0 B12R1.385 C#CCSc1c[nH]c(=O)c(c1)O 62a_100000038162_100009814561 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.385 C#CCSc1cc(c(=O)[nH]n1)C 62a_100000038162_100012187101 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.385 C#CCSc1cc(c(=O)[nH]n1)N 62a_100000038162_100000102183 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.385 C=CCSc1cc(c(=O)[nH]n1)C 62a_100000210623_100012187101 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.385 C=CCSc1cc(c(=O)[nH]n1)N 62a_100000210623_100000102183 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.385 CCCCc1c[nH]c(=O)c(c1)Br 271570a_100020621405_100010125443 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.385 CCCCc1c[nH]c(=O)c(c1)F 271570a_100020621405_100000723523 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.385 CCCCc1c[nH]c(=O)c(c1)O 271570a_100020621405_100009814561 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.385 CCCCc1c[nH]c(=O)c(n1)C 271570a_100020621405_100010363809 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.385 CCCCc1cc(=O)n(cn1)C 271570a_100020621405_100012179353 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.385 CCCCc1cc(c(=O)[nH]n1)C 271570a_100020621405_100012187101 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.385 CCCCc1cc(c(=O)[nH]n1)N 271570a_100020621405_100000102183 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.385 CCCCc1cc(c(cn1)Br)C 271570a_100020621405_100012356354 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.385 CCCCc1cc(c(cn1)C)C 271570a_100020621405_100009850809 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.385 CCCCc1cc(c(cn1)C)F 271570a_100020621405_100009841206 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.385 CCCCc1cc(c(cn1)C)N 271570a_100020621405_100000690170 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.385 CCCCc1cc(c(cn1)C)O 271570a_100020621405_100000704368 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.385 CCCCc1cc(c(cn1)F)C 271570a_100020621405_100009818257 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.385 CCCCc1cc(c(cn1)F)N 271570a_100020621405_100000126464 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.385 CCCCc1cc(c(cn1)F)O 271570a_100020621405_100009854642 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.385 CCCCc1cc(c(cn1)N)C 271570a_100020621405_100000765520 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.385 CCCCc1cc(c(cn1)N)N 271570a_100020621405_100000067514 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.385 CCCCc1cc(c(cn1)O)C 271570a_100020621405_100000692680 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.385 CCCCc1cc(c(cn1)O)N 271570a_100020621405_100009819941 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.385 CCCCc1cc(c(nn1)N)C 271570a_100020621405_100153394926 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.385 CCCCc1ccc(=O)n(c1)C 271570a_100020621405_100011245003 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.385 CCCCc1ccc(c(n1)O)F 271570a_100020621405_100010729010 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.385 CCCCc1ccc(c(n1)O)N 271570a_100020621405_100000718904 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.385 CCCCc1cn(c(=O)cn1)C 271570a_100020621405_100009843036 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.385 CCCCc1cnc(=O)n(c1)C 271570a_100020621405_100009819886 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.385 CCCCc1cnc(c(c1)Br)Cl 271570a_100020621405_100010172733 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.385 CCCCc1cnc(c(c1)Br)N 271570a_100020621405_100012353989 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.385 CCCCc1cnc(c(c1)C)Br 271570a_100020621405_100009816107 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.385 CCCCc1cnc(c(c1)C)C 271570a_100020621405_100000697892 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.385 CCCCc1cnc(c(c1)C)Cl 271570a_100020621405_100009922867 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.385 CCCCc1cnc(c(c1)C)F 271570a_100020621405_100000709442 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.385 CCCCc1cnc(c(c1)C)N 271570a_100020621405_100000186686 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.385 CCCCc1cnc(c(c1)C)O 271570a_100020621405_100000685391 [0,0,0,0,0,0|2,0,2]=4 75 B12R1.385 CCCCc1cnc(c(c1)Cl)N 271570a_100020621405_100012356299 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.385 CCCCc1cnc(c(c1)Cl)O 271570a_100020621405_100010238531 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.385 CCCCc1cnc(c(c1)F)C 271570a_100020621405_100009845756 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.385 CCCCc1cnc(c(c1)F)F 271570a_100020621405_100009817721 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.385 CCCCc1cnc(c(c1)F)N 271570a_100020621405_100000693161 [0,0,0,0,0,0|3,0,1]=4 80 B12R1.385 CCCCc1cnc(c(c1)N)C 271570a_100020621405_100011999542 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.385 CCCCc1cnc(c(c1)N)Cl 271570a_100020621405_100009828400 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.385 CCCCc1cnc(c(c1)N)F 271570a_100020621405_100009816798 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.385 CCCCc1cnc(c(c1)N)N 271570a_100020621405_100000184470 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.385 CCCCc1cnc(c(c1)N)O 271570a_100020621405_100000743729 [0,0,0,0,0,0|2,0,2]=4 85 B12R1.385 CCCCc1cnc(c(c1)O)C 271570a_100020621405_100009864810 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.385 CCCCc1cnc(c(c1)O)F 271570a_100020621405_100009819871 [0,0,0,0,0,0|2,0,1]=3 87 B12R1.385 CCCCc1cnc(c(c1)O)N 271570a_100020621405_100009819042 [0,0,0,0,0,0|2,0,1]=3 88 B12R1.385 CCCCc1ncc(c(n1)C)Cl 271570a_100020621405_100010174973 [0,0,0,0,0,0|4,0,0]=4 89 B12R1.385 CCCCc1ncc(c(n1)C)F 271570a_100020621405_100015641512 [0,0,0,0,0,0|4,0,0]=4 90 B12R1.385 CCCCc1ncc(c(n1)C)N 271570a_100020621405_100000123670 [0,0,0,0,0,0|4,0,0]=4 91 B12R1.385 CCCCc1ncc(c(n1)N)C 271570a_100020621405_100011996698 [0,0,0,0,0,0|4,0,0]=4 92 B12R1.385 CCCCc1ncc(c(n1)N)F 271570a_100020621405_100000185498 [0,0,0,0,0,0|4,0,0]=4 93 B12R1.385 CCCCc1ncc(c(n1)N)N 271570a_100020621405_100011933915 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.385 CCCCc1ncc(c(n1)O)F 271570a_100020621405_100011995740 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.385 CCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210303 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.385 CCCNc1ccc(c(c1)O)F 34a_100012017398_100000210303 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.385 CCCNc1ccc(c(c1)O)F 7a_100012017398_100000210303 [0,0,0,0,0,0|4,0,0]=4 100 B12R1.385 CCCNc1ccc(c(c1)O)O 34a_100102946323_100000210303 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.385 CCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210303 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.385 CCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210303 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.385 CCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210303 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.385 CCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210303 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.385 CCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210303 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100000210303_100010125443 [0,0,0,0,0,0|3,0,0]=3 107 B12R1.385 CCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210303 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000210303_100000723523 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.385 CCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210303 [0,0,0,0,0,0|3,0,0]=3 110 B12R1.385 CCCSc1c[nH]c(=O)c(c1)O 62a_100000210303_100009814561 [0,0,0,0,0,0|2,0,0]=2 111 B12R1.385 CCCSc1c[nH]c(=O)c(n1)C 62a_100000210303_100010363809 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.385 CCCSc1c[nH]c(=O)c(n1)C 62a_100010363809_100000210303 [0,0,0,0,0,0|4,0,0]=4 113 B12R1.385 CCCSc1cc(c(=O)[nH]n1)C 62a_100000210303_100012187101 [0,0,0,0,0,0|2,0,0]=2 114 B12R1.385 CCCSc1cc(c(=O)[nH]n1)N 62a_100000210303_100000102183 [0,0,0,0,0,0|2,0,0]=2 115 B12R1.385 CCCSc1cc(c(cn1)Br)C 62a_100000210303_100012356354 [0,0,0,0,0,0|4,0,0]=4 116 B12R1.385 CCCSc1cc(c(cn1)Br)C 62a_100012356354_100000210303 [0,0,0,0,0,0|4,0,0]=4 117 B12R1.385 CCCSc1cc(c(cn1)C)C 62a_100000210303_100009850809 [0,0,0,0,0,0|4,0,0]=4 118 B12R1.385 CCCSc1cc(c(cn1)C)C 62a_100009850809_100000210303 [0,0,0,0,0,0|4,0,0]=4 119 B12R1.385 CCCSc1cc(c(cn1)C)F 62a_100000210303_100009841206 [0,0,0,0,0,0|4,0,0]=4 120 B12R1.385 CCCSc1cc(c(cn1)C)F 62a_100009841206_100000210303 [0,0,0,0,0,0|4,0,0]=4 121 B12R1.385 CCCSc1cc(c(cn1)C)N 62a_100000126663_100000210303 [0,0,0,0,0,0|4,0,0]=4 122 B12R1.385 CCCSc1cc(c(cn1)C)N 62a_100000210303_100000126663 [0,0,0,0,0,0|4,0,0]=4 123 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000210303_100000704368 [0,0,0,0,0,0|3,0,0]=3 124 B12R1.385 CCCSc1cc(c(cn1)C)O 62a_100000704368_100000210303 [0,0,0,0,0,0|3,0,0]=3 125 B12R1.385 CCCSc1cc(c(cn1)F)C 62a_100000210303_100009818257 [0,0,0,0,0,0|4,0,0]=4 126 B12R1.385 CCCSc1cc(c(cn1)F)C 62a_100009818257_100000210303 [0,0,0,0,0,0|4,0,0]=4 127 B12R1.385 CCCSc1cc(c(cn1)F)N 62a_100000126464_100000210303 [0,0,0,0,0,0|4,0,0]=4 128 B12R1.385 CCCSc1cc(c(cn1)F)N 62a_100000210303_100000126464 [0,0,0,0,0,0|4,0,0]=4 129 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100000210303_100009854642 [0,0,0,0,0,0|3,0,0]=3 130 B12R1.385 CCCSc1cc(c(cn1)F)O 62a_100009854642_100000210303 [0,0,0,0,0,0|3,0,0]=3 131 B12R1.385 CCCSc1cc(c(cn1)N)C 62a_100000067204_100000210303 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.385 CCCSc1cc(c(cn1)N)C 62a_100000210303_100000067204 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.385 CCCSc1cc(c(cn1)N)N 62a_100000067514_100000210303 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.385 CCCSc1cc(c(cn1)N)N 62a_100000210303_100000067514 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.385 CCCSc1cc(c(cn1)O)C 62a_100000210303_100000692680 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.385 CCCSc1cc(c(cn1)O)N 62a_100000210303_100009819941 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.385 CCCSc1cc(c(cn1)O)N 62a_100009819941_100000210303 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.385 CCCSc1cc(c(nn1)N)C 62a_100000210303_100153394926 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.385 CCCSc1cc(c(nn1)N)C 62a_100153394926_100000210303 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100000210303_100012356990 [0,0,0,0,0,0|4,0,0]=4 141 B12R1.385 CCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210303 [0,0,0,0,0,0|4,0,0]=4 142 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100000210303_100011356854 [0,0,0,0,0,0|4,0,0]=4 145 B12R1.385 CCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210303 [0,0,0,0,0,0|4,0,0]=4 146 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000210303_100000686035 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.385 CCCSc1ccc(c(c1)O)F 62a_100000686035_100000210303 [0,0,0,0,0,0|4,0,0]=4 148 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000210303_100000739049 [0,0,0,0,0,0|4,0,0]=4 149 B12R1.385 CCCSc1ccc(c(c1)O)N 62a_100000739049_100000210303 [0,0,0,0,0,0|4,0,0]=4 150 B12R1.385 CCCSc1ccc(c(c1)O)O 62a_100000210303_100009813601 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.385 CCCSc1cn(c(=O)cn1)C 62a_100000210303_100009843036 [0,0,0,0,0,0|4,0,0]=4 152 B12R1.385 CCCSc1cn(c(=O)cn1)C 62a_100009843036_100000210303 [0,0,0,0,0,0|4,0,0]=4 153 B12R1.385 CCCSc1cnc(c(c1)O)C 62a_100000210303_100009864810 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.385 CCCSc1cnc(c(c1)O)C 62a_100009864810_100000210303 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.385 CCCSc1cnc(c(c1)O)F 62a_100000210303_100009819871 [0,0,0,0,0,0|3,0,1]=4 156 B12R1.385 CCCSc1cnc(c(c1)O)F 62a_100009819871_100000210303 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.385 CCCSc1cnc(c(c1)O)N 62a_100000210303_100009819042 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.385 CCCSc1cnc(c(c1)O)N 62a_100009819042_100000210303 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.385 CCCSc1ncc(c(n1)O)F 62a_100000210303_100011995740 [0,0,0,0,0,0|4,0,0]=4 160 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 207a_100015525214_100000051075 [0,0,0,0,0,0|3,0,0]=3 161 B12R1.385 CCNCc1c[nH]c(=O)c(c1)Cl 270004a_100015525214_100000051075 [0,0,0,0,0,0|3,0,0]=3 162 B12R1.385 CCNCc1cc(c(cn1)Br)C 207a_100015525214_100009814806 [0,0,0,0,0,0|4,0,0]=4 163 B12R1.385 CCNCc1cc(c(cn1)Br)C 270004a_100015525214_100009814806 [0,0,0,0,0,0|4,0,0]=4 164 B12R1.385 CCNCc1cc(c(cn1)C)Br 207a_100015525214_100010174032 [0,0,0,0,0,0|4,0,0]=4 165 B12R1.385 CCNCc1cc(c(cn1)C)Br 270004a_100015525214_100010174032 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.385 CCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210202 [0,0,0,0,0,0|4,0,0]=4 167 B12R1.385 CCNCc1ccc(c(c1)O)F 34a_100160469508_100000210202 [0,0,0,0,0,0|4,0,0]=4 168 B12R1.385 CCNCc1ccc(c(c1)O)O 34a_100000010075_100000210202 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.385 CCOCc1cc(c(cn1)Br)C 34a_200010713146_100000210202 [0,0,0,0,0,0|4,0,0]=4 170 B12R1.385 CCOCc1cc(c(cn1)C)Br 34a_100010113723_100000210202 [0,0,0,0,0,0|4,0,0]=4 171 B12R1.385 CCOCc1cc(c(cn1)C)Br 7a_100010113723_100000210202 [0,0,0,0,0,0|4,0,0]=4 172 B12R1.385 CCOCc1cc(c(cn1)C)Cl 34a_200000144627_100000210202 [0,0,0,0,0,0|4,0,0]=4 173 B12R1.385 CCOCc1cc(c(cn1)C)Cl 7a_200000144627_100000210202 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [0,0,0,0,0,0|3,0,1]=4 176 B12R1.385 COCSc1c[nH]c(=O)c(c1)Br 62a_100000766300_100010125443 [0,0,0,0,0,0|4,0,0]=4 177 B12R1.385 COCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000766300 [0,0,0,0,0,0|4,0,0]=4 178 B12R1.385 COCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000766300 [0,0,0,0,0,0|4,0,0]=4 179 B12R1.385 COCSc1c[nH]c(=O)c(c1)F 62a_100000766300_100000723523 [0,0,0,0,0,0|4,0,0]=4 180 B12R1.385 COCSc1c[nH]c(=O)c(c1)O 62a_100000766300_100009814561 [0,0,0,0,0,0|3,0,0]=3 181 B12R1.385 COCSc1cc(c(=O)[nH]n1)C 62a_100000766300_100012187101 [0,0,0,0,0,0|3,0,0]=3 182 B12R1.385 COCSc1cc(c(=O)[nH]n1)N 62a_100000766300_100000102183 [0,0,0,0,0,0|3,0,0]=3 183 B12R1.385 COCSc1cc(c(cn1)C)O 62a_100000704368_100000766300 [0,0,0,0,0,0|4,0,0]=4 184 B12R1.385 COCSc1cc(c(cn1)C)O 62a_100000766300_100000704368 [0,0,0,0,0,0|4,0,0]=4 185 B12R1.385 COCSc1cc(c(cn1)F)O 62a_100000766300_100009854642 [0,0,0,0,0,0|4,0,0]=4 186 B12R1.385 COCSc1cc(c(cn1)F)O 62a_100009854642_100000766300 [0,0,0,0,0,0|4,0,0]=4 187 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [0,0,0,0,0,0|3,0,1]=4 188 B12R1.385 CSCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100011218213 [0,0,0,0,0,0|4,0,0]=4 189 B12R1.385 CSCSc1c[nH]c(=O)c(c1)Br 62a_100011218213_100010125443 [0,0,0,0,0,0|4,0,0]=4 190 B12R1.385 CSCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100011218213 [0,0,0,0,0,0|4,0,0]=4 191 B12R1.385 CSCSc1c[nH]c(=O)c(c1)F 62a_100011218213_100000723523 [0,0,0,0,0,0|4,0,0]=4 192 B12R1.385 CSCSc1c[nH]c(=O)c(c1)O 62a_100011218213_100009814561 [0,0,0,0,0,0|3,0,0]=3 193 B12R1.385 CSCSc1cc(c(=O)[nH]n1)C 62a_100011218213_100012187101 [0,0,0,0,0,0|3,0,0]=3 194 B12R1.385 CSCSc1cc(c(=O)[nH]n1)N 62a_100011218213_100000102183 [0,0,0,0,0,0|3,0,0]=3 195 B12R1.385 CSCSc1cc(c(cn1)C)O 62a_100000704368_100011218213 [0,0,0,0,0,0|4,0,0]=4 196 B12R1.385 CSCSc1cc(c(cn1)C)O 62a_100011218213_100000704368 [0,0,0,0,0,0|4,0,0]=4 197 B12R1.385 CSCSc1cc(c(cn1)F)O 62a_100009854642_100011218213 [0,0,0,0,0,0|4,0,0]=4 198 B12R1.385 CSCSc1cc(c(cn1)F)O 62a_100011218213_100009854642 [0,0,0,0,0,0|4,0,0]=4 199 B12R1.385 Cc1cc(n[nH]c1=O)SCC#N 62a_100011215382_100012187101 [0,0,0,0,0,0|3,0,1]=4 200 B12R1.385 Cc1cc(n[nH]c1=O)SCC=O 62a_200015260668_100012187101 [0,0,0,0,0,0|3,0,1]=4 201 B12R1.385 Cc1cc(n[nH]c1=O)SCCF 62a_100011217306_100012187101 [0,0,0,0,0,0|3,0,0]=3 202 B12R1.385 Cc1cc(n[nH]c1=O)SCCO 62a_100000211926_100012187101 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.385 Cc1cnc(cc1O)SCCF 62a_100000704368_100011217306 [0,0,0,0,0,0|4,0,0]=4 204 B12R1.385 Cc1cnc(cc1O)SCCF 62a_100011217306_100000704368 [0,0,0,0,0,0|4,0,0]=4 205 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000211926_100000704368 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.385 Cc1cnc(cc1O)SCCO 62a_100000704368_100000211926 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.385 N#CCSc1c[nH]c(=O)c(c1)O 62a_100011215382_100009814561 [0,0,0,0,0,0|3,0,1]=4 208 B12R1.385 N#CCSc1cc(c(=O)[nH]n1)N 62a_100011215382_100000102183 [0,0,0,0,0,0|3,0,1]=4 209 B12R1.385 Nc1cc(n[nH]c1=O)SCC=O 62a_200015260668_100000102183 [0,0,0,0,0,0|3,0,1]=4 210 B12R1.385 Nc1cc(n[nH]c1=O)SCCF 62a_100011217306_100000102183 [0,0,0,0,0,0|3,0,0]=3 211 B12R1.385 Nc1cc(n[nH]c1=O)SCCO 62a_100000211926_100000102183 [0,0,0,0,0,0|3,0,0]=3 212 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [0,0,0,0,0,0|3,0,1]=4 213 B12R1.385 O=c1[nH]cc(cc1Br)SCCF 62a_100010125443_100011217306 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.385 O=c1[nH]cc(cc1Br)SCCF 62a_100011217306_100010125443 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100000211926_100010125443 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.385 O=c1[nH]cc(cc1Br)SCCO 62a_100010125443_100000211926 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.385 O=c1[nH]cc(cc1F)SCCF 62a_100000723523_100011217306 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.385 O=c1[nH]cc(cc1F)SCCF 62a_100011217306_100000723523 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000211926_100000723523 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.385 O=c1[nH]cc(cc1F)SCCO 62a_100000723523_100000211926 [0,0,0,0,0,0|4,0,0]=4 221 B12R1.385 O=c1[nH]cc(cc1O)SCCF 62a_100011217306_100009814561 [0,0,0,0,0,0|3,0,0]=3 222 B12R1.385 O=c1[nH]cc(cc1O)SCCO 62a_100000211926_100009814561 [0,0,0,0,0,0|3,0,0]=3 223 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100000211926_100009854642 [0,0,0,0,0,0|4,0,0]=4 224 B12R1.385 OCCSc1cc(c(cn1)F)O 62a_100009854642_100000211926 [0,0,0,0,0,0|4,0,0]=4 225 B12R1.385 Oc1cc(ncc1F)SCCF 62a_100009854642_100011217306 [0,0,0,0,0,0|4,0,0]=4 226 B12R1.385 Oc1cc(ncc1F)SCCF 62a_100011217306_100009854642 [0,0,0,0,0,0|4,0,0]=4 227 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [0,0,0,0,0,0|3,0,1]=4 228 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [0,0,0,0,0,0|3,0,1]=4 229 B11R1.1 C#CCSc1ccc(=O)[nH]n1 62a_100000038162_100009820020 [1,0,0,0,0,0|1,0,2]=4 230 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100000210623_100009820020 [1,0,0,0,0,0|1,0,2]=4 231 B11R1.1 C=CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210623 [1,0,0,0,0,0|1,0,2]=4 232 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,0,0,0,0,0|1,0,0]=2 233 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [1,0,0,0,0,0|0,0,0]=1 234 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,0,0,0,0,0|3,0,0]=4 237 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,0,0,0,0,0|2,0,0]=3 242 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,0,0,0,0,0|2,0,0]=3 243 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,0,0,0,0,0|2,0,0]=3 244 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,0,0,0,0,0|1,0,1]=3 247 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.1 CCCCc1ccc(nn1)C 271570a_100020621405_100011450037 [1,0,0,0,0,0|1,0,1]=3 253 B11R1.1 CCCCc1ccc(nn1)N 271570a_100020621405_100009816609 [1,0,0,0,0,0|1,0,1]=3 254 B11R1.1 CCCCc1cnc(=O)[nH]c1 271570a_100020621405_102495366499 [1,0,0,0,0,0|2,0,0]=3 255 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.1 CCCCc1cnc(cn1)F 271570a_100020621405_100009856528 [1,0,0,0,0,0|3,0,0]=4 257 B11R1.1 CCCCc1cnc(cn1)N 271570a_100020621405_100000761932 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.1 CCCCc1cnc(nn1)N 271570a_100020621405_100000691435 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.1 CCCCc1ncc(cn1)Br 271570a_100020621405_100000690281 [1,0,0,0,0,0|3,0,0]=4 260 B11R1.1 CCCCc1ncc(cn1)C 271570a_100020621405_100011825175 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.1 CCCCc1ncc(cn1)Cl 271570a_100020621405_100011356929 [1,0,0,0,0,0|3,0,0]=4 262 B11R1.1 CCCCc1ncc(cn1)F 271570a_100020621405_100000685220 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.1 CCCCc1ncc(cn1)N 271570a_100020621405_100000068403 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.1 CCCCc1ncc(cn1)O 271570a_100020621405_100000730009 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.1 CCCNc1ccc(nn1)O 271570a_203496583355_100000215239 [1,0,0,0,0,0|1,0,2]=4 266 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.1 CCCOc1ccc(cn1)Cl 34a_100011215309_100000210303 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.1 CCCOc1ccc(cn1)F 34a_100000742473_100000210303 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.1 CCCOc1ccc(cn1)N 34a_100000729260_100000210303 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [1,0,0,0,0,0|2,0,1]=4 272 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [1,0,0,0,0,0|1,0,2]=4 273 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000210303_100000212171 [1,0,0,0,0,0|2,0,0]=3 274 B11R1.1 CCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210303 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100000210303_100009820020 [1,0,0,0,0,0|1,0,0]=2 276 B11R1.1 CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210303 [1,0,0,0,0,0|1,0,0]=2 277 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000210303_100000686858 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.1 CCCSc1ccc(cn1)Br 62a_100000686858_100000210303 [1,0,0,0,0,0|3,0,0]=4 279 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [1,0,0,0,0,0|3,0,0]=4 280 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100000210303_100011356976 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.1 CCCSc1ccc(cn1)Cl 62a_100011356976_100000210303 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.1 CCCSc1ccc(cn1)F 62a_100000210303_100000744514 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.1 CCCSc1ccc(cn1)F 62a_100000744514_100000210303 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.1 CCCSc1ccc(cn1)N 62a_100000210303_100000737798 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.1 CCCSc1ccc(cn1)N 62a_100000737798_100000210303 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.1 CCCSc1ccc(cn1)O 62a_100000210303_100000744096 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.1 CCCSc1ccc(cn1)O 62a_100000685995_100000210303 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.1 CCCSc1ccc(nn1)C 62a_100000210303_100000744512 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.1 CCCSc1ccc(nn1)C 62a_100000744512_100000210303 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000068654_100000210303 [1,0,0,0,0,0|2,0,1]=4 292 B11R1.1 CCCSc1ccc(nn1)Cl 62a_100000210303_100000068654 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.1 CCCSc1ccc(nn1)N 62a_100000210303_100010219413 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.1 CCCSc1ccc(nn1)N 62a_100010219413_100000210303 [1,0,0,0,0,0|2,0,1]=4 295 B11R1.1 CCCSc1cnc(=O)[nH]c1 62a_100000210303_102495366499 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.1 CCCSc1cnc(=O)[nH]c1 62a_102495366499_100000210303 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.1 CCNCc1ccc(=O)[nH]n1 207a_100015525214_100011361533 [1,0,0,0,0,0|1,0,0]=2 298 B11R1.1 CCNCc1ccc(=O)[nH]n1 270004a_100015525214_100011361533 [1,0,0,0,0,0|1,0,0]=2 299 B11R1.1 CCNCc1ccc(cn1)Br 207a_100015525214_100000754260 [1,0,0,0,0,0|3,0,0]=4 300 B11R1.1 CCNCc1ccc(cn1)Br 2230a_100015525214_100000702658 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.1 CCNCc1ccc(cn1)Br 270004a_100015525214_100000754260 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.1 CCNCc1ccc(cn1)Br 34a_100015188789_100000210202 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [1,0,0,0,0,0|3,0,0]=4 305 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [1,0,0,0,0,0|3,0,0]=4 306 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.1 CCNCc1ccc(cn1)Cl 207a_100015525214_100011361569 [1,0,0,0,0,0|3,0,0]=4 308 B11R1.1 CCNCc1ccc(cn1)Cl 2230a_100015525214_100012066911 [1,0,0,0,0,0|3,0,0]=4 309 B11R1.1 CCNCc1ccc(cn1)Cl 270004a_100015525214_100011361569 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.1 CCNCc1ccc(cn1)Cl 34a_100000697193_100000210202 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.1 CCNCc1ccc(cn1)F 207a_100015525214_100011934744 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.1 CCNCc1ccc(cn1)F 2230a_100015525214_100000703193 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.1 CCNCc1ccc(cn1)F 270004a_100015525214_100011934744 [1,0,0,0,0,0|3,0,0]=4 314 B11R1.1 CCNCc1ccc(cn1)F 34a_100020620131_100000210202 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.1 CCNCc1ccc(nn1)Cl 2230a_100015525214_100016992710 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.1 CCNCc1ccc(nn1)Cl 270004a_100015525214_100000044651 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.1 CCOCc1ccc(nn1)Cl 34a_100121572206_100016992710 [1,0,0,0,0,0|2,0,1]=4 328 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000210202_100000702658 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.1 CCSCc1ccc(cn1)Br 62a_100000702658_100000210202 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [1,0,0,0,0,0|3,0,0]=4 331 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100000210202_100000697101 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.1 CCSCc1ccc(cn1)Cl 62a_100012066911_100000210202 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.1 CCSCc1ccc(cn1)F 62a_100000210202_100000703193 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.1 CCSCc1ccc(cn1)F 62a_100000703193_100000210202 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100000210202_100016992710 [1,0,0,0,0,0|2,0,1]=4 337 B11R1.1 CCSCc1ccc(nn1)Cl 62a_100016992710_100000210202 [1,0,0,0,0,0|2,0,1]=4 338 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,0,0,0,0,0|3,0,0]=4 339 B11R1.1 COCSc1ccc(=O)[nH]c1 62a_100000212171_100000766300 [1,0,0,0,0,0|3,0,0]=4 340 B11R1.1 COCSc1ccc(=O)[nH]c1 62a_100000766300_100000212171 [1,0,0,0,0,0|3,0,0]=4 341 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100000766300_100009820020 [1,0,0,0,0,0|2,0,0]=3 342 B11R1.1 COCSc1ccc(=O)[nH]n1 62a_100009820020_100000766300 [1,0,0,0,0,0|2,0,0]=3 343 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.1 CSCSc1ccc(=O)[nH]c1 62a_100000212171_100011218213 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.1 CSCSc1ccc(=O)[nH]c1 62a_100011218213_100000212171 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100009820020_100011218213 [1,0,0,0,0,0|2,0,0]=3 347 B11R1.1 CSCSc1ccc(=O)[nH]n1 62a_100011218213_100009820020 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.1 N#CCSc1ccc(=O)[nH]n1 62a_100009820020_100011215382 [1,0,0,0,0,0|2,0,1]=4 349 B11R1.1 N#CCSc1ccc(=O)[nH]n1 62a_100011215382_100009820020 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.1 O=CCSc1ccc(=O)[nH]n1 62a_100009820020_200015260668 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.1 O=CCSc1ccc(=O)[nH]n1 62a_200015260668_100009820020 [1,0,0,0,0,0|2,0,1]=4 352 B11R1.1 O=c1ccc(c[nH]1)COCF 34a_100011999846_100015361967 [1,0,0,0,0,0|3,0,0]=4 353 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [1,0,0,0,0,0|3,0,0]=4 354 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [1,0,0,0,0,0|3,0,0]=4 355 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100000212171_100011217306 [1,0,0,0,0,0|3,0,0]=4 356 B11R1.1 O=c1ccc(c[nH]1)SCCF 62a_100011217306_100000212171 [1,0,0,0,0,0|3,0,0]=4 357 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100009820020_100011217306 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.1 O=c1ccc(n[nH]1)SCCF 62a_100011217306_100009820020 [1,0,0,0,0,0|2,0,0]=3 361 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100000211926_100009820020 [1,0,0,0,0,0|2,0,0]=3 362 B11R1.1 O=c1ccc(n[nH]1)SCCO 62a_100009820020_100000211926 [1,0,0,0,0,0|2,0,0]=3 363 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.24 CCCCc1c[n+](ccn1)[O-] 271570a_100020621405_100009880115 [1,0,0,0,0,0|2,0,1]=4 365 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,0,0,0,0,0|2,0,0]=3 369 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,0,0,0,0,0|1,0,0]=2 370 B11R1.24 CCCCc1cc(cnn1)C 271570a_100020621405_100000070100 [1,0,0,0,0,0|1,0,1]=3 371 B11R1.24 CCCCc1cc(cnn1)O 271570a_100020621405_200010734679 [1,0,0,0,0,0|0,0,1]=2 372 B11R1.24 CCCCc1cc(ncn1)C 271570a_100020621405_100000744208 [1,0,0,0,0,0|3,0,0]=4 373 B11R1.24 CCCCc1cc(ncn1)F 271570a_100020621405_200009880791 [1,0,0,0,0,0|3,0,0]=4 374 B11R1.24 CCCCc1cc(ncn1)N 271570a_100020621405_100000701291 [1,0,0,0,0,0|3,0,0]=4 375 B11R1.24 CCCCc1cc(ncn1)O 271570a_100020621405_100000765262 [1,0,0,0,0,0|2,0,0]=3 376 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,0,0,0,0,0|2,0,0]=3 382 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,0,0,0,0,0|2,0,0]=3 383 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,0,0,0,0,0|2,1,0]=4 384 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,0,0,0,0,0|2,0,1]=4 385 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,0,0,0,0,0|2,0,1]=4 386 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,0,0,0,0,0|2,0,1]=4 387 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,0,0,0,0,0|2,0,1]=4 388 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,0,0,0,0,0|2,0,1]=4 389 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,0,0,0,0,0|1,0,1]=3 390 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [1,0,0,0,0,0|2,0,1]=4 391 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.24 CCCCc1nccc(n1)N 271570a_100020621405_100000757536 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [1,0,0,0,0,0|2,0,0]=3 394 B11R1.24 CCCNc1cc(ncn1)O 271570a_203496583355_100011443280 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.24 CCCOc1cc(cnn1)C 34a_100000766097_100000210303 [1,0,0,0,0,0|2,0,1]=4 397 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.24 CCCOc1cncc(c1)O 271570a_203496583355_200012029621 [1,0,0,0,0,0|2,0,1]=4 399 B11R1.24 CCCSc1cc(ccn1)C 62a_100000210303_100000750283 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.24 CCCSc1cc(ccn1)C 62a_100000750283_100000210303 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100000210303_100010167805 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.24 CCCSc1cc(ccn1)Cl 62a_100010167805_100000210303 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.24 CCCSc1cc(ccn1)F 62a_100000210303_100000764206 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.24 CCCSc1cc(ccn1)F 62a_100000764206_100000210303 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.24 CCCSc1cc(ccn1)N 62a_100000210303_100009814236 [1,0,0,0,0,0|3,0,0]=4 406 B11R1.24 CCCSc1cc(ccn1)N 62a_100009814236_100000210303 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.24 CCCSc1cc(ccn1)O 62a_100000210303_100000762945 [1,0,0,0,0,0|2,0,0]=3 408 B11R1.24 CCCSc1cc(cnn1)C 62a_100000070100_100000210303 [1,0,0,0,0,0|2,0,1]=4 409 B11R1.24 CCCSc1cc(cnn1)C 62a_100000210303_100000070100 [1,0,0,0,0,0|2,0,1]=4 410 B11R1.24 CCCSc1cc(cnn1)N 62a_100000210303_100011996757 [1,0,0,0,0,0|2,0,1]=4 411 B11R1.24 CCCSc1cc(cnn1)N 62a_100011996757_100000210303 [1,0,0,0,0,0|2,0,1]=4 412 B11R1.24 CCCSc1cc(cnn1)O 62a_100000210303_200010734679 [1,0,0,0,0,0|1,0,1]=3 413 B11R1.24 CCCSc1cc(ncn1)O 62a_100000210303_100000765262 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,0,0,0,0,0|3,0,0]=4 415 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.24 CCCSc1cncc(c1)O 62a_100000210303_100000754920 [1,0,0,0,0,0|2,0,1]=4 417 B11R1.24 CCCSc1cncc(c1)O 62a_100000754920_100000210303 [1,0,0,0,0,0|2,0,1]=4 418 B11R1.24 CCCSc1nccc(n1)O 62a_100000210303_100011649813 [1,0,0,0,0,0|3,0,0]=4 419 B11R1.24 CCNCc1cc(ccn1)Br 2230a_100015525214_100010173614 [1,0,0,0,0,0|3,0,0]=4 420 B11R1.24 CCNCc1cc(ccn1)Br 270004a_100015525214_100009818557 [1,0,0,0,0,0|3,0,0]=4 421 B11R1.24 CCNCc1cc(ccn1)C 207a_100015525214_100011361488 [1,0,0,0,0,0|3,0,0]=4 422 B11R1.24 CCNCc1cc(ccn1)C 2230a_100015525214_100000718516 [1,0,0,0,0,0|3,0,0]=4 423 B11R1.24 CCNCc1cc(ccn1)C 270004a_100015525214_100011361488 [1,0,0,0,0,0|3,0,0]=4 424 B11R1.24 CCNCc1cc(ccn1)Cl 2230a_100015525214_100016988179 [1,0,0,0,0,0|3,0,0]=4 425 B11R1.24 CCNCc1cc(ccn1)Cl 270004a_100015525214_100011998288 [1,0,0,0,0,0|3,0,0]=4 426 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,0,0,0,0,0|3,0,0]=4 427 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,0,0,0,0,0|3,0,0]=4 428 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,0,0,0,0,0|3,0,0]=4 429 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,0,0,0,0,0|3,0,0]=4 430 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,0,0,0,0,0|3,0,0]=4 431 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,0,0,0,0,0|3,0,0]=4 432 B11R1.24 CCNCc1cncc(c1)O 207a_100015525214_100012187055 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.24 CCNCc1cncc(c1)O 270004a_100015525214_100012187055 [1,0,0,0,0,0|2,0,1]=4 434 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [1,0,0,0,0,0|3,0,0]=4 435 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [1,0,0,0,0,0|3,0,0]=4 436 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [1,0,0,0,0,0|3,0,0]=4 437 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [1,0,0,0,0,0|3,0,0]=4 438 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.24 CCOCc1cc(cnn1)C 34a_100016212594_100000210202 [1,0,0,0,0,0|2,0,1]=4 441 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,0,0,0,0,0|3,0,0]=4 442 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,0,0,0,0,0|3,0,0]=4 443 B11R1.24 CCSCc1cc(ccn1)Br 62a_100000210202_100010173614 [1,0,0,0,0,0|3,0,0]=4 444 B11R1.24 CCSCc1cc(ccn1)Br 62a_100010173614_100000210202 [1,0,0,0,0,0|3,0,0]=4 445 B11R1.24 CCSCc1cc(ccn1)C 62a_100000210202_100000718516 [1,0,0,0,0,0|3,0,0]=4 446 B11R1.24 CCSCc1cc(ccn1)C 62a_100000718516_100000210202 [1,0,0,0,0,0|3,0,0]=4 447 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100000210202_100016988179 [1,0,0,0,0,0|3,0,0]=4 448 B11R1.24 CCSCc1cc(ccn1)Cl 62a_100016988179_100000210202 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,0,0,0,0,0|3,0,0]=4 450 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,0,0,0,0,0|3,0,0]=4 451 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,0,0,0,0,0|3,0,0]=4 452 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,0,0,0,0,0|3,0,0]=4 453 B11R1.24 COCSc1cc(ccn1)O 62a_100000766300_100000762945 [1,0,0,0,0,0|3,0,0]=4 454 B11R1.24 COCSc1cc(cnn1)O 62a_100000766300_200010734679 [1,0,0,0,0,0|2,0,1]=4 455 B11R1.24 CSCSc1cc(ccn1)O 62a_100011218213_100000762945 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.24 CSCSc1cc(cnn1)O 62a_100011218213_200010734679 [1,0,0,0,0,0|2,0,1]=4 457 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,0,0,0,0,0|3,0,0]=4 459 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.24 OCCSc1cc(cnn1)O 62a_100000211926_200010734679 [1,0,0,0,0,0|2,0,1]=4 461 B11R1.24 Oc1ccnc(c1)SCCF 62a_100011217306_100000762945 [1,0,0,0,0,0|3,0,0]=4 462 B11R1.24 Oc1cnnc(c1)SCCF 62a_100011217306_200010734679 [1,0,0,0,0,0|2,0,1]=4 463 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,0,0,0,0,0|3,0,0]=4 464 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,0,0,0,0,0|3,0,0]=4 465 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,0,0,0,0|1,0,2]=4 466 B11R1.192 CC=Cc1cc(c(=O)[nH]n1)C 271570a_100016259895_100012187101 [1,0,0,0,0,0|1,0,2]=4 467 B11R1.192 CC=Cc1cc(c(=O)[nH]n1)N 271570a_100016259895_100000102183 [1,0,0,0,0,0|1,0,2]=4 468 B11R1.192 CCSc1c[nH]c(=O)c(c1)Br 62a_100000210202_100010125443 [1,0,0,0,0,0|3,0,0]=4 469 B11R1.192 CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210202 [1,0,0,0,0,0|3,0,0]=4 470 B11R1.192 CCSc1c[nH]c(=O)c(c1)F 62a_100000210202_100000723523 [1,0,0,0,0,0|3,0,0]=4 471 B11R1.192 CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210202 [1,0,0,0,0,0|3,0,0]=4 472 B11R1.192 CCSc1c[nH]c(=O)c(c1)O 62a_100000210202_100009814561 [1,0,0,0,0,0|2,0,0]=3 473 B11R1.192 CCSc1cc(c(=O)[nH]n1)C 62a_100000210202_100012187101 [1,0,0,0,0,0|2,0,0]=3 474 B11R1.192 CCSc1cc(c(=O)[nH]n1)N 62a_100000210202_100000102183 [1,0,0,0,0,0|2,0,0]=3 475 B11R1.192 CCSc1cc(c(cn1)C)O 62a_100000210202_100000704368 [1,0,0,0,0,0|3,0,0]=4 476 B11R1.192 CCSc1cc(c(cn1)C)O 62a_100000704368_100000210202 [1,0,0,0,0,0|3,0,0]=4 477 B11R1.192 CCSc1cc(c(cn1)F)O 62a_100000210202_100009854642 [1,0,0,0,0,0|3,0,0]=4 478 B11R1.192 CCSc1cc(c(cn1)F)O 62a_100009854642_100000210202 [1,0,0,0,0,0|3,0,0]=4 479 B11R1.192 CNCc1c[nH]c(=O)c(c1)Cl 207a_100102657272_100000051075 [1,0,0,0,0,0|3,0,0]=4 480 B11R1.192 CNCc1c[nH]c(=O)c(c1)Cl 270004a_106832991635_100000051075 [1,0,0,0,0,0|3,0,0]=4 481 B11R1.192 Cc1cc(n[nH]c1=O)SCF 62a_100015361967_100012187101 [1,0,0,0,0,0|3,0,0]=4 482 B11R1.192 Nc1cc(n[nH]c1=O)SCF 62a_100015361967_100000102183 [1,0,0,0,0,0|3,0,0]=4 483 B11R1.192 O=c1[nH]cc(cc1O)SCF 62a_100015361967_100009814561 [1,0,0,0,0,0|3,0,0]=4 484 B13R1.136 CCCCc1cc(c(=O)n(c1)C)C 271570a_100020621405_100011830242 [0,1,0,0,0,0|2,0,0]=3 485 B13R1.136 CCCCc1cc(c(=O)n(c1)C)F 271570a_100020621405_100010749421 [0,1,0,0,0,0|2,0,0]=3 486 B13R1.136 CCCCc1cc(c(=O)n(c1)C)N 271570a_100020621405_106446545582 [0,1,0,0,0,0|2,0,0]=3 487 B13R1.136 CCCCc1cc(c(=O)n(n1)C)C 271570a_100020621405_100010988966 [0,1,0,0,0,0|1,0,0]=2 488 B13R1.136 CCCCc1cc(c(c(c1)F)F)O 271570a_100020621405_100000709865 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.136 CCCCc1cc(c(c(c1)F)N)O 271570a_100020621405_100015475841 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.136 CCCCc1cc(c(c(c1)O)N)C 271570a_100020621405_100010371313 [0,1,0,0,0,0|3,0,0]=4 491 B13R1.136 CCCCc1cc(c(c(n1)C)N)C 271570a_100020621405_100009817025 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.136 CCCSc1cc(c(=O)n(c1)C)C 62a_100000210303_100011830242 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.136 CCCSc1cc(c(=O)n(c1)C)C 62a_100011830242_100000210303 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.136 CCCSc1cc(c(=O)n(c1)C)F 62a_100000210303_100010749421 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.136 CCCSc1cc(c(=O)n(c1)C)F 62a_100010749421_100000210303 [0,1,0,0,0,0|3,0,0]=4 496 B13R1.136 CCCSc1cc(c(=O)n(c1)C)N 62a_100000210303_106446545582 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.136 CCCSc1cc(c(=O)n(c1)C)N 62a_106446545582_100000210303 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100000210303_100010988966 [0,1,0,0,0,0|2,0,0]=3 499 B13R1.136 CCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210303 [0,1,0,0,0,0|2,0,0]=3 500 B13R1.136 COCSc1cc(c(=O)n(n1)C)C 62a_100000766300_100010988966 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.136 COCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000766300 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.136 CSCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100011218213 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.136 CSCSc1cc(c(=O)n(n1)C)C 62a_100011218213_100010988966 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.136 Cc1cc(nn(c1=O)C)SCCF 62a_100010988966_100011217306 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.136 Cc1cc(nn(c1=O)C)SCCF 62a_100011217306_100010988966 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.136 Cc1cc(nn(c1=O)C)SCCO 62a_100000211926_100010988966 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.136 Cc1cc(nn(c1=O)C)SCCO 62a_100010988966_100000211926 [0,1,0,0,0,0|3,0,0]=4 508 B13R1.511 C=C(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748629_100009814561 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.511 C=C(C)CSc1cc(c(=O)[nH]n1)C 62a_100000748629_100012187101 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.511 C=C(C)CSc1cc(c(=O)[nH]n1)N 62a_100000748629_100000102183 [0,1,0,0,0,0|2,0,1]=4 511 B13R1.511 CC(C)C=Cc1c[nH]c(=O)c(c1)O 271570a_100016257149_100009814561 [0,1,0,0,0,0|1,0,2]=4 512 B13R1.511 CC(C)C=Cc1cc(c(=O)[nH]n1)N 271570a_100016257149_100000102183 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100000210624_100010125443 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210760 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000210624_100000723523 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210760 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.511 CC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000210624_100009814561 [0,1,0,0,0,0|2,0,0]=3 518 B13R1.511 CC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000210624_100000102183 [0,1,0,0,0,0|2,0,0]=3 519 B13R1.511 CC(C)CSc1cc(c(cn1)F)O 62a_100000210624_100009854642 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.511 CC(C)CSc1cc(c(cn1)F)O 62a_100009854642_100000210760 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.511 CC(C)NCc1c[nH]c(=O)c(c1)Cl 207a_100138425928_100000051075 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.511 CC(O)C=Cc1c[nH]c(=O)c(c1)O 271570a_200011019289_100009814561 [0,1,0,0,0,0|1,0,2]=4 523 B13R1.511 CC(O)C=Cc1cc(c(=O)[nH]n1)N 271570a_200011019289_100000102183 [0,1,0,0,0,0|1,0,2]=4 524 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100011218427 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100011218427_100010125443 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100011218427 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)F 62a_100011218427_100000723523 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.511 CC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218427_100009814561 [0,1,0,0,0,0|2,0,0]=3 529 B13R1.511 CC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218427_100000102183 [0,1,0,0,0,0|2,0,0]=3 530 B13R1.511 CC(O)CSc1cc(c(cn1)F)O 62a_100009854642_100011218427 [0,1,0,0,0,0|3,0,0]=4 531 B13R1.511 CC(O)CSc1cc(c(cn1)F)O 62a_100011218427_100009854642 [0,1,0,0,0,0|3,0,0]=4 532 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)Br 62a_100009817552_100010125443 [0,1,0,0,0,0|3,0,0]=4 533 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100009817552 [0,1,0,0,0,0|3,0,0]=4 534 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100009817552 [0,1,0,0,0,0|3,0,0]=4 535 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)F 62a_100009817552_100000723523 [0,1,0,0,0,0|3,0,0]=4 536 B13R1.511 C[C@@H](O)CSc1c[nH]c(=O)c(c1)O 62a_100009817552_100009814561 [0,1,0,0,0,0|2,0,0]=3 537 B13R1.511 C[C@@H](O)CSc1cc(c(=O)[nH]n1)N 62a_100009817552_100000102183 [0,1,0,0,0,0|2,0,0]=3 538 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)O 62a_100009817552_100009854642 [0,1,0,0,0,0|3,0,0]=4 539 B13R1.511 C[C@@H](O)CSc1cc(c(cn1)F)O 62a_100009854642_100009817552 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.511 Cc1cc(n[nH]c1=O)C=CC(C)C 271570a_100016257149_100012187101 [0,1,0,0,0,0|1,0,2]=4 541 B13R1.511 Cc1cc(n[nH]c1=O)C=CC(C)O 271570a_200011019289_100012187101 [0,1,0,0,0,0|1,0,2]=4 542 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)C 62a_100000210624_100012187101 [0,1,0,0,0,0|2,0,0]=3 543 B13R1.511 Cc1cc(n[nH]c1=O)SCC(C)O 62a_100011218427_100012187101 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.511 Cc1cc(n[nH]c1=O)SCC(F)F 62a_100011934356_100012187101 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.511 Cc1cc(n[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100012187101 [0,1,0,0,0,0|2,0,0]=3 546 B13R1.511 Cc1cnc(cc1O)SCC(C)C 62a_100000210624_100000704368 [0,1,0,0,0,0|3,0,0]=4 547 B13R1.511 Cc1cnc(cc1O)SCC(C)C 62a_100000704368_100000210760 [0,1,0,0,0,0|3,0,0]=4 548 B13R1.511 Cc1cnc(cc1O)SCC(C)O 62a_100000704368_100011218427 [0,1,0,0,0,0|3,0,0]=4 549 B13R1.511 Cc1cnc(cc1O)SCC(C)O 62a_100011218427_100000704368 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.511 Cc1cnc(cc1O)SC[C@@H](C)O 62a_100000704368_100009817552 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.511 Cc1cnc(cc1O)SC[C@@H](C)O 62a_100009817552_100000704368 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.511 Nc1cc(n[nH]c1=O)SCC(F)F 62a_100011934356_100000102183 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.511 O=c1[nH]cc(cc1O)SCC(F)F 62a_100011934356_100009814561 [0,1,0,0,0,0|3,0,0]=4 554 B13R1.575 CCCCc1c[nH]c(=O)c(c1)OC 271570a_100020621405_100010125397 [0,1,0,0,0,0|1,0,0]=2 555 B13R1.575 CCCCc1cc(c(cn1)C)OC 271570a_100020621405_100010067687 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.575 CCCCc1cc(c(cn1)F)C#N 271570a_100020621405_100000709737 [0,1,0,0,0,0|3,0,0]=4 557 B13R1.575 CCCCc1cc(c(cn1)F)C=O 271570a_100020621405_100000707870 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.575 CCCCc1cc(c(cn1)F)CO 271570a_100020621405_100000081974 [0,1,0,0,0,0|2,0,0]=3 559 B13R1.575 CCCCc1cc(c(cn1)F)OC 271570a_100020621405_200010136270 [0,1,0,0,0,0|2,0,0]=3 560 B13R1.575 CCCCc1cc(c(cn1)N)OC 271570a_100020621405_100009887741 [0,1,0,0,0,0|2,0,0]=3 561 B13R1.575 CCCCc1cc(c(nn1)N)OC 271570a_100020621405_100000688033 [0,1,0,0,0,0|1,0,1]=3 562 B13R1.575 CCCCc1ccc(c(c1)CO)Br 271570a_100020621405_100012359683 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.575 CCCCc1ccc(c(c1)CO)C 271570a_100020621405_100000700630 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.575 CCCCc1ccc(c(c1)CO)Cl 271570a_100020621405_100010128486 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.575 CCCCc1ccc(c(c1)CO)F 271570a_100020621405_100000049604 [0,1,0,0,0,0|3,0,0]=4 566 B13R1.575 CCCCc1ccc(c(c1)CO)N 271570a_100020621405_100012353972 [0,1,0,0,0,0|3,0,0]=4 567 B13R1.575 CCCCc1ccc(c(c1)CO)O 271570a_100020621405_100000184703 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.575 CCCCc1ccc(c(c1)OC)Br 271570a_100020621405_100012353699 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.575 CCCCc1ccc(c(c1)OC)C 271570a_100020621405_100011830276 [0,1,0,0,0,0|3,0,0]=4 570 B13R1.575 CCCCc1ccc(c(c1)OC)Cl 271570a_100020621405_100011356853 [0,1,0,0,0,0|3,0,0]=4 571 B13R1.575 CCCCc1ccc(c(c1)OC)F 271570a_100020621405_100011934186 [0,1,0,0,0,0|3,0,0]=4 572 B13R1.575 CCCCc1ccc(c(c1)OC)N 271570a_100020621405_100011279103 [0,1,0,0,0,0|3,0,0]=4 573 B13R1.575 CCCCc1ccc(c(c1)OC)O 271570a_100020621405_100000694246 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.575 CCCCc1cnc(c(c1)CO)C 271570a_100020621405_100010894652 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.575 CCCCc1cnc(c(c1)CO)F 271570a_100020621405_100010202234 [0,1,0,0,0,0|2,0,1]=4 576 B13R1.575 CCCCc1cnc(c(c1)CO)N 271570a_100020621405_100011934449 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.575 CCCCc1cnc(c(c1)CO)O 271570a_100020621405_100010065268 [0,1,0,0,0,0|1,0,2]=4 578 B13R1.575 CCCCc1cnc(c(c1)OC)C 271570a_100020621405_100010254219 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.575 CCCCc1cnc(c(c1)OC)F 271570a_100020621405_100010214931 [0,1,0,0,0,0|2,0,1]=4 580 B13R1.575 CCCCc1cnc(c(c1)OC)N 271570a_100020621405_106354213024 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.575 CCCCc1ncc(c(n1)OC)C 271570a_100020621405_100012500371 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.575 CCCCc1ncc(c(n1)OC)F 271570a_100020621405_100012183945 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.575 CCCCc1ncc(c(n1)OC)N 271570a_100020621405_100012122185 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.575 CCCSc1c[nH]c(=O)c(c1)OC 62a_100000210303_100010125397 [0,1,0,0,0,0|2,0,0]=3 585 B13R1.575 CCCSc1cc(c(cn1)C)OC 62a_100000210303_100010067687 [0,1,0,0,0,0|3,0,0]=4 586 B13R1.575 CCCSc1cc(c(cn1)C)OC 62a_100010067687_100000210303 [0,1,0,0,0,0|3,0,0]=4 587 B13R1.575 CCCSc1cc(c(cn1)F)CO 62a_100000081974_100000210303 [0,1,0,0,0,0|3,0,0]=4 588 B13R1.575 CCCSc1cc(c(cn1)F)CO 62a_100000210303_100000081974 [0,1,0,0,0,0|3,0,0]=4 589 B13R1.575 CCCSc1cc(c(cn1)F)OC 62a_100000210303_200010136270 [0,1,0,0,0,0|3,0,0]=4 590 B13R1.575 CCCSc1cc(c(cn1)F)OC 62a_200010136270_100000210303 [0,1,0,0,0,0|3,0,0]=4 591 B13R1.575 CCCSc1cc(c(cn1)N)OC 62a_100000210303_100009887741 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.575 CCCSc1cc(c(cn1)N)OC 62a_100009887741_100000210303 [0,1,0,0,0,0|3,0,0]=4 593 B13R1.575 CCCSc1cc(c(nn1)N)OC 62a_100000210303_100000688033 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.575 CCCSc1cc(c(nn1)N)OC 62a_100000688033_100000210303 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.575 CCOCc1cc(c(cn1)Br)OC 34a_100010999569_100000210202 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.575 COCSc1c[nH]c(=O)c(c1)OC 62a_100000766300_100010125397 [0,1,0,0,0,0|3,0,0]=4 597 B13R1.575 COc1cc(c[nH]c1=O)SCCF 62a_100011217306_100010125397 [0,1,0,0,0,0|3,0,0]=4 598 B13R1.575 COc1cc(c[nH]c1=O)SCCO 62a_100000211926_100010125397 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.575 COc1cc(c[nH]c1=O)SCSC 62a_100011218213_100010125397 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.577 CCCCc1cc(c(cn1)C#N)C 271570a_100020621405_100012183107 [0,1,0,0,0,0|3,0,0]=4 601 B13R1.577 CCCCc1cc(c(cn1)C=O)C 271570a_100020621405_100000085382 [0,1,0,0,0,0|2,0,0]=3 602 B13R1.577 CCCCc1cc(c(cn1)CO)C 271570a_100020621405_100010277336 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.577 CCCCc1cc(c(cn1)CO)N 271570a_100020621405_100009830438 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.577 CCCCc1cc(c(cn1)NC)N 271570a_100020621405_200015721873 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.577 CCCCc1cc(c(cn1)OC)N 271570a_100020621405_100010896307 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.577 CCCCc1cc(c(cn1)OC)O 271570a_100020621405_100010264082 [0,1,0,0,0,0|1,0,1]=3 607 B13R1.577 CCCCc1cc(c(nn1)NC)N 271570a_100020621405_200009938434 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.577 CCCCc1cc(c(nn1)OC)C 271570a_100020621405_100010272851 [0,1,0,0,0,0|1,0,2]=4 609 B13R1.577 CCCCc1ccc(c(c1)Br)C=O 271570a_100020621405_100010185650 [0,1,0,0,0,0|3,0,0]=4 610 B13R1.577 CCCCc1ccc(c(c1)C)C=O 271570a_100020621405_100000687586 [0,1,0,0,0,0|3,0,0]=4 611 B13R1.577 CCCCc1ccc(c(c1)Cl)C=O 271570a_100020621405_100000727542 [0,1,0,0,0,0|3,0,0]=4 612 B13R1.577 CCCCc1ccc(c(c1)F)C=O 271570a_100020621405_100000211676 [0,1,0,0,0,0|3,0,0]=4 613 B13R1.577 CCCCc1ccc(c(c1)N)C=O 271570a_100020621405_100009814810 [0,1,0,0,0,0|3,0,0]=4 614 B13R1.577 CCCCc1ccc(c(c1)O)C#N 271570a_100020621405_100011934713 [0,1,0,0,0,0|3,0,0]=4 615 B13R1.577 CCCCc1ccc(c(c1)O)C=O 271570a_100020621405_100011277552 [0,1,0,0,0,0|2,0,0]=3 616 B13R1.577 CCCCc1ccc(c(c1)O)CO 271570a_100020621405_100000071718 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.577 CCCCc1cnc(c(c1)C)C=O 271570a_100020621405_100010185443 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.577 CCCCc1cnc(c(c1)F)C=O 271570a_100020621405_100010180630 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.577 CCCCc1cnc(c(c1)O)C#N 271570a_100020621405_200013853302 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.577 CCCCc1cnc(c(c1)O)OC 271570a_100020621405_100010135713 [0,1,0,0,0,0|1,0,2]=4 622 B13R1.577 CCCSc1cc(c(cn1)C=O)C 62a_100000085382_100000210303 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.577 CCCSc1cc(c(cn1)C=O)C 62a_100000210303_100000085382 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.577 CCCSc1cc(c(cn1)C=O)N 62a_100000050503_100000210303 [0,1,0,0,0,0|3,0,0]=4 625 B13R1.577 CCCSc1cc(c(cn1)C=O)N 62a_100000210303_100000050503 [0,1,0,0,0,0|3,0,0]=4 626 B13R1.577 CCCSc1cc(c(cn1)OC)O 62a_100000210303_100010264082 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100000210303_100011277552 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.577 CCCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210303 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.669 C#CCCSc1c[nH]c(=O)c(c1)O 62a_100000688953_100009814561 [0,1,0,0,0,0|1,0,2]=4 630 B13R1.669 C#CCCSc1cc(c(=O)[nH]n1)C 62a_100000688953_100012187101 [0,1,0,0,0,0|1,0,2]=4 631 B13R1.669 C#CCCSc1cc(c(=O)[nH]n1)N 62a_100000688953_100000102183 [0,1,0,0,0,0|1,0,2]=4 632 B13R1.669 C/C=C/CSc1c[nH]c(=O)c(c1)O 62a_100102629194_100009814561 [0,1,0,0,0,0|1,0,2]=4 633 B13R1.669 C/C=C/CSc1cc(c(=O)[nH]n1)C 62a_100102629194_100012187101 [0,1,0,0,0,0|1,0,2]=4 634 B13R1.669 C/C=C/CSc1cc(c(=O)[nH]n1)N 62a_100102629194_100000102183 [0,1,0,0,0,0|1,0,2]=4 635 B13R1.669 C=CCCSc1c[nH]c(=O)c(c1)O 62a_100000754431_100009814561 [0,1,0,0,0,0|1,0,2]=4 636 B13R1.669 C=CCCSc1cc(c(=O)[nH]n1)C 62a_100000754431_100012187101 [0,1,0,0,0,0|1,0,2]=4 637 B13R1.669 C=CCCSc1cc(c(=O)[nH]n1)N 62a_100000754431_100000102183 [0,1,0,0,0,0|1,0,2]=4 638 B13R1.669 CC#CCSc1c[nH]c(=O)c(c1)O 62a_100000748600_100009814561 [0,1,0,0,0,0|1,0,2]=4 639 B13R1.669 CC#CCSc1cc(c(=O)[nH]n1)C 62a_100000748600_100012187101 [0,1,0,0,0,0|1,0,2]=4 640 B13R1.669 CC#CCSc1cc(c(=O)[nH]n1)N 62a_100000748600_100000102183 [0,1,0,0,0,0|1,0,2]=4 641 B13R1.669 CC=CCSc1c[nH]c(=O)c(c1)O 62a_100000070051_100009814561 [0,1,0,0,0,0|1,0,2]=4 642 B13R1.669 CC=CCSc1cc(c(=O)[nH]n1)C 62a_100000070051_100012187101 [0,1,0,0,0,0|1,0,2]=4 643 B13R1.669 CC=CCSc1cc(c(=O)[nH]n1)N 62a_100000070051_100000102183 [0,1,0,0,0,0|1,0,2]=4 644 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016258520_100010125443 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)F 271570a_100016258520_100000723523 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016258520_100009814561 [0,1,0,0,0,0|1,0,1]=3 647 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016258520_100012187101 [0,1,0,0,0,0|1,0,1]=3 648 B13R1.669 CCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016258520_100000102183 [0,1,0,0,0,0|1,0,1]=3 649 B13R1.669 CCCC=Cc1cc(c(cn1)C)O 271570a_100016258520_100000704368 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.669 CCCC=Cc1cc(c(cn1)F)O 271570a_100016258520_100009854642 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.669 CCCCNc1cc(c(cn1)C)F 27a_100000102301_100009841206 [0,1,0,0,0,0|3,0,0]=4 652 B13R1.669 CCCCNc1ccc(c(c1)O)C 34a_100000759471_100000210210 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.669 CCCCNc1ccc(c(c1)O)C 7a_100000759471_100000210211 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.669 CCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000210210 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.669 CCCCNc1ccc(c(c1)O)F 34a_100012017398_100000210210 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.669 CCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210211 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.669 CCCCNc1ccc(c(c1)O)O 34a_100102946323_100000210210 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.669 CCCCNc1ncc(c(n1)O)F 27a_100000102301_100011995740 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.669 CCCCOc1cc(c(cn1)Br)C 34a_100000766222_100000210210 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.669 CCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100000210210 [0,1,0,0,0,0|3,0,0]=4 661 B13R1.669 CCCCOc1cc(c(cn1)C)Br 34a_100009831917_100000210210 [0,1,0,0,0,0|3,0,0]=4 662 B13R1.669 CCCCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210210 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.669 CCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100000210210 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.669 CCCCOc1cc(c(cn1)O)C 271570a_203496583355_200013759037 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210211_100010125443 [0,1,0,0,0,0|2,0,0]=3 666 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210210 [0,1,0,0,0,0|2,0,0]=3 667 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000210211_100000723523 [0,1,0,0,0,0|2,0,0]=3 668 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210210 [0,1,0,0,0,0|2,0,0]=3 669 B13R1.669 CCCCSc1c[nH]c(=O)c(c1)O 62a_100000210211_100009814561 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.669 CCCCSc1c[nH]c(=O)c(n1)C 62a_100000210211_100010363809 [0,1,0,0,0,0|3,0,0]=4 671 B13R1.669 CCCCSc1c[nH]c(=O)c(n1)C 62a_100010363809_100000210210 [0,1,0,0,0,0|3,0,0]=4 672 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)C 62a_100000210211_100012187101 [0,1,0,0,0,0|1,0,0]=2 673 B13R1.669 CCCCSc1cc(c(=O)[nH]n1)N 62a_100000210211_100000102183 [0,1,0,0,0,0|1,0,0]=2 674 B13R1.669 CCCCSc1cc(c(cn1)Br)C 62a_100000210211_100012356354 [0,1,0,0,0,0|3,0,0]=4 675 B13R1.669 CCCCSc1cc(c(cn1)Br)C 62a_100012356354_100000210210 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.669 CCCCSc1cc(c(cn1)C)C 62a_100000210211_100009850809 [0,1,0,0,0,0|3,0,0]=4 677 B13R1.669 CCCCSc1cc(c(cn1)C)C 62a_100009850809_100000210210 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.669 CCCCSc1cc(c(cn1)C)F 62a_100000210211_100009841206 [0,1,0,0,0,0|3,0,0]=4 679 B13R1.669 CCCCSc1cc(c(cn1)C)F 62a_100009841206_100000210210 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.669 CCCCSc1cc(c(cn1)C)N 62a_100000126663_100000210210 [0,1,0,0,0,0|3,0,0]=4 681 B13R1.669 CCCCSc1cc(c(cn1)C)N 62a_100000210211_100000126663 [0,1,0,0,0,0|3,0,0]=4 682 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000210211_100000704368 [0,1,0,0,0,0|2,0,0]=3 683 B13R1.669 CCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210210 [0,1,0,0,0,0|2,0,0]=3 684 B13R1.669 CCCCSc1cc(c(cn1)F)C 62a_100000210211_100009818257 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.669 CCCCSc1cc(c(cn1)F)C 62a_100009818257_100000210210 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.669 CCCCSc1cc(c(cn1)F)N 62a_100000126464_100000210210 [0,1,0,0,0,0|3,0,0]=4 687 B13R1.669 CCCCSc1cc(c(cn1)F)N 62a_100000210211_100000126464 [0,1,0,0,0,0|3,0,0]=4 688 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100000210211_100009854642 [0,1,0,0,0,0|2,0,0]=3 689 B13R1.669 CCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210210 [0,1,0,0,0,0|2,0,0]=3 690 B13R1.669 CCCCSc1cc(c(cn1)N)C 62a_100000067204_100000210210 [0,1,0,0,0,0|3,0,0]=4 691 B13R1.669 CCCCSc1cc(c(cn1)N)C 62a_100000210211_100000067204 [0,1,0,0,0,0|3,0,0]=4 692 B13R1.669 CCCCSc1cc(c(cn1)N)N 62a_100000067514_100000210210 [0,1,0,0,0,0|3,0,0]=4 693 B13R1.669 CCCCSc1cc(c(cn1)N)N 62a_100000210211_100000067514 [0,1,0,0,0,0|3,0,0]=4 694 B13R1.669 CCCCSc1cc(c(cn1)O)C 62a_100000210211_100000692680 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.669 CCCCSc1cc(c(cn1)O)N 62a_100000210211_100009819941 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.669 CCCCSc1cc(c(cn1)O)N 62a_100009819941_100000210210 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.669 CCCCSc1cc(c(nn1)N)C 62a_100000210211_100153394926 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.669 CCCCSc1cc(c(nn1)N)C 62a_100153394926_100000210210 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100000210211_100012356990 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.669 CCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210210 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000210211_100000685420 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.669 CCCCSc1ccc(c(c1)O)C 62a_100000685420_100000210210 [0,1,0,0,0,0|3,0,0]=4 703 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100000210211_100011356854 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.669 CCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210210 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000210211_100000686035 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.669 CCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210210 [0,1,0,0,0,0|3,0,0]=4 707 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000210211_100000739049 [0,1,0,0,0,0|3,0,0]=4 708 B13R1.669 CCCCSc1ccc(c(c1)O)N 62a_100000739049_100000210210 [0,1,0,0,0,0|3,0,0]=4 709 B13R1.669 CCCCSc1ccc(c(c1)O)O 62a_100000210211_100009813601 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.669 CCCCSc1cn(c(=O)cn1)C 62a_100000210211_100009843036 [0,1,0,0,0,0|3,0,0]=4 711 B13R1.669 CCCCSc1cn(c(=O)cn1)C 62a_100009843036_100000210210 [0,1,0,0,0,0|3,0,0]=4 712 B13R1.669 CCCCSc1cnc(c(c1)O)C 62a_100000210211_100009864810 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.669 CCCCSc1cnc(c(c1)O)C 62a_100009864810_100000210210 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.669 CCCCSc1cnc(c(c1)O)F 62a_100000210211_100009819871 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.669 CCCCSc1cnc(c(c1)O)F 62a_100009819871_100000210210 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.669 CCCCSc1cnc(c(c1)O)N 62a_100000210211_100009819042 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.669 CCCCSc1cnc(c(c1)O)N 62a_100009819042_100000210210 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.669 CCCCSc1ncc(c(n1)O)F 62a_100000210211_100011995740 [0,1,0,0,0,0|3,0,0]=4 719 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 207a_100020643023_100000051075 [0,1,0,0,0,0|2,0,0]=3 720 B13R1.669 CCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100020643023_100000051075 [0,1,0,0,0,0|2,0,0]=3 721 B13R1.669 CCCNCc1cc(c(cn1)Br)C 207a_100020643023_100009814806 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.669 CCCNCc1cc(c(cn1)Br)C 270004a_100020643023_100009814806 [0,1,0,0,0,0|3,0,0]=4 723 B13R1.669 CCCNCc1cc(c(cn1)C)Br 207a_100020643023_100010174032 [0,1,0,0,0,0|3,0,0]=4 724 B13R1.669 CCCNCc1cc(c(cn1)C)Br 270004a_100020643023_100010174032 [0,1,0,0,0,0|3,0,0]=4 725 B13R1.669 CCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210303 [0,1,0,0,0,0|3,0,0]=4 726 B13R1.669 CCCNCc1ccc(c(c1)O)F 34a_100160469508_100000210303 [0,1,0,0,0,0|3,0,0]=4 727 B13R1.669 CCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210303 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.669 CCCOCc1cc(c(cn1)Br)C 34a_200010713146_100000210303 [0,1,0,0,0,0|3,0,0]=4 729 B13R1.669 CCCOCc1cc(c(cn1)C)Br 34a_100010113723_100000210303 [0,1,0,0,0,0|3,0,0]=4 730 B13R1.669 CCCOCc1cc(c(cn1)C)Br 7a_100010113723_100000210303 [0,1,0,0,0,0|3,0,0]=4 731 B13R1.669 CCCOCc1cc(c(cn1)C)Cl 34a_200000144627_100000210303 [0,1,0,0,0,0|3,0,0]=4 732 B13R1.669 CCCOCc1cc(c(cn1)C)Cl 7a_200000144627_100000210303 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.669 CCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210202 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.669 CCOC=Cc1c[nH]c(=O)c(c1)O 271570a_100016256518_100009814561 [0,1,0,0,0,0|1,0,2]=4 735 B13R1.669 CCOC=Cc1cc(c(=O)[nH]n1)C 271570a_100016256518_100012187101 [0,1,0,0,0,0|1,0,2]=4 736 B13R1.669 CCOC=Cc1cc(c(=O)[nH]n1)N 271570a_100016256518_100000102183 [0,1,0,0,0,0|1,0,2]=4 737 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)Br 62a_100000739092_100010125443 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000739092 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000739092 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)F 62a_100000739092_100000723523 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.669 CCOCSc1c[nH]c(=O)c(c1)O 62a_100000739092_100009814561 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)C 62a_100000739092_100012187101 [0,1,0,0,0,0|2,0,0]=3 743 B13R1.669 CCOCSc1cc(c(=O)[nH]n1)N 62a_100000739092_100000102183 [0,1,0,0,0,0|2,0,0]=3 744 B13R1.669 CCOCSc1cc(c(cn1)C)O 62a_100000704368_100000739092 [0,1,0,0,0,0|3,0,0]=4 745 B13R1.669 CCOCSc1cc(c(cn1)C)O 62a_100000739092_100000704368 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.669 CCOCSc1cc(c(cn1)F)O 62a_100000739092_100009854642 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.669 CCOCSc1cc(c(cn1)F)O 62a_100009854642_100000739092 [0,1,0,0,0,0|3,0,0]=4 748 B13R1.669 CCSCCc1ccc(c(c1)O)O 62a_100000210202_200010393615 [0,1,0,0,0,0|2,0,1]=4 749 B13R1.669 COCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016286323_100009814561 [0,1,0,0,0,0|1,0,2]=4 750 B13R1.669 COCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016286323_100012187101 [0,1,0,0,0,0|1,0,2]=4 751 B13R1.669 COCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016286323_100000102183 [0,1,0,0,0,0|1,0,2]=4 752 B13R1.669 COCCSc1c[nH]c(=O)c(c1)Br 62a_100000233755_100010125443 [0,1,0,0,0,0|3,0,0]=4 753 B13R1.669 COCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000233755 [0,1,0,0,0,0|3,0,0]=4 754 B13R1.669 COCCSc1c[nH]c(=O)c(c1)F 62a_100000233755_100000723523 [0,1,0,0,0,0|3,0,0]=4 755 B13R1.669 COCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000233755 [0,1,0,0,0,0|3,0,0]=4 756 B13R1.669 COCCSc1c[nH]c(=O)c(c1)O 62a_100000233755_100009814561 [0,1,0,0,0,0|2,0,0]=3 757 B13R1.669 COCCSc1cc(c(=O)[nH]n1)C 62a_100000233755_100012187101 [0,1,0,0,0,0|2,0,0]=3 758 B13R1.669 COCCSc1cc(c(=O)[nH]n1)N 62a_100000233755_100000102183 [0,1,0,0,0,0|2,0,0]=3 759 B13R1.669 COCCSc1cc(c(cn1)C)O 62a_100000233755_100000704368 [0,1,0,0,0,0|3,0,0]=4 760 B13R1.669 COCCSc1cc(c(cn1)C)O 62a_100000704368_100000233755 [0,1,0,0,0,0|3,0,0]=4 761 B13R1.669 COCCSc1cc(c(cn1)F)O 62a_100000233755_100009854642 [0,1,0,0,0,0|3,0,0]=4 762 B13R1.669 COCCSc1cc(c(cn1)F)O 62a_100009854642_100000233755 [0,1,0,0,0,0|3,0,0]=4 763 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)Br 62a_100000212216_100010125443 [0,1,0,0,0,0|3,0,0]=4 764 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000751147 [0,1,0,0,0,0|3,0,0]=4 765 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)F 62a_100000212216_100000723523 [0,1,0,0,0,0|3,0,0]=4 766 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000751147 [0,1,0,0,0,0|3,0,0]=4 767 B13R1.669 CSCCSc1c[nH]c(=O)c(c1)O 62a_100000212216_100009814561 [0,1,0,0,0,0|2,0,0]=3 768 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)C 62a_100000212216_100012187101 [0,1,0,0,0,0|2,0,0]=3 769 B13R1.669 CSCCSc1cc(c(=O)[nH]n1)N 62a_100000212216_100000102183 [0,1,0,0,0,0|2,0,0]=3 770 B13R1.669 CSCCSc1cc(c(cn1)C)O 62a_100000212216_100000704368 [0,1,0,0,0,0|3,0,0]=4 771 B13R1.669 CSCCSc1cc(c(cn1)C)O 62a_100000704368_100000751147 [0,1,0,0,0,0|3,0,0]=4 772 B13R1.669 CSCCSc1cc(c(cn1)F)O 62a_100000212216_100009854642 [0,1,0,0,0,0|3,0,0]=4 773 B13R1.669 CSCCSc1cc(c(cn1)F)O 62a_100009854642_100000751147 [0,1,0,0,0,0|3,0,0]=4 774 B13R1.669 Cc1cc(n[nH]c1=O)SCCC#N 62a_100011215226_100012187101 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.669 Cc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100012187101 [0,1,0,0,0,0|2,0,0]=3 776 B13R1.669 Cc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100012187101 [0,1,0,0,0,0|2,0,0]=3 777 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100000704368_100011934791 [0,1,0,0,0,0|3,0,0]=4 778 B13R1.669 Cc1cnc(cc1O)SCCCF 62a_100011934791_100000704368 [0,1,0,0,0,0|3,0,0]=4 779 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100000704368_100011215043 [0,1,0,0,0,0|3,0,0]=4 780 B13R1.669 Cc1cnc(cc1O)SCCCO 62a_100011215043_100000704368 [0,1,0,0,0,0|3,0,0]=4 781 B13R1.669 N#CCCSc1c[nH]c(=O)c(c1)O 62a_100011215226_100009814561 [0,1,0,0,0,0|2,0,1]=4 782 B13R1.669 N#CCCSc1cc(c(=O)[nH]n1)N 62a_100011215226_100000102183 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.669 Nc1cc(n[nH]c1=O)SCCCF 62a_100011934791_100000102183 [0,1,0,0,0,0|2,0,0]=3 784 B13R1.669 Nc1cc(n[nH]c1=O)SCCCO 62a_100011215043_100000102183 [0,1,0,0,0,0|2,0,0]=3 785 B13R1.669 O=c1[nH]cc(cc1Br)SCCCF 62a_100010125443_100011934791 [0,1,0,0,0,0|3,0,0]=4 786 B13R1.669 O=c1[nH]cc(cc1Br)SCCCF 62a_100011934791_100010125443 [0,1,0,0,0,0|3,0,0]=4 787 B13R1.669 O=c1[nH]cc(cc1Br)SCCCO 62a_100010125443_100011215043 [0,1,0,0,0,0|3,0,0]=4 788 B13R1.669 O=c1[nH]cc(cc1Br)SCCCO 62a_100011215043_100010125443 [0,1,0,0,0,0|3,0,0]=4 789 B13R1.669 O=c1[nH]cc(cc1Cl)CNCCO 207a_100000210304_100000051075 [0,1,0,0,0,0|3,0,0]=4 790 B13R1.669 O=c1[nH]cc(cc1Cl)CNCCO 270004a_100000210304_100000051075 [0,1,0,0,0,0|3,0,0]=4 791 B13R1.669 O=c1[nH]cc(cc1F)SCCCF 62a_100000723523_100011934791 [0,1,0,0,0,0|3,0,0]=4 792 B13R1.669 O=c1[nH]cc(cc1F)SCCCF 62a_100011934791_100000723523 [0,1,0,0,0,0|3,0,0]=4 793 B13R1.669 O=c1[nH]cc(cc1F)SCCCO 62a_100000723523_100011215043 [0,1,0,0,0,0|3,0,0]=4 794 B13R1.669 O=c1[nH]cc(cc1F)SCCCO 62a_100011215043_100000723523 [0,1,0,0,0,0|3,0,0]=4 795 B13R1.669 O=c1[nH]cc(cc1O)SCCCF 62a_100011934791_100009814561 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.669 O=c1[nH]cc(cc1O)SCCCO 62a_100011215043_100009814561 [0,1,0,0,0,0|2,0,0]=3 797 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100009854642_100011215043 [0,1,0,0,0,0|3,0,0]=4 798 B13R1.669 OCCCSc1cc(c(cn1)F)O 62a_100011215043_100009854642 [0,1,0,0,0,0|3,0,0]=4 799 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100009854642_100011934791 [0,1,0,0,0,0|3,0,0]=4 800 B13R1.669 Oc1cc(ncc1F)SCCCF 62a_100011934791_100009854642 [0,1,0,0,0,0|3,0,0]=4 801 B13R1.1630 CCCCc1cc(c(=O)[nH]c1C)N 271570a_100020621405_100010126670 [0,1,0,0,0,0|2,0,0]=3 802 B13R1.1630 CCCCc1cc(c([nH]c1=O)C)C 271570a_100020621405_100010064231 [0,1,0,0,0,0|3,0,0]=4 803 B13R1.1630 CCCCc1cc(c(cc1Br)Cl)O 271570a_100020621405_100021297947 [0,1,0,0,0,0|3,0,0]=4 804 B13R1.1630 CCCCc1cc(c(cc1C)F)O 271570a_100020621405_100010068922 [0,1,0,0,0,0|3,0,0]=4 805 B13R1.1630 CCCCc1cc(c(cc1C)N)O 271570a_100020621405_200010107346 [0,1,0,0,0,0|3,0,0]=4 806 B13R1.1630 CCCCc1cc(c(cc1F)C)O 271570a_100020621405_100014242602 [0,1,0,0,0,0|3,0,0]=4 807 B13R1.1630 CCCCc1cc(c(cc1F)Cl)O 271570a_100020621405_100010735246 [0,1,0,0,0,0|3,0,0]=4 808 B13R1.1630 CCCCc1cc(c(cc1F)F)O 271570a_100020621405_100012457948 [0,1,0,0,0,0|3,0,0]=4 809 B13R1.1630 CCCCc1cc(c(cc1F)N)O 271570a_100020621405_100013038943 [0,1,0,0,0,0|3,0,0]=4 810 B13R1.1630 CCCCc1cn(c(=O)[nH]c1=O)C 271570a_100020621405_100000185368 [0,1,0,0,0,0|3,0,0]=4 811 B13R1.1630 CCCSc1cc(c(=O)[nH]c1C)N 62a_100000210303_100010126670 [0,1,0,0,0,0|3,0,0]=4 812 B13R1.1630 CCCSc1cc(c(=O)[nH]c1C)N 62a_100010126670_100000210303 [0,1,0,0,0,0|3,0,0]=4 813 B13R1.2879 CC(CO)Sc1c[nH]c(=O)c(c1)O 62a_100012180447_100009814561 [0,1,0,0,0,0|3,0,0]=4 814 B13R1.2879 CC(CO)Sc1cc(c(=O)[nH]n1)N 62a_100012180447_100000102183 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100000758301_100010125443 [0,1,0,0,0,0|3,0,0]=4 816 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000758301 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000723523_100000758301 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000758301_100000723523 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.2879 CCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000758301_100009814561 [0,1,0,0,0,0|2,0,0]=3 820 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000758301_100012187101 [0,1,0,0,0,0|2,0,0]=3 821 B13R1.2879 CCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000758301_100000102183 [0,1,0,0,0,0|2,0,0]=3 822 B13R1.2879 CCC(C)Sc1cc(c(cn1)C)O 62a_100000704368_100000758301 [0,1,0,0,0,0|3,0,0]=4 823 B13R1.2879 CCC(C)Sc1cc(c(cn1)C)O 62a_100000758301_100000704368 [0,1,0,0,0,0|3,0,0]=4 824 B13R1.2879 CCC(C)Sc1cc(c(cn1)F)O 62a_100000758301_100009854642 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.2879 CCC(C)Sc1cc(c(cn1)F)O 62a_100009854642_100000758301 [0,1,0,0,0,0|3,0,0]=4 826 B13R1.2879 COC(C)Sc1c[nH]c(=O)c(c1)O 62a_100009879195_100009814561 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.2879 COC(C)Sc1cc(c(=O)[nH]n1)C 62a_100009879195_100012187101 [0,1,0,0,0,0|3,0,0]=4 828 B13R1.2879 COC(C)Sc1cc(c(=O)[nH]n1)N 62a_100009879195_100000102183 [0,1,0,0,0,0|3,0,0]=4 829 B13R1.2879 C[C@H](CO)Sc1c[nH]c(=O)c(c1)O 62a_100016084084_100009814561 [0,1,0,0,0,0|3,0,0]=4 830 B13R1.2879 C[C@H](CO)Sc1cc(c(=O)[nH]n1)N 62a_100016084084_100000102183 [0,1,0,0,0,0|3,0,0]=4 831 B13R1.2879 Cc1cc(n[nH]c1=O)SC(C)CO 62a_100012180447_100012187101 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.2879 Cc1cc(n[nH]c1=O)S[C@H](C)CO 62a_100016084084_100012187101 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.3518 CCCCc1c[nH]c(=O)c(c1C)N 271570a_100020621405_100010163742 [0,1,0,0,0,0|2,0,0]=3 834 B13R1.3518 CCCCc1ccc(c(c1F)O)Br 271570a_100020621405_200010782288 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.3518 CCCCc1ccc(c(c1F)O)F 271570a_100020621405_100010167067 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.3518 CCCCc1ccc(c(c1N)O)Br 271570a_100020621405_100020748643 [0,1,0,0,0,0|3,0,0]=4 837 B13R1.3518 CCCCc1ncc(c(c1N)N)C 271570a_100020621405_200000097298 [0,1,0,0,0,0|3,0,0]=4 838 B13R1.3518 CCCCc1ncc(c(c1N)N)F 271570a_100020621405_200009878142 