cc(cc1F)SCCOCCO 62a_100000723523_100011215305 [0,2,0,0,0,0|2,0,0]=4 1159 B15R1.12032 O=c1[nH]cc(cc1F)SCCOCCO 62a_100011215305_100000723523 [0,2,0,0,0,0|2,0,0]=4 1160 B15R1.12032 O=c1[nH]cc(cc1O)SCCCCCF 62a_100000729378_100009814561 [0,2,0,0,0,0|2,0,0]=4 1161 B15R1.12032 O=c1[nH]cc(cc1O)SCCCCCO 62a_100000746330_100009814561 [0,2,0,0,0,0|1,0,0]=3 1162 B15R1.12032 O=c1[nH]cc(cc1O)SCCOCCO 62a_100011215305_100009814561 [0,2,0,0,0,0|1,0,0]=3 1163 B15R1.12032 OCCCCCSc1cc(c(cn1)F)O 62a_100000746330_100009854642 [0,2,0,0,0,0|2,0,0]=4 1164 B15R1.12032 OCCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000746330 [0,2,0,0,0,0|2,0,0]=4 1165 B15R1.12032 OCCOCCSc1cc(c(cn1)F)O 62a_100009854642_100011215305 [0,2,0,0,0,0|2,0,0]=4 1166 B15R1.12032 OCCOCCSc1cc(c(cn1)F)O 62a_100011215305_100009854642 [0,2,0,0,0,0|2,0,0]=4 1167 B15R1.887 CC(C)(O)CCSc1c[nH]c(=O)c(c1)O 62a_100000702414_100009814561 [0,2,0,0,0,0|2,0,0]=4 1168 B15R1.887 CC(C)(O)CCSc1cc(c(=O)[nH]n1)N 62a_100000702414_100000102183 [0,2,0,0,0,0|2,0,0]=4 1169 B15R1.887 Cc1cc(n[nH]c1=O)SCCC(C)(C)O 62a_100000702414_100012187101 [0,2,0,0,0,0|2,0,0]=4 1170 B15R1.4030 COc1cc(c[nH]c1=O)SCCC(C)O 62a_100012276601_100010125397 [0,2,0,0,0,0|2,0,0]=4 1171 B15R1.4039 COc1cc(c[nH]c1=O)SCC(O)CO 62a_100011219619_100010125397 [0,2,0,0,0,0|2,0,0]=4 1172 B15R1.4039 COc1cc(c[nH]c1=O)SC[C@@H](C)CO 62a_100000059175_100010125397 [0,2,0,0,0,0|2,0,0]=4 1173 B15R1.4039 COc1cc(c[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100010125397 [0,2,0,0,0,0|2,0,0]=4 1174 B15R1.7791 CC(C)(CO)CSc1c[nH]c(=O)c(c1)O 62a_100009813988_100009814561 [0,2,0,0,0,0|2,0,0]=4 1175 B15R1.7791 CC(C)(CO)CSc1cc(c(=O)[nH]n1)N 62a_100009813988_100000102183 [0,2,0,0,0,0|2,0,0]=4 1176 B15R1.7791 Cc1cc(n[nH]c1=O)SCC(C)(C)CO 62a_100009813988_100012187101 [0,2,0,0,0,0|2,0,0]=4 1177 B15R1.1195 COc1cc(ncc1C=O)SCCCO 62a_100009846838_100011215043 [0,2,0,0,0,0|2,0,0]=4 1178 B15R1.1195 COc1cc(ncc1C=O)SCCCO 62a_100011215043_100009846838 [0,2,0,0,0,0|2,0,0]=4 1179 B15R1.1277 COc1cc(c[nH]c1=O)SC(C)CCO 62a_100009893172_100010125397 [0,2,0,0,0,0|2,0,0]=4 1180 B13R1.658 CCCCCc1noc(n1)C(=O)N 270196a_200011207956_100011215815 [0,0,1,1,0,0|2,0,0]=4 1181 B13R1.658 CCCCSc1cc(on1)C(=O)N 62a_100000210211_100010589868 [0,0,1,1,0,0|2,0,0]=4 1182 B13R1.658 CCCCSc1cc(on1)C(=O)N 62a_100010589868_100000210210 [0,0,1,1,0,0|2,0,0]=4 1183 B13R1.658 NC(=O)c1cc(co1)SCCCO 62a_100011215043_200009817131 [0,0,1,1,0,0|2,0,0]=4 1184 B13R1.658 NC(=O)c1cc(co1)SCCCO 62a_200009817131_100011215043 [0,0,1,1,0,0|2,0,0]=4 1185 B13R1.658 NC(=O)c1cc(no1)SCCCF 62a_100010589868_100011934791 [0,0,1,1,0,0|2,0,0]=4 1186 B13R1.658 NC(=O)c1cc(no1)SCCCF 62a_100011934791_100010589868 [0,0,1,1,0,0|2,0,0]=4 1187 B13R1.658 NC(=O)c1cc(no1)SCCCO 62a_100010589868_100011215043 [0,0,1,1,0,0|1,0,0]=3 1188 B13R1.658 NC(=O)c1cc(no1)SCCCO 62a_100011215043_100010589868 [0,0,1,1,0,0|1,0,0]=3 1189 B13R1.658 