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.3518 CCCCc1nnc(c(c1C)C)N 271570a_100020621405_100011835879 [0,1,0,0,0,0|2,0,1]=4 840 B13R1.3518 CCCSc1c[nH]c(=O)c(c1C)N 62a_100000210303_100010163742 [0,1,0,0,0,0|3,0,0]=4 841 B13R1.3518 CCCSc1c[nH]c(=O)c(c1C)N 62a_100010163742_100000210303 [0,1,0,0,0,0|3,0,0]=4 842 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,0,1,0,0,0|2,0,1]=4 843 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,0,1,0,0,0|2,0,1]=4 844 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,0,1,0,0,0|2,0,1]=4 845 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,0,1,0,0,0|2,0,1]=4 846 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,0,1,0,0,0|1,0,2]=4 847 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,0,1,0,0,0|2,0,1]=4 848 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,0,1,0,0,0|2,0,1]=4 849 B11R0.42 C=C(Cl)C(=O)NNCCCCC 22a_100000694160_100000039160 [0,0,1,0,0,0|1,0,2]=4 850 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,0,1,0,0,0|2,0,1]=4 851 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,0,1,0,0,0|2,0,1]=4 852 B11R0.42 C=C(F)C(=O)NNCCCCC 22a_100000694160_100000036797 [0,0,1,0,0,0|1,0,2]=4 853 B11R0.42 CCCCC=NNC(=O)C(=O)N 4a_100000211141_100000210104 [0,0,1,0,0,0|1,0,1]=3 854 B11R0.42 CCCCC=NNC(=O)C(C)C 4a_100000184118_100000210104 [0,0,1,0,0,0|1,0,2]=4 855 B11R0.42 CSCCC=NNC(=O)C(=O)N 4a_100000211141_100000210997 [0,0,1,0,0,0|2,0,1]=4 856 B11R0.70 C=CC(=O)NCC(=O)CCCC 1458a_200011222540_100000210211 [0,0,1,0,0,0|3,0,0]=4 857 B11R0.70 C=CC(=O)NNC(=O)CCCC 22a_100000189769_100000185746 [0,0,1,0,0,0|2,0,1]=4 858 B11R0.70 CCCCC(=NNC(=O)CC)C 4a_100000183195_100000210087 [0,0,1,0,0,0|1,0,2]=4 859 B11R0.70 CCCCC(=O)NNC(=O)CO 22a_100000189769_100000210174 [0,0,1,0,0,0|1,0,2]=4 860 B11R0.158 CC=CC(=NNCC)CCCC 4a_100000756455_200011216960 [0,0,1,0,0,0|2,0,1]=4 861 B13R2.32 Oc1ccc2c(c1O)CCCC2 271570a_203496583355_200010391107 [0,0,0,1,0,0|2,0,1]=4 862 B13R2.521 Cc1cnc(cc1O)SC2CC2 62a_100000704368_100000211595 [0,0,0,1,0,0|3,0,0]=4 863 B13R2.521 O=c1[nH]cc(cc1Br)SC2CC2 62a_100010125443_100000211595 [0,0,0,1,0,0|3,0,0]=4 864 B13R2.521 O=c1[nH]cc(cc1F)SC2CC2 62a_100000723523_100000211595 [0,0,0,1,0,0|3,0,0]=4 865 B13R2.521 Oc1cc(ncc1F)SC2CC2 62a_100009854642_100000211595 [0,0,0,1,0,0|3,0,0]=4 866 B11R1.212 CCCCc1n[nH]c(c1C)C 271570a_100020621405_100015309786 [0,0,0,0,1,0|2,0,0]=3 867 B11R1.212 CCCSc1n[nH]c(c1C)C 62a_100000210303_100015309786 [0,0,0,0,1,0|3,0,0]=4 868 B11R1.212 CCCSc1n[nH]c(c1C)C 62a_100015309786_100000210303 [0,0,0,0,1,0|3,0,0]=4 869 B11R1.212 CCSCc1n[nH]c(=O)n1C 62a_100000210202_100010408635 [0,0,0,0,1,0|3,0,0]=4 870 B11R1.212 CCSCc1n[nH]c(=O)n1C 62a_100010408635_100000210202 [0,0,0,0,1,0|3,0,0]=4 871 B11R1.231 CCCCc1cc(c(s1)C)C 271570a_100020621405_100009850898 [0,0,0,0,1,0|3,0,0]=4 872 B11R1.231 CCCCc1cc(n(n1)C)C 271570a_100020621405_100012001299 [0,0,0,0,1,0|3,0,0]=4 873 B11R1.231 CCCCc1cc(n(n1)C)N 271570a_100020621405_100000734454 [0,0,0,0,1,0|3,0,0]=4 874 B11R1.231 CCCCc1cn(c(n1)C)C 271570a_100020621405_100000684932 [0,0,0,0,1,0|3,0,0]=4 875 B11R1.231 CCCCc1cn(c(n1)N)C 271570a_100020621405_100025756272 [0,0,0,0,1,0|3,0,0]=4 876 B11R1.231 CCCCc1nc(c(s1)C)C 271570a_100020621405_100000765934 [0,0,0,0,1,0|3,0,0]=4 877 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,0,1,0,0,0|1,0,1]=4 878 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,0,1,0,0,0|1,0,1]=4 879 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [1,0,1,0,0,0|0,0,2]=4 880 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [1,0,1,0,0,0|1,0,1]=4 881 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [1,0,1,0,0,0|1,0,1]=4 882 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [1,0,1,0,0,0|1,0,1]=4 883 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,0,1,0,0,0|1,0,1]=4 884 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,0,1,0,0,0|1,0,1]=4 885 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,0,1,0,0,0|1,0,1]=4 886 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,0,1,0,0,0|1,0,1]=4 887 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [1,0,1,0,0,0|0,0,2]=4 888 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,0,1,0,0,0|1,0,1]=4 889 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,0,1,0,0,0|1,0,1]=4 890 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,0,1,0,0,0|1,0,1]=4 891 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [1,0,1,0,0,0|1,0,1]=4 892 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [1,0,1,0,0,0|1,0,1]=4 893 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [1,0,1,0,0,0|1,0,1]=4 894 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [1,0,1,0,0,0|1,0,1]=4 895 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [1,0,1,0,0,0|1,0,1]=4 896 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [1,0,1,0,0,0|1,0,1]=4 897 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [1,0,1,0,0,0|1,0,1]=4 898 B10R0.75 C=C(Cl)C(=O)NNCCCC 22a_100025702795_100000039160 [1,0,1,0,0,0|1,0,1]=4 899 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [1,0,1,0,0,0|1,0,1]=4 900 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [1,0,1,0,0,0|1,0,1]=4 901 B10R0.75 C=C(F)C(=O)NNCCCC 22a_100025702795_100000036797 [1,0,1,0,0,0|1,0,1]=4 902 B10R0.75 CCCC=NNC(=O)C(=O)N 4a_100000211141_100000185831 [1,0,1,0,0,0|1,0,1]=4 903 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [1,0,1,0,0,0|0,0,2]=4 904 B10R1.1 CC=Cc1ccc(=O)[nH]n1 271570a_100016259895_100009820020 [2,0,0,0,0,0|0,0,2]=4 905 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [2,0,0,0,0,0|2,0,0]=4 906 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [2,0,0,0,0,0|2,0,0]=4 907 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [2,0,0,0,0,0|2,0,0]=4 908 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100000210202_100009820020 [2,0,0,0,0,0|1,0,0]=3 909 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210202 [2,0,0,0,0,0|1,0,0]=3 910 B10R1.1 CNCc1ccc(=O)[nH]n1 207a_100102657272_100011361533 [2,0,0,0,0,0|1,0,0]=3 911 B10R1.1 CNCc1ccc(=O)[nH]n1 270004a_106832991635_100011361533 [2,0,0,0,0,0|1,0,0]=3 912 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [2,0,0,0,0,0|2,0,0]=4 913 B10R1.1 O=c1ccc(n[nH]1)SCF 62a_100009820020_100015361967 [2,0,0,0,0,0|2,0,0]=4 914 B10R1.1 O=c1ccc(n[nH]1)SCF 62a_100015361967_100009820020 [2,0,0,0,0,0|2,0,0]=4 915 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [2,0,0,0,0,0|2,0,0]=4 916 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|2,0,0]=4 917 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|1,0,0]=3 918 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|1,0,1]=4 919 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [2,0,0,0,0,0|0,0,1]=3 920 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [2,0,0,0,0,0|2,0,0]=4 921 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [2,0,0,0,0,0|2,0,0]=4 922 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [2,0,0,0,0,0|2,0,0]=4 923 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [2,0,0,0,0,0|2,0,0]=4 924 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [2,0,0,0,0,0|2,0,0]=4 925 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [2,0,0,0,0,0|1,0,1]=4 926 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [2,0,0,0,0,0|1,0,1]=4 927 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 928 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [2,0,0,0,0,0|2,0,0]=4 929 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 930 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [2,0,0,0,0,0|1,0,1]=4 931 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [2,0,0,0,0,0|1,0,1]=4 932 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [2,0,0,0,0,0|2,0,0]=4 933 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [2,0,0,0,0,0|1,0,1]=4 934 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [2,0,0,0,0,0|2,0,0]=4 935 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [2,0,0,0,0,0|2,0,0]=4 936 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [2,0,0,0,0,0|1,0,1]=4 937 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [2,0,0,0,0,0|1,0,1]=4 938 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 939 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 940 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 941 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 942 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 943 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 945 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 946 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|2,0,0]=4 947 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [2,0,0,0,0,0|2,0,0]=4 948 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [2,0,0,0,0,0|2,0,0]=4 949 B10R1.10 CCSc1cc(cnn1)O 62a_100000210202_200010734679 [2,0,0,0,0,0|1,0,1]=4 950 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [2,0,0,0,0,0|2,0,0]=4 951 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [2,0,0,0,0,0|2,0,0]=4 952 B10R1.176 CSc1cc(c(=O)[nH]n1)C 62a_200000210301_100012187101 [2,0,0,0,0,0|2,0,0]=4 953 B10R1.176 CSc1cc(c(=O)[nH]n1)N 62a_200000210301_100000102183 [2,0,0,0,0,0|2,0,0]=4 954 B10R1.176 Cc1cc(n[nH]c1=O)S[13CH3] 62a_200025704644_100012187101 [2,0,0,0,0,0|2,0,0]=4 955 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [2,0,0,0,0,0|2,0,0]=4 956 B10R1.176 [13CH3]Sc1cc(c(=O)[nH]n1)N 62a_200025704644_100000102183 [2,0,0,0,0,0|2,0,0]=4 957 B12R0.48 C=C(C)C(=O)NCC(=O)CCCC 1458a_100000076187_100000210211 [0,1,1,0,0,0|2,0,0]=4 958 B12R0.48 C=C(C)C(=O)NNC(=O)CCCC 22a_100000189769_100000185857 [0,1,1,0,0,0|1,0,1]=4 959 B12R0.48 C=C(Cl)C(=O)NNC(=O)CCCC 22a_100000189769_100000039160 [0,1,1,0,0,0|1,0,1]=4 960 B12R0.48 C=C(F)C(=O)NNC(=O)CCCC 22a_100000189769_100000036797 [0,1,1,0,0,0|1,0,1]=4 961 B12R0.48 CCCCC(=NNC(=O)C(=O)N)C 4a_100000211141_100000210087 [0,1,1,0,0,0|1,0,1]=4 962 B12R0.49 C=C(CO)C(=O)NNCCCCC 22a_100000694160_200000705526 [0,1,1,0,0,0|0,0,2]=4 963 B12R0.49 CCCCC=NNC(=O)C(C)OC 4a_100000243824_100000210104 [0,1,1,0,0,0|0,0,2]=4 964 B12R0.251 CCCCCC=NNC(=O)C(=O)N 4a_100000211141_100000737632 [0,1,1,0,0,0|1,0,1]=4 965 B12R0.251 NC(=O)C(=O)NN=CCCCCO 4a_100000211141_100000031955 [0,1,1,0,0,0|1,0,1]=4 966 B12R0.279 CCCC(C)C=NNC(=O)C(=O)N 4a_100000211141_100000243154 [0,1,1,0,0,0|1,0,1]=4 967 B12R0.101 CCCCC(=NNC(=O)COC)C 4a_100000216845_100000210087 [0,1,1,0,0,0|0,0,2]=4 968 B12R0.12 CC=CC(=NNC(=O)C)CCCC 4a_100000189765_200011216960 [0,1,1,0,0,0|1,0,0]=3 969 B12R1.1 C#CCCSc1ccc(=O)[nH]n1 62a_100000688953_100009820020 [1,1,0,0,0,0|0,0,2]=4 970 B12R1.1 C#CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000688953 [1,1,0,0,0,0|0,0,2]=4 971 B12R1.1 C/C=C/CSc1ccc(=O)[nH]n1 62a_100009820020_100102629194 [1,1,0,0,0,0|0,0,2]=4 972 B12R1.1 C/C=C/CSc1ccc(=O)[nH]n1 62a_100102629194_100009820020 [1,1,0,0,0,0|0,0,2]=4 973 B12R1.1 C=CCCSc1ccc(=O)[nH]n1 62a_100000754431_100009820020 [1,1,0,0,0,0|0,0,2]=4 974 B12R1.1 C=CCCSc1ccc(=O)[nH]n1 62a_100009820020_100000754431 [1,1,0,0,0,0|0,0,2]=4 975 B12R1.1 C=CCNCc1ccc(=O)[nH]n1 270004a_100020586998_100011361533 [1,1,0,0,0,0|0,0,2]=4 976 B12R1.1 CC#CCSc1ccc(=O)[nH]n1 62a_100000748600_100009820020 [1,1,0,0,0,0|0,0,2]=4 977 B12R1.1 CC#CCSc1ccc(=O)[nH]n1 62a_100009820020_100000748600 [1,1,0,0,0,0|0,0,2]=4 978 B12R1.1 CC=CCSc1ccc(=O)[nH]n1 62a_100000070051_100009820020 [1,1,0,0,0,0|0,0,2]=4 979 B12R1.1 CC=CCSc1ccc(=O)[nH]n1 62a_100009820020_100000070051 [1,1,0,0,0,0|0,0,2]=4 980 B12R1.1 CCCC=Cc1ccc(=O)[nH]c1 271570a_100016258520_100000212171 [1,1,0,0,0,0|1,0,1]=4 981 B12R1.1 CCCC=Cc1ccc(=O)[nH]n1 271570a_100016258520_100009820020 [1,1,0,0,0,0|0,0,1]=3 982 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [1,1,0,0,0,0|1,0,1]=4 984 B12R1.1 CCCCNc1ccc(nn1)C 27a_100000102301_100000744512 [1,1,0,0,0,0|1,0,1]=4 985 B12R1.1 CCCCNc1ccc(nn1)O 271570a_203496583355_100000215281 [1,1,0,0,0,0|0,0,2]=4 986 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [1,1,0,0,0,0|1,0,0]=3 987 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [1,1,0,0,0,0|2,0,0]=4 988 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [1,1,0,0,0,0|1,0,0]=3 992 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [1,1,0,0,0,0|1,0,0]=3 993 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100000210211_100009820020 [1,1,0,0,0,0|0,0,0]=2 994 B12R1.1 CCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210210 [1,1,0,0,0,0|0,0,0]=2 995 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [1,1,0,0,0,0|2,0,0]=4 1004 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [1,1,0,0,0,0|2,0,0]=4 1005 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [1,1,0,0,0,0|1,0,1]=4 1006 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [1,1,0,0,0,0|1,0,1]=4 1007 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000210211_100000744512 [1,1,0,0,0,0|1,0,1]=4 1008 B12R1.1 CCCCSc1ccc(nn1)C 62a_100000744512_100000210210 [1,1,0,0,0,0|1,0,1]=4 1009 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000068654_100000210210 [1,1,0,0,0,0|1,0,1]=4 1010 B12R1.1 CCCCSc1ccc(nn1)Cl 62a_100000210211_100000068654 [1,1,0,0,0,0|1,0,1]=4 1011 B12R1.1 CCCCSc1ccc(nn1)N 62a_100000210211_100010219413 [1,1,0,0,0,0|1,0,1]=4 1012 B12R1.1 CCCCSc1ccc(nn1)N 62a_100010219413_100000210210 [1,1,0,0,0,0|1,0,1]=4 1013 B12R1.1 CCCCSc1cnc(=O)[nH]c1 62a_100000210211_102495366499 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.1 CCCCSc1cnc(=O)[nH]c1 62a_102495366499_100000210210 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [1,1,0,0,0,0|0,0,0]=2 1016 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [1,1,0,0,0,0|0,0,0]=2 1017 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [1,1,0,0,0,0|2,0,0]=4 1018 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [1,1,0,0,0,0|2,0,0]=4 1023 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.1 CCCNCc1ccc(nn1)Cl 270004a_100020643023_100000044651 [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [1,1,0,0,0,0|1,0,0]=3 1031 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [1,1,0,0,0,0|2,0,0]=4 1035 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [1,1,0,0,0,0|2,0,0]=4 1036 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [1,1,0,0,0,0|2,0,0]=4 1038 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [1,1,0,0,0,0|1,0,1]=4 1041 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100000210303_100016992710 [1,1,0,0,0,0|1,0,1]=4 1050 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100016992710_100000210303 [1,1,0,0,0,0|1,0,1]=4 1051 B12R1.1 CCNN=Cc1ccc(=O)[nH]n1 4a_100000756455_100011361533 [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.1 CCOC=Cc1ccc(=O)[nH]n1 271570a_100016256518_100009820020 [1,1,0,0,0,0|0,0,2]=4 1053 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.1 CCOCSc1ccc(=O)[nH]c1 62a_100000212171_100000739092 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.1 CCOCSc1ccc(=O)[nH]c1 62a_100000739092_100000212171 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100000739092_100009820020 [1,1,0,0,0,0|1,0,0]=3 1057 B12R1.1 CCOCSc1ccc(=O)[nH]n1 62a_100009820020_100000739092 [1,1,0,0,0,0|1,0,0]=3 1058 B12R1.1 COCC=Cc1ccc(=O)[nH]n1 271570a_100016286323_100009820020 [1,1,0,0,0,0|0,0,2]=4 1059 B12R1.1 COCCOc1ccc(=O)[nH]c1 34a_100000075641_100011201679 [1,1,0,0,0,0|2,0,0]=4 1060 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000212171_100000233755 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.1 COCCSc1ccc(=O)[nH]c1 62a_100000233755_100000212171 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100000233755_100009820020 [1,1,0,0,0,0|1,0,0]=3 1063 B12R1.1 COCCSc1ccc(=O)[nH]n1 62a_100009820020_100000233755 [1,1,0,0,0,0|1,0,0]=3 1064 B12R1.1 CSCCOc1ccc(=O)[nH]c1 34a_100000075641_100000212216 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.1 CSCCSc1ccc(=O)[nH]c1 62a_100000212171_100000751147 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.1 CSCCSc1ccc(=O)[nH]c1 62a_100000212216_100000212171 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100000212216_100009820020 [1,1,0,0,0,0|1,0,0]=3 1068 B12R1.1 CSCCSc1ccc(=O)[nH]n1 62a_100009820020_100000751147 [1,1,0,0,0,0|1,0,0]=3 1069 B12R1.1 CSCOCc1ccc(=O)[nH]c1 34a_100011999846_100011218213 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.1 N#CCCSc1ccc(=O)[nH]n1 62a_100009820020_100011215226 [1,1,0,0,0,0|1,0,1]=4 1071 B12R1.1 N#CCCSc1ccc(=O)[nH]n1 62a_100011215226_100009820020 [1,1,0,0,0,0|1,0,1]=4 1072 B12R1.1 O=c1ccc(c[nH]1)COCCF 34a_100011999846_100011217306 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [1,1,0,0,0,0|2,0,0]=4 1074 B12R1.1 O=c1ccc(c[nH]1)OCCCF 34a_100000075641_100011934791 [1,1,0,0,0,0|2,0,0]=4 1075 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [1,1,0,0,0,0|2,0,0]=4 1076 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100000212171_100011934791 [1,1,0,0,0,0|2,0,0]=4 1077 B12R1.1 O=c1ccc(c[nH]1)SCCCF 62a_100011934791_100000212171 [1,1,0,0,0,0|2,0,0]=4 1078 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.1 O=c1ccc(n[nH]1)CNCCO 207a_100000210304_100011361533 [1,1,0,0,0,0|1,0,0]=3 1081 B12R1.1 O=c1ccc(n[nH]1)CNCCO 270004a_100000210304_100011361533 [1,1,0,0,0,0|1,0,0]=3 1082 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100009820020_100011934791 [1,1,0,0,0,0|1,0,0]=3 1083 B12R1.1 O=c1ccc(n[nH]1)SCCCF 62a_100011934791_100009820020 [1,1,0,0,0,0|1,0,0]=3 1084 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100009820020_100011215043 [1,1,0,0,0,0|1,0,0]=3 1085 B12R1.1 O=c1ccc(n[nH]1)SCCCO 62a_100011215043_100009820020 [1,1,0,0,0,0|1,0,0]=3 1086 B12R1.21 C=C(C)CSc1ccc(=O)[nH]n1 62a_100000748629_100009820020 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.21 C=C(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000211660 [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [1,1,0,0,0,0|0,0,1]=3 1089 B12R1.21 CC(C)C=Cc1ccc(=O)[nH]n1 271570a_100016257149_100009820020 [1,1,0,0,0,0|0,0,2]=4 1090 B12R1.21 CC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000210624 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000210624_100000212171 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.21 CC(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000210760 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100000210624_100009820020 [1,1,0,0,0,0|1,0,0]=3 1094 B12R1.21 CC(C)CSc1ccc(=O)[nH]n1 62a_100009820020_100000210760 [1,1,0,0,0,0|1,0,0]=3 1095 B12R1.21 CC(C)NCc1ccc(=O)[nH]n1 207a_100138425928_100011361533 [1,1,0,0,0,0|1,0,0]=3 1096 B12R1.21 CC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100000210206 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.21 CC(O)C=Cc1ccc(=O)[nH]n1 271570a_200011019289_100009820020 [1,1,0,0,0,0|0,0,2]=4 1098 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100000212171_100011218427 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.21 CC(O)CSc1ccc(=O)[nH]c1 62a_100011218427_100000212171 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100009820020_100011218427 [1,1,0,0,0,0|1,0,0]=3 1102 B12R1.21 CC(O)CSc1ccc(=O)[nH]n1 62a_100011218427_100009820020 [1,1,0,0,0,0|1,0,0]=3 1103 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100000212171_100009817552 [1,1,0,0,0,0|2,0,0]=4 1105 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]c1 62a_100009817552_100000212171 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009817552_100009820020 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.21 C[C@@H](O)CSc1ccc(=O)[nH]n1 62a_100009820020_100009817552 [1,1,0,0,0,0|1,0,0]=3 1108 B12R1.21 O=c1ccc(n[nH]1)SCC(F)F 62a_100009820020_100011934356 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.21 O=c1ccc(n[nH]1)SCC(F)F 62a_100011934356_100009820020 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [1,1,0,0,0,0|0,0,1]=3 1111 B12R1.49 CC(CO)Sc1ccc(=O)[nH]n1 62a_100012180447_100009820020 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.49 CCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100011215416 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.49 CCC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000758301 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.49 CCC(C)Sc1ccc(=O)[nH]c1 62a_100000758301_100000212171 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.49 CCC(C)Sc1ccc(=O)[nH]n1 62a_100000758301_100009820020 [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.49 CCC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000758301 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.49 COC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100009879195 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.49 COC(C)Sc1ccc(=O)[nH]n1 62a_100009879195_100009820020 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]n1 62a_100009820020_100016084084 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]n1 62a_100016084084_100009820020 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.69 CCCCc1c[nH]c(=O)cc1F 271570a_100020621405_100015631685 [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.69 CCCCc1c[nH]c(=O)nc1N 271570a_100020621405_100000050048 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.69 CCCCc1ccc(=O)[nH]c1N 271570a_100020621405_100009884077 [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.69 CCCCc1n[nH]c(=O)[nH]c1=O 271570a_100020621405_100000181694 [1,1,0,0,0,0|1,0,0]=3 1125 B12R1.69 CCCCc1n[nH]c(=O)cc1C 271570a_100020621405_100000081757 [1,1,0,0,0,0|0,0,0]=2 1126 B12R1.69 CCCCc1ncc(cc1Br)Cl 271570a_100020621405_100012154958 [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.69 CCCCc1ncc(cc1C)Br 271570a_100020621405_100012353652 [1,1,0,0,0,0|2,0,0]=4 1128 B12R1.69 CCCCc1ncc(cc1C)C 271570a_100020621405_100009864548 [1,1,0,0,0,0|2,0,0]=4 1129 B12R1.69 CCCCc1ncc(cc1C)F 271570a_100020621405_100009817009 [1,1,0,0,0,0|2,0,0]=4 1130 B12R1.69 CCCCc1ncc(cc1C)N 271570a_100020621405_100000761747 [1,1,0,0,0,0|2,0,0]=4 1131 B12R1.69 CCCCc1ncc(cc1C)O 271570a_100020621405_100012000486 [1,1,0,0,0,0|1,0,1]=4 1132 B12R1.69 CCCCc1ncc(cc1F)Br 271570a_100020621405_100012348576 [1,1,0,0,0,0|2,0,0]=4 1133 B12R1.69 CCCCc1ncc(cc1F)C 271570a_100020621405_100009819633 [1,1,0,0,0,0|2,0,0]=4 1134 B12R1.69 CCCCc1ncc(cc1F)Cl 271570a_100020621405_100012348686 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.69 CCCCc1ncc(cc1F)F 271570a_100020621405_100011219543 [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.69 CCCCc1ncc(cc1F)N 271570a_100020621405_100010280766 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.69 CCCCc1ncc(cc1F)O 271570a_100020621405_100000063512 [1,1,0,0,0,0|1,0,1]=4 1138 B12R1.69 CCCCc1ncc(cc1N)Br 271570a_100020621405_100010090555 [1,1,0,0,0,0|2,0,0]=4 1139 B12R1.69 CCCCc1ncc(cc1N)C 271570a_100020621405_100000733613 [1,1,0,0,0,0|2,0,0]=4 1140 B12R1.69 CCCCc1ncc(cc1N)F 271570a_100020621405_100009817643 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.69 CCCCc1ncc(cc1N)N 271570a_100020621405_200000093520 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.69 CCCCc1ncc(cc1O)Br 271570a_100020621405_100010210634 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.69 CCCCc1ncc(cc1O)C 271570a_100020621405_100012000487 [1,1,0,0,0,0|2,0,0]=4 1144 B12R1.69 CCCCc1ncc(cc1O)Cl 271570a_100020621405_100010233512 [1,1,0,0,0,0|2,0,0]=4 1145 B12R1.69 CCCCc1ncc(cc1O)F 271570a_100020621405_100000079967 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.69 CCCCc1nnc(cc1C)N 271570a_100020621405_100000123434 [1,1,0,0,0,0|1,0,1]=4 1147 B12R1.69 CCCSc1c[nH]c(=O)cc1F 62a_100000210303_100015631685 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.69 CCCSc1c[nH]c(=O)cc1F 62a_100015631685_100000210303 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.69 CCCSc1ccc(=O)[nH]c1N 62a_100009884077_100000210303 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.69 CCCSc1n[nH]c(=O)[nH]c1=O 62a_100000210303_100000181694 [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.69 CCCSc1n[nH]c(=O)cc1C 62a_100000210303_100000081757 [1,1,0,0,0,0|1,0,0]=3 1152 B12R1.69 COCSc1n[nH]c(=O)cc1C 62a_100000766300_100000081757 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.69 CSCSc1n[nH]c(=O)cc1C 62a_100011218213_100000081757 [1,1,0,0,0,0|2,0,0]=4 1154 B12R1.69 Cc1cc(=O)[nH]nc1SCCF 62a_100011217306_100000081757 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.69 Cc1cc(=O)[nH]nc1SCCO 62a_100000211926_100000081757 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [1,1,0,0,0,0|2,0,0]=4 1157 B12R1.71 CCCCc1ccc(cn1)C#N 271570a_100020621405_100000241038 [1,1,0,0,0,0|2,0,0]=4 1158 B12R1.71 CCCCc1ccc(cn1)C=O 271570a_100020621405_100000766901 [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.71 CCCCc1ccc(cn1)CC 271570a_100020621405_100009843584 [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.71 CCCCc1ccc(cn1)CN 271570a_100020621405_100009817727 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.71 CCCCc1ccc(cn1)CO 271570a_100020621405_100009816760 [1,1,0,0,0,0|1,0,1]=4 1162 B12R1.71 CCCCc1ccc(cn1)NC 271570a_100020621405_100000764248 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.71 CCCCc1ccc(cn1)NN 271570a_100020621405_100000119030 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.71 CCCCc1ccc(cn1)OC 271570a_100020621405_100000755202 [1,1,0,0,0,0|1,0,1]=4 1165 B12R1.71 CCCCc1ccc(cn1)SC 271570a_100020621405_100009820866 [1,1,0,0,0,0|1,1,0]=4 1166 B12R1.71 CCCCc1ccc(nc1)C=O 271570a_100020621405_100000754260 [1,1,0,0,0,0|1,0,1]=4 1167 B12R1.71 CCCCc1ccc(nn1)C#N 271570a_100020621405_100000094388 [1,1,0,0,0,0|1,0,1]=4 1168 B12R1.71 CCCCc1ccc(nn1)C=O 271570a_100020621405_100000044651 [1,1,0,0,0,0|0,0,1]=3 1169 B12R1.71 CCCCc1ccc(nn1)NC 271570a_100020621405_100000215272 [1,1,0,0,0,0|1,0,1]=4 1170 B12R1.71 CCCCc1ccc(nn1)NN 271570a_100020621405_100000182438 [1,1,0,0,0,0|1,0,1]=4 1171 B12R1.71 CCCCc1ccc(nn1)OC 271570a_100020621405_100009819040 [1,1,0,0,0,0|0,0,2]=4 1172 B12R1.71 CCCCc1cnc(cn1)C=O 271570a_100020621405_100012001714 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.71 CCCCc1ncc(cn1)C=O 271570a_100020621405_100000070856 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000210303_100000766901 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.71 CCCSc1ccc(cn1)C=O 62a_100000766901_100000210303 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.71 CCCSc1ccc(nn1)C=O 62a_100000044651_100000210303 [1,1,0,0,0,0|1,0,1]=4 1177 B12R1.71 CCCSc1ccc(nn1)C=O 62a_100000210303_100000044651 [1,1,0,0,0,0|1,0,1]=4 1178 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [1,1,0,0,0,0|2,0,0]=4 1179 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [1,1,0,0,0,0|2,0,0]=4 1180 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [1,1,0,0,0,0|2,0,0]=4 1181 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [1,1,0,0,0,0|2,0,0]=4 1182 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [1,1,0,0,0,0|2,0,0]=4 1183 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [1,1,0,0,0,0|2,0,0]=4 1184 B12R1.25 CCCCc1nccc(c1C)C 271570a_100020621405_100009847204 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.25 CCCCc1nccc(c1C)F 271570a_100020621405_100009846374 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.25 CCCCc1nccc(c1C)N 271570a_100020621405_100009980296 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.25 CCCCc1nccc(c1F)C 271570a_100020621405_100009817629 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.25 CCCCc1nccc(c1F)N 271570a_100020621405_100015205195 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.25 CCCCc1nccc(c1F)O 271570a_100020621405_100009876375 [1,1,0,0,0,0|1,0,0]=3 1190 B12R1.25 CCCCc1nccc(c1N)C 271570a_100020621405_100000763560 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.25 CCCCc1nccc(c1N)N 271570a_100020621405_100000085203 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.25 CCCCc1nccc(c1N)O 271570a_100020621405_100000128729 [1,1,0,0,0,0|1,0,0]=3 1193 B12R1.25 CCCCc1nccc(c1O)C 271570a_100020621405_100000696282 [1,1,0,0,0,0|2,0,0]=4 1194 B12R1.25 CCCCc1nccc(c1O)F 271570a_100020621405_100009867227 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.25 CCCCc1ncnc(c1C)O 271570a_100020621405_100011912821 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.25 CCCCc1ncnc(c1N)O 271570a_100020621405_100011795086 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.25 CCCCc1nncc(c1C)N 271570a_100020621405_200011012966 [1,1,0,0,0,0|1,0,1]=4 1198 B12R1.25 CCCSc1nccc(c1F)O 62a_100000210303_100009876375 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.25 CCCSc1nccc(c1F)O 62a_100009876375_100000210303 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.28 CCCC=Cc1cc(ccn1)O 271570a_100016258520_100000762945 [1,1,0,0,0,0|1,0,1]=4 1201 B12R1.28 CCCC=Cc1cc(cnn1)O 271570a_100016258520_200010734679 [1,1,0,0,0,0|0,0,2]=4 1202 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.28 CCCCNc1cc(cnn1)C 27a_100000102301_100000070100 [1,1,0,0,0,0|1,0,1]=4 1204 B12R1.28 CCCCNc1cc(ncn1)O 271570a_203496583355_200011210052 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.28 CCCCNc1cc(ncn1)O 27a_100000102301_100000765262 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [1,1,0,0,0,0|2,0,0]=4 1207 B12R1.28 CCCCNc1nccc(n1)O 27a_100000102301_100011649813 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.28 CCCCOc1cc(cnn1)C 34a_100000766097_100000210210 [1,1,0,0,0,0|1,0,1]=4 1209 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [1,1,0,0,0,0|2,0,0]=4 1214 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [1,1,0,0,0,0|1,0,0]=3 1219 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000070100_100000210210 [1,1,0,0,0,0|1,0,1]=4 1220 B12R1.28 CCCCSc1cc(cnn1)C 62a_100000210211_100000070100 [1,1,0,0,0,0|1,0,1]=4 1221 B12R1.28 CCCCSc1cc(cnn1)N 62a_100000210211_100011996757 [1,1,0,0,0,0|1,0,1]=4 1222 B12R1.28 CCCCSc1cc(cnn1)N 62a_100011996757_100000210210 [1,1,0,0,0,0|1,0,1]=4 1223 B12R1.28 CCCCSc1cc(cnn1)O 62a_100000210211_200010734679 [1,1,0,0,0,0|0,0,1]=3 1224 B12R1.28 CCCCSc1cc(ncn1)O 62a_100000210211_100000765262 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [1,1,0,0,0,0|1,0,1]=4 1228 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [1,1,0,0,0,0|1,0,1]=4 1229 B12R1.28 CCCCSc1nccc(n1)O 62a_100000210211_100011649813 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [1,1,0,0,0,0|2,0,0]=4 1231 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [1,1,0,0,0,0|2,0,0]=4 1233 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [1,1,0,0,0,0|2,0,0]=4 1234 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [1,1,0,0,0,0|2,0,0]=4 1235 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [1,1,0,0,0,0|2,0,0]=4 1236 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [1,1,0,0,0,0|2,0,0]=4 1237 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [1,1,0,0,0,0|2,0,0]=4 1238 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [1,1,0,0,0,0|2,0,0]=4 1239 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [1,1,0,0,0,0|1,0,1]=4 1240 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [1,1,0,0,0,0|1,0,1]=4 1241 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [1,1,0,0,0,0|2,0,0]=4 1243 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [1,1,0,0,0,0|2,0,0]=4 1244 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [1,1,0,0,0,0|2,0,0]=4 1245 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [1,1,0,0,0,0|2,0,0]=4 1246 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.28 CCCOCc1cc(cnn1)C 34a_100016212594_100000210303 [1,1,0,0,0,0|1,0,1]=4 1248 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.28 CCOCSc1cc(ccn1)O 62a_100000739092_100000762945 [1,1,0,0,0,0|2,0,0]=4 1260 B12R1.28 CCOCSc1cc(cnn1)O 62a_100000739092_200010734679 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.28 COCCOc1cc(ccn1)O 271570a_203496583355_200010734593 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.28 COCCSc1cc(ccn1)O 62a_100000233755_100000762945 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.28 COCCSc1cc(cnn1)O 62a_100000233755_200010734679 [1,1,0,0,0,0|1,0,1]=4 1264 B12R1.28 CSCCSc1cc(ccn1)O 62a_100000212216_100000762945 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.28 CSCCSc1cc(cnn1)O 62a_100000212216_200010734679 [1,1,0,0,0,0|1,0,1]=4 1266 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.28 OCCCSc1cc(cnn1)O 62a_100011215043_200010734679 [1,1,0,0,0,0|1,0,1]=4 1268 B12R1.28 Oc1ccnc(c1)SCCCF 62a_100011934791_100000762945 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.28 Oc1cnnc(c1)SCCCF 62a_100011934791_200010734679 [1,1,0,0,0,0|1,0,1]=4 1270 B12R1.50 CCC(C)Sc1cc(ccn1)O 62a_100000758301_100000762945 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.50 CCC(C)Sc1cc(cnn1)O 62a_100000758301_200010734679 [1,1,0,0,0,0|1,0,1]=4 1272 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [1,1,0,0,0,0|2,0,0]=4 1273 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [1,1,0,0,0,0|2,0,0]=4 1275 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.100 CCCCc1cc(cc(n1)C)C 271570a_100020621405_100000069240 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.100 CCCCc1cc(cc(n1)F)C 271570a_100020621405_100009819601 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.100 CCCCc1cc(cc(n1)N)C 271570a_100020621405_100009819863 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.100 CCCCc1cc(nc(n1)C)O 271570a_100020621405_106741647437 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.100 CCCCc1cc(nc(n1)N)O 271570a_100020621405_100000694715 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.226 CC(C)CSc1cc(ccn1)O 62a_100000210624_100000762945 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.226 CC(C)CSc1cc(cnn1)O 62a_100000210624_200010734679 [1,1,0,0,0,0|1,0,1]=4 1284 B12R1.226 CC(O)CSc1cc(ccn1)O 62a_100011218427_100000762945 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.226 CC(O)CSc1cc(cnn1)O 62a_100011218427_200010734679 [1,1,0,0,0,0|1,0,1]=4 1286 B12R1.226 C[C@@H](O)CSc1cc(ccn1)O 62a_100009817552_100000762945 [1,1,0,0,0,0|2,0,0]=4 1287 B12R1.226 C[C@@H](O)CSc1cc(cnn1)O 62a_100009817552_200010734679 [1,1,0,0,0,0|1,0,1]=4 1288 B12R1.374 CCCCc1cc(c[nH]c1=O)F 271570a_100020621405_100009817720 [1,1,0,0,0,0|2,0,0]=4 1289 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [1,1,0,0,0,0|2,0,0]=4 1290 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.374 CCCCc1cc(cnc1C)O 271570a_100020621405_100009819603 [1,1,0,0,0,0|1,0,1]=4 1296 B12R1.374 CCCCc1cc(cnc1F)O 271570a_100020621405_100009817267 [1,1,0,0,0,0|1,0,1]=4 1297 B12R1.382 CCCCc1cc(ccn1)C#N 271570a_100020621405_100011291639 [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.382 CCCCc1cc(ccn1)C=O 271570a_100020621405_100011290808 [1,1,0,0,0,0|1,0,1]=4 1299 B12R1.382 CCCCc1cc(ccn1)CC 271570a_100020621405_100009817561 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.382 CCCCc1cc(ccn1)CO 271570a_100020621405_100009814636 [1,1,0,0,0,0|1,0,0]=3 1301 B12R1.382 CCCCc1cc(ccn1)NC 271570a_100020621405_100009869472 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [1,1,0,0,0,0|1,0,0]=3 1303 B12R1.382 CCCCc1cc(ccn1)SC 271570a_100020621405_100010883326 [1,1,0,0,0,0|1,1,0]=4 1304 B12R1.382 CCCCc1cc(cnn1)OC 271570a_100020621405_100000087634 [1,1,0,0,0,0|0,0,1]=3 1305 B12R1.382 CCCCc1cc(ncn1)CO 271570a_100020621405_100000731546 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.382 CCCCc1cc(ncn1)OC 271570a_100020621405_100012187182 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.382 CCCCc1cncc(c1)CO 271570a_100020621405_100011259137 [1,1,0,0,0,0|1,0,1]=4 1310 B12R1.382 CCCCc1cncc(c1)OC 271570a_100020621405_100000684773 [1,1,0,0,0,0|1,0,1]=4 1311 B12R1.382 CCCCc1nccc(n1)OC 271570a_100020621405_100000182009 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.382 CCCSc1cc(ccn1)CO 62a_100000210303_100009814636 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.382 CCCSc1cc(ccn1)CO 62a_100009814636_100000210303 [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.382 CCCSc1cc(ccn1)OC 62a_100000210303_100011216251 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.382 CCCSc1cc(ccn1)OC 62a_100009817693_100000210303 [1,1,0,0,0,0|2,0,0]=4 1316 B12R1.382 CCCSc1cc(cnn1)OC 62a_100000210303_100000087634 [1,1,0,0,0,0|1,0,1]=4 1317 B12R1.382 CCNCc1cc(ccn1)OC 207a_100015525214_100000087537 