NC(=O)c1cn(nn1)CCCCO 274090a_100000210776_100011470575 [0,0,1,1,0,0|2,0,0]=4 1190 B13R1.169 NC(=O)C(=O)NN=C1CCCC1O 4a_100000211141_200000719330 [0,0,1,1,0,0|1,0,1]=4 1191 B13R2.12 O=c1ccc(n[nH]1)C2=CCCC2 271570a_100000089523_100009820020 [1,0,0,1,0,0|1,0,1]=4 1192 B13R2.527 O=c1ccc(c[nH]1)OCC2CO2 34a_100000075641_102125554688 [1,0,0,1,0,0|2,0,0]=4 1193 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_100000212171_102125554688 [1,0,0,1,0,0|2,0,0]=4 1194 B13R2.527 O=c1ccc(c[nH]1)SCC2CO2 62a_102125554688_100000212171 [1,0,0,1,0,0|2,0,0]=4 1195 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000212171_100000745022 [1,0,0,1,0,0|2,0,0]=4 1196 B13R2.527 O=c1ccc(c[nH]1)SC[C@@H]2CO2 62a_100000745022_100000212171 [1,0,0,1,0,0|2,0,0]=4 1197 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100000756562_100009820020 [1,0,0,1,0,0|2,0,0]=4 1198 B13R2.527 O=c1ccc(n[nH]1)SCC2CC2 62a_100009820020_100000742324 [1,0,0,1,0,0|2,0,0]=4 1199 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_100009820020_102125554688 [1,0,0,1,0,0|1,0,0]=3 1200 B13R2.527 O=c1ccc(n[nH]1)SCC2CO2 62a_102125554688_100009820020 [1,0,0,1,0,0|1,0,0]=3 1201 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100000031435_100009820020 [1,0,0,1,0,0|1,1,0]=4 1202 B13R2.527 O=c1ccc(n[nH]1)SCC2CS2 62a_100009820020_100000031435 [1,0,0,1,0,0|1,1,0]=4 1203 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100000745022_100009820020 [1,0,0,1,0,0|1,0,0]=3 1204 B13R2.527 O=c1ccc(n[nH]1)SC[C@@H]2CO2 62a_100009820020_100000745022 [1,0,0,1,0,0|1,0,0]=3 1205 B13R2.1069 O=c1ccc(n[nH]1)SC2CCC2 62a_100009820020_100000749161 [1,0,0,1,0,0|2,0,0]=4 1206 B13R2.13 Oc1ccnc(c1)C2OCCO2 271570a_203496583355_100010879467 [1,0,0,1,0,0|2,0,0]=4 1207 B13R2.4820 Oc1cccc2c1OCCCC2 271570a_203496583355_100010333594 [1,0,0,1,0,0|2,0,0]=4 1208 B13R2.5331 Oc1ccnc(c1)SCC2CO2 62a_102125554688_100000762945 [1,0,0,1,0,0|2,0,0]=4 1209 B13R2.5331 Oc1ccnc(c1)SC[C@@H]2CO2 62a_100000745022_100000762945 [1,0,0,1,0,0|2,0,0]=4 1210 B13R2.5331 Oc1cnnc(c1)SCC2CO2 62a_102125554688_200010734679 [1,0,0,1,0,0|1,0,1]=4 1211 B13R2.5331 Oc1cnnc(c1)SC[C@@H]2CO2 62a_100000745022_200010734679 [1,0,0,1,0,0|1,0,1]=4 1212 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_100010988966_102125554688 [0,1,0,1,0,0|2,0,0]=4 1213 B15R2.152902 Cc1cc(nn(c1=O)C)SCC2CO2 62a_102125554688_100010988966 [0,1,0,1,0,0|2,0,0]=4 1214 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100000745022_100010988966 [0,1,0,1,0,0|2,0,0]=4 1215 B15R2.152902 Cc1cc(nn(c1=O)C)SC[C@@H]2CO2 62a_100010988966_100000745022 [0,1,0,1,0,0|2,0,0]=4 1216 B15R2.92 Cc1cc(n[nH]c1=O)SC2CCCC2 62a_100011217020_100012187101 [0,1,0,1,0,0|2,0,0]=4 1217 B15R2.92 Nc1cc(n[nH]c1=O)SC2CCCC2 62a_100011217020_100000102183 [0,1,0,1,0,0|2,0,0]=4 1218 B15R2.92 O=c1[nH]cc(cc1O)SC2CCCC2 62a_100011217020_100009814561 [0,1,0,1,0,0|2,0,0]=4 1219 B15R2.94 Cc1cc(n[nH]c1=O)C2=CCCCC2 271570a_100000062251_100012187101 [0,1,0,1,0,0|2,0,0]=4 1220 B15R2.94 Cc1cc(n[nH]c1=O)C2=CCCCO2 271570a_100010177797_100012187101 [0,1,0,1,0,0|1,0,1]=4 1221 B15R2.94 Cc1cc(n[nH]c1=O)C2=COCCC2 271570a_100010175576_100012187101 [0,1,0,1,0,0|1,0,1]=4 1222 B15R2.94 Nc1cc(n[nH]c1=O)C2=CCCCC2 271570a_100000062251_100000102183 [0,1,0,1,0,0|2,0,0]=4 1223 B15R2.94 Nc1cc(n[nH]c1=O)C2=CCCCO2 271570a_100010177797_100000102183 [0,1,0,1,0,0|1,0,1]=4 1224 B15R2.94 Nc1cc(n[nH]c1=O)C2=COCCC2 271570a_100010175576_100000102183 [0,1,0,1,0,0|1,0,1]=4 1225 B15R2.94 O=c1[nH]cc(cc1O)C2=CCCCC2 271570a_100000062251_100009814561 [0,1,0,1,0,0|2,0,0]=4 1226 B15R2.94 O=c1[nH]cc(cc1O)C2=CCCCO2 271570a_100010177797_100009814561 [0,1,0,1,0,0|1,0,1]=4 1227 B15R2.94 O=c1[nH]cc(cc1O)C2=COCCC2 271570a_100010175576_100009814561 [0,1,0,1,0,0|1,0,1]=4 1228 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100012187101 [0,1,0,1,0,0|2,0,0]=4 1229 B15R2.18906 Cc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100012187101 [0,1,0,1,0,0|1,0,0]=3 1230 B15R2.18906 Cc1cnc(cc1O)SCCC2CO2 62a_100000704368_100000732470 [0,1,0,1,0,0|2,0,0]=4 1231 B15R2.18906 Cc1cnc(cc1O)SCCC2CO2 62a_100000732470_100000704368 [0,1,0,1,0,0|2,0,0]=4 1232 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CC2 62a_100000764125_100000102183 [0,1,0,1,0,0|2,0,0]=4 1233 B15R2.18906 Nc1cc(n[nH]c1=O)SCCC2CO2 62a_100000732470_100000102183 [0,1,0,1,0,0|1,0,0]=3 1234 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CO2 62a_100000732470_100010125443 [0,1,0,1,0,0|2,0,0]=4 1235 B15R2.18906 O=c1[nH]cc(cc1Br)SCCC2CO2 62a_100010125443_100000732470 [0,1,0,1,0,0|2,0,0]=4 1236 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CO2 62a_100000723523_100000732470 [0,1,0,1,0,0|2,0,0]=4 1237 B15R2.18906 O=c1[nH]cc(cc1F)SCCC2CO2 62a_100000732470_100000723523 [0,1,0,1,0,0|2,0,0]=4 1238 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CC2 62a_100000764125_100009814561 [0,1,0,1,0,0|2,0,0]=4 1239 B15R2.18906 O=c1[nH]cc(cc1O)SCCC2CO2 62a_100000732470_100009814561 [0,1,0,1,0,0|1,0,0]=3 1240 B15R2.18906 Oc1cc(ncc1F)SCCC2CO2 62a_100000732470_100009854642 [0,1,0,1,0,0|2,0,0]=4 1241 B15R2.18906 Oc1cc(ncc1F)SCCC2CO2 62a_100009854642_100000732470 [0,1,0,1,0,0|2,0,0]=4 1242 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100012187101 [0,1,0,1,0,0|2,0,0]=4 1243 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100012187101 [0,1,0,1,0,0|1,0,0]=3 1244 B15R2.18973 Cc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100012187101 [0,1,0,1,0,0|2,0,0]=4 1245 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000103362_100000704368 [0,1,0,1,0,0|2,0,0]=4 1246 B15R2.18973 Cc1cnc(cc1O)SCC2CCO2 62a_100000704368_100000103362 [0,1,0,1,0,0|2,0,0]=4 1247 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCC2 62a_100000763275_100000102183 [0,1,0,1,0,0|2,0,0]=4 1248 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2CCO2 62a_100000103362_100000102183 [0,1,0,1,0,0|1,0,0]=3 1249 B15R2.18973 Nc1cc(n[nH]c1=O)SCC2COC2 62a_100010264016_100000102183 [0,1,0,1,0,0|2,0,0]=4 1250 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100000103362_100010125443 [0,1,0,1,0,0|2,0,0]=4 1251 B15R2.18973 O=c1[nH]cc(cc1Br)SCC2CCO2 62a_100010125443_100000103362 [0,1,0,1,0,0|2,0,0]=4 1252 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000103362_100000723523 [0,1,0,1,0,0|2,0,0]=4 1253 B15R2.18973 O=c1[nH]cc(cc1F)SCC2CCO2 62a_100000723523_100000103362 [0,1,0,1,0,0|2,0,0]=4 1254 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCC2 62a_100000763275_100009814561 [0,1,0,1,0,0|2,0,0]=4 1255 B15R2.18973 O=c1[nH]cc(cc1O)SCC2CCO2 62a_100000103362_100009814561 [0,1,0,1,0,0|1,0,0]=3 1256 B15R2.18973 O=c1[nH]cc(cc1O)SCC2COC2 62a_100010264016_100009814561 [0,1,0,1,0,0|2,0,0]=4 1257 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100000103362_100009854642 [0,1,0,1,0,0|2,0,0]=4 1258 B15R2.18973 Oc1cc(ncc1F)SCC2CCO2 62a_100009854642_100000103362 [0,1,0,1,0,0|2,0,0]=4 1259 B15R2.1524 CC1(CO1)CSc2c[nH]c(=O)c(c2)O 62a_100000760498_100009814561 [0,1,0,1,0,0|2,0,0]=4 1260 B15R2.1524 CC1(CO1)CSc2cc(c(=O)[nH]n2)N 62a_100000760498_100000102183 [0,1,0,1,0,0|2,0,0]=4 1261 B15R2.1524 Cc1cc(n[nH]c1=O)SCC2(CO2)C 62a_100000760498_100012187101 [0,1,0,1,0,0|2,0,0]=4 1262 B15R2.4522 COc1cc(c[nH]c1=O)SCC2CO2 62a_102125554688_100010125397 [0,1,0,1,0,0|2,0,0]=4 1263 B15R2.4522 COc1cc(c[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100010125397 [0,1,0,1,0,0|2,0,0]=4 1264 B11R1.27 Cc1cc(n[nH]1)SCCCO 62a_100009819999_100011215043 [1,0,0,0,1,0|2,0,0]=4 1265 B11R1.27 Cc1cc(n[nH]1)SCCCO 62a_100011215043_100009819999 [1,0,0,0,1,0|2,0,0]=4 1266 B11R1.27 Nc1cc(n[nH]1)SCCCO 62a_100009822546_100011215043 [1,0,0,0,1,0|2,0,0]=4 1267 B11R1.27 Nc1cc(n[nH]1)SCCCO 62a_100011215043_100009822546 [1,0,0,0,1,0|2,0,0]=4 1268 B11R1.27 O=c1[nH]nc([nH]1)CNCCO 2230a_100000766346_100000211926 [1,0,0,0,1,0|2,0,0]=4 1269 B11R1.27 O=c1[nH]nc([nH]1)CNCCO 2230a_100016997473_100000754189 [1,0,0,0,1,0|2,0,0]=4 1270 B11R1.27 O=c1[nH]nc([nH]1)CSCCO 62a_100000211926_100000754189 [1,0,0,0,1,0|2,0,0]=4 1271 B11R1.180 Cc1c[nH]nc1SCCCO 62a_100009871783_100011215043 [1,0,0,0,1,0|2,0,0]=4 1272 B11R1.180 Cc1c[nH]nc1SCCCO 62a_100011215043_100009871783 [1,0,0,0,1,0|2,0,0]=4 1273 B11R1.180 Nc1c[nH]nc1SCCCO 62a_100010894806_100011215043 [1,0,0,0,1,0|2,0,0]=4 1274 B11R1.180 Nc1c[nH]nc1SCCCO 62a_100011215043_100010894806 [1,0,0,0,1,0|2,0,0]=4 1275 B11R1.180 OCCCSc1n[nH]cc1Br 62a_100011215043_100015839836 [1,0,0,0,1,0|2,0,0]=4 1276 B11R1.180 OCCCSc1n[nH]cc1Br 62a_100015839836_100011215043 [1,0,0,0,1,0|2,0,0]=4 1277 B11R1.180 OCCNCc1n[nH]cc1Cl 207a_100000210304_100000040271 [1,0,0,0,1,0|2,0,0]=4 1278 B11R1.180 OCCNCc1n[nH]cc1Cl 270004a_100000210304_100000040271 [1,0,0,0,1,0|2,0,0]=4 1279 B11R1.212 CCCCc1n[nH]c(c1C)C 271570a_100020621405_100015309786 [1,0,0,0,1,0|2,0,0]=4