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.382 CCNCc1cc(ccn1)OC 2230a_100015525214_100000752681 [1,1,0,0,0,0|2,0,0]=4 1319 B12R1.382 CCNCc1cc(ccn1)OC 270004a_100015525214_100000087537 [1,1,0,0,0,0|2,0,0]=4 1320 B12R1.382 CCOCc1cc(ccn1)OC 34a_100000749536_100000210202 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.382 CCOCc1cc(ccn1)OC 34a_100121572206_100000752681 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000210202_100000752681 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000752681_100000210202 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.19 CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000210206_100009814561 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.19 CC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000210206_100000102183 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.19 Cc1cc(n[nH]c1=O)SC(C)C 62a_100000210206_100012187101 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.44 CCSc1cc(c(=O)n(n1)C)C 62a_100000210202_100010988966 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.44 CCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210202 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.286 CCSc1c[nH]c(=O)c(c1)OC 62a_100000210202_100010125397 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.336 CCCCc1n[nH]c(c1C#N)N 271570a_100020621405_100010590786 [0,1,0,0,1,0|2,0,0]=4 1331 B12R1.527 CCCCSc1n[nH]c(c1C)C 62a_100000210211_100015309786 [0,1,0,0,1,0|2,0,0]=4 1332 B12R1.527 CCCCSc1n[nH]c(c1C)C 62a_100015309786_100000210210 [0,1,0,0,1,0|2,0,0]=4 1333 B12R1.527 CCCSCc1n[nH]c(=O)n1C 62a_100000210303_100010408635 [0,1,0,0,1,0|2,0,0]=4 1334 B12R1.527 CCCSCc1n[nH]c(=O)n1C 62a_100010408635_100000210303 [0,1,0,0,1,0|2,0,0]=4 1335 B12R1.380 CCCCc1cc(c(s1)C=O)C 271570a_100020621405_100010221198 [0,1,0,0,1,0|2,0,0]=4 1336 B12R1.380 CCCCc1nc(c(o1)C)C=O 271570a_100020621405_200010262729 [0,1,0,0,1,0|2,0,0]=4 1337 B12R1.380 CCCCc1nc(c(s1)CO)C 271570a_100020621405_100010264302 [0,1,0,0,1,0|2,0,0]=4 1338 B14R1.61 CCCC=Cc1cc(c(=O)n(n1)C)C 271570a_100016258520_100010988966 [0,2,0,0,0,0|1,0,1]=4 1339 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)C 62a_100000210211_100011830242 [0,2,0,0,0,0|2,0,0]=4 1340 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)C 62a_100011830242_100000210210 [0,2,0,0,0,0|2,0,0]=4 1341 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)F 62a_100000210211_100010749421 [0,2,0,0,0,0|2,0,0]=4 1342 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)F 62a_100010749421_100000210210 [0,2,0,0,0,0|2,0,0]=4 1343 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)N 62a_100000210211_106446545582 [0,2,0,0,0,0|2,0,0]=4 1344 B14R1.61 CCCCSc1cc(c(=O)n(c1)C)N 62a_106446545582_100000210210 [0,2,0,0,0,0|2,0,0]=4 1345 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100000210211_100010988966 [0,2,0,0,0,0|1,0,0]=3 1346 B14R1.61 CCCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000210210 [0,2,0,0,0,0|1,0,0]=3 1347 B14R1.61 CCOCSc1cc(c(=O)n(n1)C)C 62a_100000739092_100010988966 [0,2,0,0,0,0|2,0,0]=4 1348 B14R1.61 CCOCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000739092 [0,2,0,0,0,0|2,0,0]=4 1349 B14R1.61 COCCSc1cc(c(=O)n(n1)C)C 62a_100000233755_100010988966 [0,2,0,0,0,0|2,0,0]=4 1350 B14R1.61 COCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000233755 [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.61 CSCCSc1cc(c(=O)n(n1)C)C 62a_100000212216_100010988966 [0,2,0,0,0,0|2,0,0]=4 1352 B14R1.61 CSCCSc1cc(c(=O)n(n1)C)C 62a_100010988966_100000751147 [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.61 Cc1cc(nn(c1=O)C)SCCCF 62a_100010988966_100011934791 [0,2,0,0,0,0|2,0,0]=4 1354 B14R1.61 Cc1cc(nn(c1=O)C)SCCCF 62a_100011934791_100010988966 [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.61 Cc1cc(nn(c1=O)C)SCCCO 62a_100010988966_100011215043 [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.61 Cc1cc(nn(c1=O)C)SCCCO 62a_100011215043_100010988966 [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.136 CCCCc1nn(c(=O)n(c1=O)C)C 271570a_100020621405_100000195409 [0,2,0,0,0,0|2,0,0]=4 1358 B14R1.708 CCC(C)Sc1cc(c(=O)n(n1)C)C 62a_100000758301_100010988966 [0,2,0,0,0,0|2,0,0]=4 1359 B14R1.708 CCC(C)Sc1cc(c(=O)n(n1)C)C 62a_100010988966_100000758301 [0,2,0,0,0,0|2,0,0]=4 1360 B14R1.7500 CCCCc1cc(c(c(c1)F)C=O)O 271570a_100020621405_100010762571 [0,2,0,0,0,0|2,0,0]=4 1361 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)C 62a_100000210624_100010988966 [0,2,0,0,0,0|2,0,0]=4 1362 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)C 62a_100010988966_100000210760 [0,2,0,0,0,0|2,0,0]=4 1363 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)O 62a_100010988966_100011218427 [0,2,0,0,0,0|2,0,0]=4 1364 B14R1.15552 Cc1cc(nn(c1=O)C)SCC(C)O 62a_100011218427_100010988966 [0,2,0,0,0,0|2,0,0]=4 1365 B14R1.15552 Cc1cc(nn(c1=O)C)SC[C@@H](C)O 62a_100009817552_100010988966 [0,2,0,0,0,0|2,0,0]=4 1366 B14R1.15552 Cc1cc(nn(c1=O)C)SC[C@@H](C)O 62a_100010988966_100009817552 [0,2,0,0,0,0|2,0,0]=4 1367 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)Br 271570a_100015190218_100010125443 [0,2,0,0,0,0|2,0,0]=4 1368 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)F 271570a_100015190218_100000723523 [0,2,0,0,0,0|2,0,0]=4 1369 B14R1.685 CC(C)C[C@H](N)c1c[nH]c(=O)c(c1)O 271570a_100015190218_100009814561 [0,2,0,0,0,0|1,0,0]=3 1370 B14R1.685 CC(C)C[C@H](N)c1cc(c(=O)[nH]n1)N 271570a_100015190218_100000102183 [0,2,0,0,0,0|1,0,0]=3 1371 B14R1.685 CC(C)C[C@H](N)c1cc(c(cn1)F)O 271570a_100015190218_100009854642 [0,2,0,0,0,0|2,0,0]=4 1372 B14R1.685 Cc1cc(n[nH]c1=O)[C@@H](N)CC(C)C 271570a_100015190218_100012187101 [0,2,0,0,0,0|1,0,0]=3 1373 B14R1.685 Cc1cnc(cc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000704368 [0,2,0,0,0,0|2,0,0]=4 1374 B14R1.42 COc1cc(c[nH]c1=O)SCC(C)C 62a_100000210624_100010125397 [0,2,0,0,0,0|2,0,0]=4 1375 B14R1.42 COc1cc(c[nH]c1=O)SCC(C)O 62a_100011218427_100010125397 [0,2,0,0,0,0|2,0,0]=4 1376 B14R1.42 COc1cc(c[nH]c1=O)SC[C@@H](C)O 62a_100009817552_100010125397 [0,2,0,0,0,0|2,0,0]=4 1377 B14R1.684 CC(C)(C)CSc1c[nH]c(=O)c(c1)O 62a_100011219605_100009814561 [0,2,0,0,0,0|2,0,0]=4 1378 B14R1.684 CC(C)(C)CSc1cc(c(=O)[nH]n1)N 62a_100011219605_100000102183 [0,2,0,0,0,0|2,0,0]=4 1379 B14R1.684 CC(C)(F)CSc1c[nH]c(=O)c(c1)O 62a_100011997219_100009814561 [0,2,0,0,0,0|2,0,0]=4 1380 B14R1.684 CC(C)(F)CSc1cc(c(=O)[nH]n1)N 62a_100011997219_100000102183 [0,2,0,0,0,0|2,0,0]=4 1381 B14R1.684 CC(C)(O)CSc1c[nH]c(=O)c(c1)O 62a_100000764493_100009814561 [0,2,0,0,0,0|2,0,0]=4 1382 B14R1.684 CC(C)(O)CSc1cc(c(=O)[nH]n1)N 62a_100000764493_100000102183 [0,2,0,0,0,0|2,0,0]=4 1383 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)C 62a_100011219605_100012187101 [0,2,0,0,0,0|2,0,0]=4 1384 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)F 62a_100011997219_100012187101 [0,2,0,0,0,0|2,0,0]=4 1385 B14R1.684 Cc1cc(n[nH]c1=O)SCC(C)(C)O 62a_100000764493_100012187101 [0,2,0,0,0,0|2,0,0]=4 1386 B14R1.833 CCC(=O)CSc1c[nH]c(=O)c(c1)O 62a_100000747405_100009814561 [0,2,0,0,0,0|1,0,1]=4 1387 B14R1.833 CCC(=O)CSc1cc(c(=O)[nH]n1)C 62a_100000747405_100012187101 [0,2,0,0,0,0|1,0,1]=4 1388 B14R1.833 CCC(=O)CSc1cc(c(=O)[nH]n1)N 62a_100000747405_100000102183 [0,2,0,0,0,0|1,0,1]=4 1389 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100000748023_100010125443 [0,2,0,0,0,0|2,0,0]=4 1390 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000748023 [0,2,0,0,0,0|2,0,0]=4 1391 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000748023 [0,2,0,0,0,0|2,0,0]=4 1392 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)F 62a_100000748023_100000723523 [0,2,0,0,0,0|2,0,0]=4 1393 B14R1.833 CCC(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748023_100009814561 [0,2,0,0,0,0|1,0,0]=3 1394 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)C 62a_100000748023_100012187101 [0,2,0,0,0,0|1,0,0]=3 1395 B14R1.833 CCC(C)CSc1cc(c(=O)[nH]n1)N 62a_100000748023_100000102183 [0,2,0,0,0,0|1,0,0]=3 1396 B14R1.833 CCC(C)CSc1cc(c(cn1)C)O 62a_100000704368_100000748023 [0,2,0,0,0,0|2,0,0]=4 1397 B14R1.833 CCC(C)CSc1cc(c(cn1)C)O 62a_100000748023_100000704368 [0,2,0,0,0,0|2,0,0]=4 1398 B14R1.833 CCC(C)CSc1cc(c(cn1)F)O 62a_100000748023_100009854642 [0,2,0,0,0,0|2,0,0]=4 1399 B14R1.833 CCC(C)CSc1cc(c(cn1)F)O 62a_100009854642_100000748023 [0,2,0,0,0,0|2,0,0]=4 1400 B14R1.833 CCC(C)NCc1c[nH]c(=O)c(c1)Cl 207a_100000209981_100000051075 [0,2,0,0,0,0|2,0,0]=4 1401 B14R1.833 CCC(C)NCc1c[nH]c(=O)c(c1)Cl 270004a_100000209981_100000051075 [0,2,0,0,0,0|2,0,0]=4 1402 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100011218378 [0,2,0,0,0,0|2,0,0]=4 1403 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)Br 62a_100011218378_100010125443 [0,2,0,0,0,0|2,0,0]=4 1404 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100011218378 [0,2,0,0,0,0|2,0,0]=4 1405 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)F 62a_100011218378_100000723523 [0,2,0,0,0,0|2,0,0]=4 1406 B14R1.833 CCC(O)CSc1c[nH]c(=O)c(c1)O 62a_100011218378_100009814561 [0,2,0,0,0,0|1,0,0]=3 1407 B14R1.833 CCC(O)CSc1cc(c(=O)[nH]n1)C 62a_100011218378_100012187101 [0,2,0,0,0,0|1,0,0]=3 1408 B14R1.833 CCC(O)CSc1cc(c(=O)[nH]n1)N 62a_100011218378_100000102183 [0,2,0,0,0,0|1,0,0]=3 1409 B14R1.833 CCC(O)CSc1cc(c(cn1)C)O 62a_100000704368_100011218378 [0,2,0,0,0,0|2,0,0]=4 1410 B14R1.833 CCC(O)CSc1cc(c(cn1)C)O 62a_100011218378_100000704368 [0,2,0,0,0,0|2,0,0]=4 1411 B14R1.833 CCC(O)CSc1cc(c(cn1)F)O 62a_100009854642_100011218378 [0,2,0,0,0,0|2,0,0]=4 1412 B14R1.833 CCC(O)CSc1cc(c(cn1)F)O 62a_100011218378_100009854642 [0,2,0,0,0,0|2,0,0]=4 1413 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)Br 62a_100009816398_100010125443 [0,2,0,0,0,0|2,0,0]=4 1414 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100009816398 [0,2,0,0,0,0|2,0,0]=4 1415 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)F 62a_100000723523_100009816398 [0,2,0,0,0,0|2,0,0]=4 1416 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)F 62a_100009816398_100000723523 [0,2,0,0,0,0|2,0,0]=4 1417 B14R1.833 CC[C@H](C)CSc1c[nH]c(=O)c(c1)O 62a_100009816398_100009814561 [0,2,0,0,0,0|1,0,0]=3 1418 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)C 62a_100009816398_100012187101 [0,2,0,0,0,0|1,0,0]=3 1419 B14R1.833 CC[C@H](C)CSc1cc(c(=O)[nH]n1)N 62a_100009816398_100000102183 [0,2,0,0,0,0|1,0,0]=3 1420 B14R1.833 CC[C@H](C)CSc1cc(c(cn1)C)O 62a_100000704368_100009816398 [0,2,0,0,0,0|2,0,0]=4 1421 B14R1.833 CC[C@H](C)CSc1cc(c(cn1)C)O 62a_100009816398_100000704368 [0,2,0,0,0,0|2,0,0]=4 1422 B14R1.833 CC[C@H](C)CSc1cc(c(cn1)F)O 62a_100009816398_100009854642 [0,2,0,0,0,0|2,0,0]=4 1423 B14R1.833 CC[C@H](C)CSc1cc(c(cn1)F)O 62a_100009854642_100009816398 [0,2,0,0,0,0|2,0,0]=4 1424 B14R1.833 C[C@@H](CO)CSc1c[nH]c(=O)c(c1)O 62a_100000059175_100009814561 [0,2,0,0,0,0|2,0,0]=4 1425 B14R1.833 C[C@@H](CO)CSc1cc(c(=O)[nH]n1)N 62a_100000059175_100000102183 [0,2,0,0,0,0|2,0,0]=4 1426 B14R1.833 Cc1cc(n[nH]c1=O)SCC(O)CO 62a_100011219619_100012187101 [0,2,0,0,0,0|2,0,0]=4 1427 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](C)CO 62a_100000059175_100012187101 [0,2,0,0,0,0|2,0,0]=4 1428 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](O)CF 62a_100015614560_100012187101 [0,2,0,0,0,0|2,0,0]=4 1429 B14R1.833 Cc1cc(n[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100012187101 [0,2,0,0,0,0|2,0,0]=4 1430 B14R1.833 Nc1cc(n[nH]c1=O)SCC(O)CO 62a_100011219619_100000102183 [0,2,0,0,0,0|2,0,0]=4 1431 B14R1.833 Nc1cc(n[nH]c1=O)SC[C@@H](O)CF 62a_100015614560_100000102183 [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.833 Nc1cc(n[nH]c1=O)SC[C@@H](O)CO 62a_100009815848_100000102183 [0,2,0,0,0,0|2,0,0]=4 1433 B14R1.833 O=c1[nH]cc(cc1O)SCC(O)CO 62a_100011219619_100009814561 [0,2,0,0,0,0|2,0,0]=4 1434 B14R1.833 O=c1[nH]cc(cc1O)SC[C@@H](O)CF 62a_100015614560_100009814561 [0,2,0,0,0,0|2,0,0]=4 1435 B14R1.833 O=c1[nH]cc(cc1O)SC[C@@H](O)CO 62a_100009815848_100009814561 [0,2,0,0,0,0|2,0,0]=4 1436 B14R1.791 CCCCc1cc(c(cn1)N)OCC 271570a_100020621405_100015764953 [0,2,0,0,0,0|2,0,0]=4 1437 B14R1.793 CCCCc1cc(c(cn1)C#N)OC 271570a_100020621405_100009830018 [0,2,0,0,0,0|2,0,0]=4 1438 B14R1.793 CCCCc1cc(c(cn1)CO)OC 271570a_100020621405_100010714672 [0,2,0,0,0,0|1,0,1]=4 1439 B14R1.793 CCCCc1cc(c(nn1)OC)OC 271570a_100020621405_200000095610 [0,2,0,0,0,0|0,0,2]=4 1440 B14R1.793 CCCCc1ccc(c(c1)OC)C=O 271570a_100020621405_100000697075 [0,2,0,0,0,0|2,0,0]=4 1441 B14R1.793 CCCCc1cnc(c(c1)OC)C=O 271570a_100020621405_100010246152 [0,2,0,0,0,0|1,0,1]=4 1442 B14R1.793 CCCSc1cc(c(cn1)C=O)OC 62a_100000210303_100009846838 [0,2,0,0,0,0|2,0,0]=4 1443 B14R1.793 CCCSc1cc(c(cn1)C=O)OC 62a_100009846838_100000210303 [0,2,0,0,0,0|2,0,0]=4 1444 B14R1.907 CCCC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016258520_100010125397 [0,2,0,0,0,0|1,0,1]=4 1445 B14R1.907 CCCCSc1c[nH]c(=O)c(c1)OC 62a_100000210211_100010125397 [0,2,0,0,0,0|1,0,0]=3 1446 B14R1.907 CCCCSc1cc(c(cn1)C)OC 62a_100000210211_100010067687 [0,2,0,0,0,0|2,0,0]=4 1447 B14R1.907 CCCCSc1cc(c(cn1)C)OC 62a_100010067687_100000210210 [0,2,0,0,0,0|2,0,0]=4 1448 B14R1.907 CCCCSc1cc(c(cn1)F)CO 62a_100000081974_100000210210 [0,2,0,0,0,0|2,0,0]=4 1449 B14R1.907 CCCCSc1cc(c(cn1)F)CO 62a_100000210211_100000081974 [0,2,0,0,0,0|2,0,0]=4 1450 B14R1.907 CCCCSc1cc(c(cn1)F)OC 62a_100000210211_200010136270 [0,2,0,0,0,0|2,0,0]=4 1451 B14R1.907 CCCCSc1cc(c(cn1)F)OC 62a_200010136270_100000210210 [0,2,0,0,0,0|2,0,0]=4 1452 B14R1.907 CCCCSc1cc(c(cn1)N)OC 62a_100000210211_100009887741 [0,2,0,0,0,0|2,0,0]=4 1453 B14R1.907 CCCCSc1cc(c(cn1)N)OC 62a_100009887741_100000210210 [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.907 CCCCSc1cc(c(nn1)N)OC 62a_100000210211_100000688033 [0,2,0,0,0,0|1,0,1]=4 1455 B14R1.907 CCCCSc1cc(c(nn1)N)OC 62a_100000688033_100000210210 [0,2,0,0,0,0|1,0,1]=4 1456 B14R1.907 CCCOCc1cc(c(cn1)Br)OC 34a_100010999569_100000210303 [0,2,0,0,0,0|2,0,0]=4 1457 B14R1.907 CCOCSc1c[nH]c(=O)c(c1)OC 62a_100000739092_100010125397 [0,2,0,0,0,0|2,0,0]=4 1458 B14R1.907 COCCSc1c[nH]c(=O)c(c1)OC 62a_100000233755_100010125397 [0,2,0,0,0,0|2,0,0]=4 1459 B14R1.907 COc1cc(c[nH]c1=O)SCCCF 62a_100011934791_100010125397 [0,2,0,0,0,0|2,0,0]=4 1460 B14R1.907 COc1cc(c[nH]c1=O)SCCCO 62a_100011215043_100010125397 [0,2,0,0,0,0|2,0,0]=4 1461 B14R1.907 COc1cc(c[nH]c1=O)SCCSC 62a_100000212216_100010125397 [0,2,0,0,0,0|2,0,0]=4 1462 B14R1.3405 CCC(C)Sc1c[nH]c(=O)c(c1)OC 62a_100000758301_100010125397 [0,2,0,0,0,0|2,0,0]=4 1463 B14R1.792 CCCCc1cc(c(cn1)C(=O)N)C 271570a_100020621405_200134614278 [0,2,0,0,0,0|2,0,0]=4 1464 B14R1.792 CCCCc1ccc(c(c1)O)C(=O)C 271570a_100020621405_100000188348 [0,2,0,0,0,0|2,0,0]=4 1465 B14R1.792 CCCCc1ccc(c(c1)O)C(=O)N 271570a_100020621405_100011550861 [0,2,0,0,0,0|2,0,0]=4 1466 B14R1.909 CCCCSc1cc(c(cn1)C=O)C 62a_100000085382_100000210210 [0,2,0,0,0,0|2,0,0]=4 1467 B14R1.909 CCCCSc1cc(c(cn1)C=O)C 62a_100000210211_100000085382 [0,2,0,0,0,0|2,0,0]=4 1468 B14R1.909 CCCCSc1cc(c(cn1)C=O)N 62a_100000050503_100000210210 [0,2,0,0,0,0|2,0,0]=4 1469 B14R1.909 CCCCSc1cc(c(cn1)C=O)N 62a_100000210211_100000050503 [0,2,0,0,0,0|2,0,0]=4 1470 B14R1.909 CCCCSc1cc(c(cn1)OC)O 62a_100000210211_100010264082 [0,2,0,0,0,0|1,0,1]=4 1471 B14R1.909 CCCCSc1ccc(c(c1)O)C=O 62a_100000210211_100011277552 [0,2,0,0,0,0|2,0,0]=4 1472 B14R1.909 CCCCSc1ccc(c(c1)O)C=O 62a_100011277552_100000210210 [0,2,0,0,0,0|2,0,0]=4 1473 B14R1.1361 CCCCc1ccc(c(c1F)O)C=O 271570a_100020621405_100010762540 [0,2,0,0,0,0|2,0,0]=4 1474 B14R1.4436 CCCCc1cc(c(cc1C)C=O)O 271570a_100020621405_200010762526 [0,2,0,0,0,0|2,0,0]=4 1475 B14R1.4436 CCCCc1cc(c(cc1F)C=O)O 271570a_100020621405_200010762562 [0,2,0,0,0,0|2,0,0]=4 1476 B14R1.4436 CCCCc1cc(c(cc1O)C=O)O 271570a_100020621405_100010888506 [0,2,0,0,0,0|2,0,0]=4 1477 B14R1.232 C#CCCCSc1c[nH]c(=O)c(c1)O 62a_100011215417_100009814561 [0,2,0,0,0,0|1,0,1]=4 1478 B14R1.232 C#CCCCSc1cc(c(=O)[nH]n1)C 62a_100011215417_100012187101 [0,2,0,0,0,0|1,0,1]=4 1479 B14R1.232 C#CCCCSc1cc(c(=O)[nH]n1)N 62a_100011215417_100000102183 [0,2,0,0,0,0|1,0,1]=4 1480 B14R1.232 C=CCCCSc1c[nH]c(=O)c(c1)O 62a_100011713584_100009814561 [0,2,0,0,0,0|1,0,1]=4 1481 B14R1.232 C=CCCCSc1cc(c(=O)[nH]n1)C 62a_100011713584_100012187101 [0,2,0,0,0,0|1,0,1]=4 1482 B14R1.232 C=CCCCSc1cc(c(=O)[nH]n1)N 62a_100011713584_100000102183 [0,2,0,0,0,0|1,0,1]=4 1483 B14R1.232 CC/C=C\CSc1c[nH]c(=O)c(c1)O 62a_100103147603_100009814561 [0,2,0,0,0,0|1,0,1]=4 1484 B14R1.232 CC/C=C\CSc1cc(c(=O)[nH]n1)C 62a_100103147603_100012187101 [0,2,0,0,0,0|1,0,1]=4 1485 B14R1.232 CC/C=C\CSc1cc(c(=O)[nH]n1)N 62a_100103147603_100000102183 [0,2,0,0,0,0|1,0,1]=4 1486 B14R1.232 CCC#CCSc1c[nH]c(=O)c(c1)O 62a_100009813939_100009814561 [0,2,0,0,0,0|1,0,1]=4 1487 B14R1.232 CCC#CCSc1cc(c(=O)[nH]n1)C 62a_100009813939_100012187101 [0,2,0,0,0,0|1,0,1]=4 1488 B14R1.232 CCC#CCSc1cc(c(=O)[nH]n1)N 62a_100009813939_100000102183 [0,2,0,0,0,0|1,0,1]=4 1489 B14R1.232 CCCCC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016275911_100010125443 [0,2,0,0,0,0|2,0,0]=4 1490 B14R1.232 CCCCC=Cc1c[nH]c(=O)c(c1)F 271570a_100016275911_100000723523 [0,2,0,0,0,0|2,0,0]=4 1491 B14R1.232 CCCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016275911_100009814561 [0,2,0,0,0,0|1,0,0]=3 1492 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)C 271570a_100016275911_100012187101 [0,2,0,0,0,0|1,0,0]=3 1493 B14R1.232 CCCCC=Cc1cc(c(=O)[nH]n1)N 271570a_100016275911_100000102183 [0,2,0,0,0,0|1,0,0]=3 1494 B14R1.232 CCCCC=Cc1cc(c(cn1)C)O 271570a_100016275911_100000704368 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.232 CCCCC=Cc1cc(c(cn1)F)O 271570a_100016275911_100009854642 [0,2,0,0,0,0|2,0,0]=4 1496 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100000210326_100010125443 [0,2,0,0,0,0|2,0,0]=4 1497 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210326 [0,2,0,0,0,0|2,0,0]=4 1498 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000210326_100000723523 [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210326 [0,2,0,0,0,0|2,0,0]=4 1500 B14R1.232 CCCCCSc1c[nH]c(=O)c(c1)O 62a_100000210326_100009814561 [0,2,0,0,0,0|1,0,0]=3 1501 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)C 62a_100000210326_100012187101 [0,2,0,0,0,0|1,0,0]=3 1502 B14R1.232 CCCCCSc1cc(c(=O)[nH]n1)N 62a_100000210326_100000102183 [0,2,0,0,0,0|1,0,0]=3 1503 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000210326_100000704368 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.232 CCCCCSc1cc(c(cn1)C)O 62a_100000704368_100000210326 [0,2,0,0,0,0|2,0,0]=4 1505 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100000210326_100009854642 [0,2,0,0,0,0|2,0,0]=4 1506 B14R1.232 CCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210326 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 207a_100000102301_100000051075 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.232 CCCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100000102301_100000051075 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)Br 62a_100000210147_100010125443 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100011215890 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)F 62a_100000210147_100000723523 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100011215890 [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.232 CCOCCSc1c[nH]c(=O)c(c1)O 62a_100000210147_100009814561 [0,2,0,0,0,0|1,0,0]=3 1514 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)C 62a_100000210147_100012187101 [0,2,0,0,0,0|1,0,0]=3 1515 B14R1.232 CCOCCSc1cc(c(=O)[nH]n1)N 62a_100000210147_100000102183 [0,2,0,0,0,0|1,0,0]=3 1516 B14R1.232 CCOCCSc1cc(c(cn1)C)O 62a_100000210147_100000704368 [0,2,0,0,0,0|2,0,0]=4 1517 B14R1.232 CCOCCSc1cc(c(cn1)C)O 62a_100000704368_100011215890 [0,2,0,0,0,0|2,0,0]=4 1518 B14R1.232 CCOCCSc1cc(c(cn1)F)O 62a_100000210147_100009854642 [0,2,0,0,0,0|2,0,0]=4 1519 B14R1.232 CCOCCSc1cc(c(cn1)F)O 62a_100009854642_100011215890 [0,2,0,0,0,0|2,0,0]=4 1520 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)Br 62a_100000757381_100010125443 [0,2,0,0,0,0|2,0,0]=4 1521 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000757381 [0,2,0,0,0,0|2,0,0]=4 1522 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000757381 [0,2,0,0,0,0|2,0,0]=4 1523 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)F 62a_100000757381_100000723523 [0,2,0,0,0,0|2,0,0]=4 1524 B14R1.232 CCSCCSc1c[nH]c(=O)c(c1)O 62a_100000757381_100009814561 [0,2,0,0,0,0|1,0,0]=3 1525 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)C 62a_100000757381_100012187101 [0,2,0,0,0,0|1,0,0]=3 1526 B14R1.232 CCSCCSc1cc(c(=O)[nH]n1)N 62a_100000757381_100000102183 [0,2,0,0,0,0|1,0,0]=3 1527 B14R1.232 CCSCCSc1cc(c(cn1)C)O 62a_100000704368_100000757381 [0,2,0,0,0,0|2,0,0]=4 1528 B14R1.232 CCSCCSc1cc(c(cn1)C)O 62a_100000757381_100000704368 [0,2,0,0,0,0|2,0,0]=4 1529 B14R1.232 CCSCCSc1cc(c(cn1)F)O 62a_100000757381_100009854642 [0,2,0,0,0,0|2,0,0]=4 1530 B14R1.232 CCSCCSc1cc(c(cn1)F)O 62a_100009854642_100000757381 [0,2,0,0,0,0|2,0,0]=4 1531 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)Br 62a_100000709357_100010125443 [0,2,0,0,0,0|2,0,0]=4 1532 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000709357 [0,2,0,0,0,0|2,0,0]=4 1533 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)F 62a_100000709357_100000723523 [0,2,0,0,0,0|2,0,0]=4 1534 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000709357 [0,2,0,0,0,0|2,0,0]=4 1535 B14R1.232 COCCCSc1c[nH]c(=O)c(c1)O 62a_100000709357_100009814561 [0,2,0,0,0,0|1,0,0]=3 1536 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)C 62a_100000709357_100012187101 [0,2,0,0,0,0|1,0,0]=3 1537 B14R1.232 COCCCSc1cc(c(=O)[nH]n1)N 62a_100000709357_100000102183 [0,2,0,0,0,0|1,0,0]=3 1538 B14R1.232 COCCCSc1cc(c(cn1)C)O 62a_100000704368_100000709357 [0,2,0,0,0,0|2,0,0]=4 1539 B14R1.232 COCCCSc1cc(c(cn1)C)O 62a_100000709357_100000704368 [0,2,0,0,0,0|2,0,0]=4 1540 B14R1.232 COCCCSc1cc(c(cn1)F)O 62a_100000709357_100009854642 [0,2,0,0,0,0|2,0,0]=4 1541 B14R1.232 COCCCSc1cc(c(cn1)F)O 62a_100009854642_100000709357 [0,2,0,0,0,0|2,0,0]=4 1542 B14R1.232 COCCNCc1c[nH]c(=O)c(c1)Cl 207a_100000209980_100000051075 [0,2,0,0,0,0|2,0,0]=4 1543 B14R1.232 COCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100000209980_100000051075 [0,2,0,0,0,0|2,0,0]=4 1544 B14R1.232 CSCCNCc1c[nH]c(=O)c(c1)Cl 207a_100020590264_100000051075 [0,2,0,0,0,0|2,0,0]=4 1545 B14R1.232 CSCCNCc1c[nH]c(=O)c(c1)Cl 270004a_100020590264_100000051075 [0,2,0,0,0,0|2,0,0]=4 1546 B14R1.232 Cc1cc(n[nH]c1=O)SCCCC#N 62a_100000687738_100012187101 [0,2,0,0,0,0|1,0,1]=4 1547 B14R1.232 Cc1cc(n[nH]c1=O)SCCCC=O 62a_200011292268_100012187101 [0,2,0,0,0,0|1,0,1]=4 1548 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100012187101 [0,2,0,0,0,0|1,0,0]=3 1549 B14R1.232 Cc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100012187101 [0,2,0,0,0,0|1,0,0]=3 1550 B14R1.232 Cc1cnc(cc1O)SCCCCF 62a_100000704368_100000729493 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.232 Cc1cnc(cc1O)SCCCCF 62a_100000729493_100000704368 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000210776_100000704368 [0,2,0,0,0,0|2,0,0]=4 1553 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000704368_100000210776 [0,2,0,0,0,0|2,0,0]=4 1554 B14R1.232 N#CCCCSc1c[nH]c(=O)c(c1)O 62a_100000687738_100009814561 [0,2,0,0,0,0|1,0,1]=4 1555 B14R1.232 N#CCCCSc1cc(c(=O)[nH]n1)N 62a_100000687738_100000102183 [0,2,0,0,0,0|1,0,1]=4 1556 B14R1.232 Nc1cc(n[nH]c1=O)SCCCC=O 62a_200011292268_100000102183 [0,2,0,0,0,0|1,0,1]=4 1557 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCF 62a_100000729493_100000102183 [0,2,0,0,0,0|1,0,0]=3 1558 B14R1.232 Nc1cc(n[nH]c1=O)SCCCCO 62a_100000210776_100000102183 [0,2,0,0,0,0|1,0,0]=3 1559 B14R1.232 O=CCCCSc1c[nH]c(=O)c(c1)O 62a_200011292268_100009814561 [0,2,0,0,0,0|1,0,1]=4 1560 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCF 62a_100000729493_100010125443 [0,2,0,0,0,0|2,0,0]=4 1561 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCF 62a_100010125443_100000729493 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100000210776_100010125443 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100010125443_100000210776 [0,2,0,0,0,0|2,0,0]=4 1564 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCF 207a_100015189416_100000051075 [0,2,0,0,0,0|2,0,0]=4 1565 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCF 270004a_100015189416_100000051075 [0,2,0,0,0,0|2,0,0]=4 1566 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 207a_100000182051_100000051075 [0,2,0,0,0,0|2,0,0]=4 1567 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 270004a_100000182051_100000051075 [0,2,0,0,0,0|2,0,0]=4 1568 B14R1.232 O=c1[nH]cc(cc1F)SCCCCF 62a_100000723523_100000729493 [0,2,0,0,0,0|2,0,0]=4 1569 B14R1.232 O=c1[nH]cc(cc1F)SCCCCF 62a_100000729493_100000723523 [0,2,0,0,0,0|2,0,0]=4 1570 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000210776_100000723523 [0,2,0,0,0,0|2,0,0]=4 1571 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000723523_100000210776 [0,2,0,0,0,0|2,0,0]=4 1572 B14R1.232 O=c1[nH]cc(cc1O)SCCCCF 62a_100000729493_100009814561 [0,2,0,0,0,0|1,0,0]=3 1573 B14R1.232 O=c1[nH]cc(cc1O)SCCCCO 62a_100000210776_100009814561 [0,2,0,0,0,0|1,0,0]=3 1574 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100000210776_100009854642 [0,2,0,0,0,0|2,0,0]=4 1575 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210776 [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.232 Oc1cc(ncc1F)SCCCCF 62a_100000729493_100009854642 [0,2,0,0,0,0|2,0,0]=4 1577 B14R1.232 Oc1cc(ncc1F)SCCCCF 62a_100009854642_100000729493 [0,2,0,0,0,0|2,0,0]=4 1578 B14R1.687 C=C(C)CCSc1c[nH]c(=O)c(c1)O 62a_100000730704_100009814561 [0,2,0,0,0,0|1,0,1]=4 1579 B14R1.687 C=C(C)CCSc1cc(c(=O)[nH]n1)C 62a_100000730704_100012187101 [0,2,0,0,0,0|1,0,1]=4 1580 B14R1.687 C=C(C)CCSc1cc(c(=O)[nH]n1)N 62a_100000730704_100000102183 [0,2,0,0,0,0|1,0,1]=4 1581 B14R1.687 CC(=O)CCSc1c[nH]c(=O)c(c1)O 62a_100000053229_100009814561 [0,2,0,0,0,0|1,0,1]=4 1582 B14R1.687 CC(=O)CCSc1cc(c(=O)[nH]n1)C 62a_100000053229_100012187101 [0,2,0,0,0,0|1,0,1]=4 1583 B14R1.687 CC(=O)CCSc1cc(c(=O)[nH]n1)N 62a_100000053229_100000102183 [0,2,0,0,0,0|1,0,1]=4 1584 B14R1.687 CC(C)CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259101_100009814561 [0,2,0,0,0,0|1,0,1]=4 1585 B14R1.687 CC(C)CC=Cc1cc(c(=O)[nH]n1)N 271570a_100016259101_100000102183 [0,2,0,0,0,0|1,0,1]=4 1586 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)Br 62a_100000210312_100010125443 [0,2,0,0,0,0|2,0,0]=4 1587 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210312 [0,2,0,0,0,0|2,0,0]=4 1588 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)F 62a_100000210312_100000723523 [0,2,0,0,0,0|2,0,0]=4 1589 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210312 [0,2,0,0,0,0|2,0,0]=4 1590 B14R1.687 CC(C)CCSc1c[nH]c(=O)c(c1)O 62a_100000210312_100009814561 [0,2,0,0,0,0|1,0,0]=3 1591 B14R1.687 CC(C)CCSc1cc(c(=O)[nH]n1)N 62a_100000210312_100000102183 [0,2,0,0,0,0|1,0,0]=3 1592 B14R1.687 CC(C)CCSc1cc(c(cn1)F)O 62a_100000210312_100009854642 [0,2,0,0,0,0|2,0,0]=4 1593 B14R1.687 CC(C)CCSc1cc(c(cn1)F)O 62a_100009854642_100000210312 [0,2,0,0,0,0|2,0,0]=4 1594 B14R1.687 CC(C)CNCc1c[nH]c(=O)c(c1)Cl 207a_100000210953_100000051075 [0,2,0,0,0,0|2,0,0]=4 1595 B14R1.687 CC(C)CNCc1c[nH]c(=O)c(c1)Cl 270004a_100000210953_100000051075 [0,2,0,0,0,0|2,0,0]=4 1596 B14R1.687 CC(C)OCSc1c[nH]c(=O)c(c1)O 62a_100000709892_100009814561 [0,2,0,0,0,0|2,0,0]=4 1597 B14R1.687 CC(C)OCSc1cc(c(=O)[nH]n1)N 62a_100000709892_100000102183 [0,2,0,0,0,0|2,0,0]=4 1598 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100012276601 [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)Br 62a_100012276601_100010125443 [0,2,0,0,0,0|2,0,0]=4 1600 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100012276601 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)F 62a_100012276601_100000723523 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.687 CC(O)CCSc1c[nH]c(=O)c(c1)O 62a_100012276601_100009814561 [0,2,0,0,0,0|1,0,0]=3 1603 B14R1.687 CC(O)CCSc1cc(c(=O)[nH]n1)N 62a_100012276601_100000102183 [0,2,0,0,0,0|1,0,0]=3 1604 B14R1.687 CC(O)CCSc1cc(c(cn1)F)O 62a_100009854642_100012276601 [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.687 CC(O)CCSc1cc(c(cn1)F)O 62a_100012276601_100009854642 [0,2,0,0,0,0|2,0,0]=4 1606 B14R1.687 CC(O)CNCc1c[nH]c(=O)c(c1)Cl 207a_100000210904_100000051075 [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.687 CC(O)CNCc1c[nH]c(=O)c(c1)Cl 270004a_100000210904_100000051075 [0,2,0,0,0,0|2,0,0]=4 1608 B14R1.687 Cc1cc(n[nH]c1=O)C=CCC(C)C 271570a_100016259101_100012187101 [0,2,0,0,0,0|1,0,1]=4 1609 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)C 62a_100000210312_100012187101 [0,2,0,0,0,0|1,0,0]=3 1610 B14R1.687 Cc1cc(n[nH]c1=O)SCCC(C)O 62a_100012276601_100012187101 [0,2,0,0,0,0|1,0,0]=3 1611 B14R1.687 Cc1cc(n[nH]c1=O)SCOC(C)C 62a_100000709892_100012187101 [0,2,0,0,0,0|2,0,0]=4 1612 B14R1.687 Cc1cnc(cc1O)SCCC(C)C 62a_100000210312_100000704368 [0,2,0,0,0,0|2,0,0]=4 1613 B14R1.687 Cc1cnc(cc1O)SCCC(C)C 62a_100000704368_100000210312 [0,2,0,0,0,0|2,0,0]=4 1614 B14R1.687 Cc1cnc(cc1O)SCCC(C)O 62a_100000704368_100012276601 [0,2,0,0,0,0|2,0,0]=4 1615 B14R1.687 Cc1cnc(cc1O)SCCC(C)O 62a_100012276601_100000704368 [0,2,0,0,0,0|2,0,0]=4 1616 B14R1.967 CC(CCO)Sc1c[nH]c(=O)c(c1)O 62a_100009893172_100009814561 [0,2,0,0,0,0|2,0,0]=4 1617 B14R1.967 CC(CCO)Sc1cc(c(=O)[nH]n1)N 62a_100009893172_100000102183 [0,2,0,0,0,0|2,0,0]=4 1618 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100000766640_100010125443 [0,2,0,0,0,0|2,0,0]=4 1619 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000766640 [0,2,0,0,0,0|2,0,0]=4 1620 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000723523_100000766640 [0,2,0,0,0,0|2,0,0]=4 1621 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)F 62a_100000766640_100000723523 [0,2,0,0,0,0|2,0,0]=4 1622 B14R1.967 CCCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000766640_100009814561 [0,2,0,0,0,0|1,0,0]=3 1623 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000766640_100012187101 [0,2,0,0,0,0|1,0,0]=3 1624 B14R1.967 CCCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000766640_100000102183 [0,2,0,0,0,0|1,0,0]=3 1625 B14R1.967 CCCC(C)Sc1cc(c(cn1)C)O 62a_100000704368_100000766640 [0,2,0,0,0,0|2,0,0]=4 1626 B14R1.967 CCCC(C)Sc1cc(c(cn1)C)O 62a_100000766640_100000704368 [0,2,0,0,0,0|2,0,0]=4 1627 B14R1.967 CCCC(C)Sc1cc(c(cn1)F)O 62a_100000766640_100009854642 [0,2,0,0,0,0|2,0,0]=4 1628 B14R1.967 CCCC(C)Sc1cc(c(cn1)F)O 62a_100009854642_100000766640 [0,2,0,0,0,0|2,0,0]=4 1629 B14R1.967 CCCN(C)Cc1c[nH]c(=O)c(c1)Cl 270004a_100000747261_100000051075 [0,2,0,0,0,0|2,0,0]=4 1630 B14R1.967 COCC(C)Sc1c[nH]c(=O)c(c1)O 62a_100000765312_100009814561 [0,2,0,0,0,0|2,0,0]=4 1631 B14R1.967 COCC(C)Sc1cc(c(=O)[nH]n1)C 62a_100000765312_100012187101 [0,2,0,0,0,0|2,0,0]=4 1632 B14R1.967 COCC(C)Sc1cc(c(=O)[nH]n1)N 62a_100000765312_100000102183 [0,2,0,0,0,0|2,0,0]=4 1633 B14R1.967 Cc1cc(n[nH]c1=O)SC(C)CCO 62a_100009893172_100012187101 [0,2,0,0,0,0|2,0,0]=4 1634 B14R1.3621 CCCCSc1cc(c(=O)[nH]c1C)N 62a_100000210211_100010126670 [0,2,0,0,0,0|2,0,0]=4 1635 B14R1.3621 CCCCSc1cc(c(=O)[nH]c1C)N 62a_100010126670_100000210210 [0,2,0,0,0,0|2,0,0]=4 1636 B14R1.3622 CCCCSc1c[nH]c(=O)c(c1C)N 62a_100000210211_100010163742 [0,2,0,0,0,0|2,0,0]=4 1637 B14R1.3622 CCCCSc1c[nH]c(=O)c(c1C)N 62a_100010163742_100000210210 [0,2,0,0,0,0|2,0,0]=4 1638 B14R1.4205 CCCCn1c(c(c(=O)[nH]c1=O)O)N 271570a_203496583355_100000183301 [0,2,0,0,0,0|2,0,0]=4 1639 B14R1.4398 CCC(CC)Sc1c[nH]c(=O)c(c1)O 62a_100000210505_100009814561 [0,2,0,0,0,0|2,0,0]=4 1640 B14R1.4398 CCC(CC)Sc1cc(c(=O)[nH]n1)C 62a_100000210505_100012187101 [0,2,0,0,0,0|2,0,0]=4 1641 B14R1.4398 CCC(CC)Sc1cc(c(=O)[nH]n1)N 62a_100000210505_100000102183 [0,2,0,0,0,0|2,0,0]=4 1642 B14R1.5612 CCC(C)(C)Sc1c[nH]c(=O)c(c1)O 62a_100000032637_100009814561 [0,2,0,0,0,0|2,0,0]=4 1643 B14R1.5612 CCC(C)(C)Sc1cc(c(=O)[nH]n1)C 62a_100000032637_100012187101 [0,2,0,0,0,0|2,0,0]=4 1644 B14R1.5612 CCC(C)(C)Sc1cc(c(=O)[nH]n1)N 62a_100000032637_100000102183 [0,2,0,0,0,0|2,0,0]=4 1645 B12R1.264 NC(=O)C(=O)NN=C1CCCC1 4a_100000211141_100000210133 [0,0,1,1,0,0|1,0,1]=4 1646 B12R1.1396 NC(=O)C(=O)NN=CC1CCC1 4a_100000211141_100000753134 [0,0,1,1,0,0|1,0,1]=4 1647 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [1,0,0,1,0,0|1,0,1]=4 1648 B12R2.294 O=c1ccc(c[nH]1)OC2CC2 34a_100000075641_100000211595 [1,0,0,1,0,0|2,0,0]=4 1649 B12R2.294 O=c1ccc(c[nH]1)SC2CC2 62a_100000212171_100000211595 [1,0,0,1,0,0|2,0,0]=4 1650 B12R2.294 O=c1ccc(n[nH]1)SC2CC2 62a_100009820020_100000211595 [1,0,0,1,0,0|1,0,0]=3 1651 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [1,0,0,1,0,0|2,0,0]=4 1652 B12R2.1081 Oc1ncnc2c1CCCC2 271570a_203496583355_100011467579 [1,0,0,1,0,0|2,0,0]=4 1653 B12R2.1286 Oc1ccnc(c1)OC2CC2 271570a_203496583355_100010191144 [1,0,0,1,0,0|2,0,0]=4 1654 B12R2.291 Cc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100012187101 [1,0,0,1,0,0|1,0,0]=3 1655 B12R2.291 Cc1cnc(cc1O)C2CC2 271570a_100011220607_100000704368 [1,0,0,1,0,0|2,0,0]=4 1656 B12R2.291 Nc1cc(n[nH]c1=O)C2CC2 271570a_100011220607_100000102183 [1,0,0,1,0,0|1,0,0]=3 1657 B12R2.291 O=c1[nH]cc(cc1Br)C2CC2 271570a_100011220607_100010125443 [1,0,0,1,0,0|2,0,0]=4 1658 B12R2.291 O=c1[nH]cc(cc1F)C2CC2 271570a_100011220607_100000723523 [1,0,0,1,0,0|2,0,0]=4 1659 B12R2.291 O=c1[nH]cc(cc1O)C2CC2 271570a_100011220607_100009814561 [1,0,0,1,0,0|1,0,0]=3 1660 B12R2.291 Oc1cc(ncc1F)C2CC2 271570a_100011220607_100009854642 [1,0,0,1,0,0|2,0,0]=4 1661 B14R2.23185 Cc1cc(nn(c1=O)C)SC2CC2 62a_100010988966_100000211595 [0,1,0,1,0,0|2,0,0]=4 1662 B14R2.70 Cc1cc(n[nH]c1=O)C2=CCCC2 271570a_100000089523_100012187101 [0,1,0,1,0,0|1,0,1]=4 1663 B14R2.70 Nc1cc(n[nH]c1=O)C2=CCCC2 271570a_100000089523_100000102183 [0,1,0,1,0,0|1,0,1]=4 1664 B14R2.70 O=c1[nH]cc(cc1O)C2=CCCC2 271570a_100000089523_100009814561 [0,1,0,1,0,0|1,0,1]=4 1665 B14R2.954 C=C(c1c[nH]c(=O)c(c1)O)C2CC2 271570a_100010895485_100009814561 [0,1,0,1,0,0|1,0,1]=4 1666 B14R2.954 C=C(c1cc(c(=O)[nH]n1)C)C2CC2 271570a_100010895485_100012187101 [0,1,0,1,0,0|1,0,1]=4 1667 B14R2.954 C=C(c1cc(c(=O)[nH]n1)N)C2CC2 271570a_100010895485_100000102183 [0,1,0,1,0,0|1,0,1]=4 1668 B14R2.10591 Cc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100012187101 [0,1,0,1,0,0|1,0,1]=4 1669 B14R2.10591 Cc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100012187101 [0,1,0,1,0,0|1,0,1]=4 1670 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100012187101 [0,1,0,1,0,0|1,0,0]=3 1671 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100012187101 [0,1,0,1,0,0|2,0,0]=4 1672 B14R2.10591 Cc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100012187101 [0,1,0,1,0,0|2,0,0]=4 1673 B14R2.10591 Cc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100012187101 [0,1,0,1,0,0|2,0,0]=4 1674 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000704368_100000742324 [0,1,0,1,0,0|2,0,0]=4 1675 B14R2.10591 Cc1cnc(cc1O)SCC2CC2 62a_100000756562_100000704368 [0,1,0,1,0,0|2,0,0]=4 1676 B14R2.10591 Nc1cc(n[nH]c1=O)C#CC2CC2 271570a_200009880635_100000102183 [0,1,0,1,0,0|1,0,1]=4 1677 B14R2.10591 Nc1cc(n[nH]c1=O)C=CC2CC2 271570a_100102526188_100000102183 [0,1,0,1,0,0|1,0,1]=4 1678 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CC2 62a_100000756562_100000102183 [0,1,0,1,0,0|1,0,0]=3 1679 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CO2 62a_102125554688_100000102183 [0,1,0,1,0,0|2,0,0]=4 1680 B14R2.10591 Nc1cc(n[nH]c1=O)SCC2CS2 62a_100000031435_100000102183 [0,1,0,1,0,0|2,0,0]=4 1681 B14R2.10591 Nc1cc(n[nH]c1=O)SC[C@@H]2CO2 62a_100000745022_100000102183 [0,1,0,1,0,0|2,0,0]=4 1682 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100000756562_100010125443 [0,1,0,1,0,0|2,0,0]=4 1683 B14R2.10591 O=c1[nH]cc(cc1Br)SCC2CC2 62a_100010125443_100000742324 [0,1,0,1,0,0|2,0,0]=4 1684 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000723523_100000742324 [0,1,0,1,0,0|2,0,0]=4 1685 B14R2.10591 O=c1[nH]cc(cc1F)SCC2CC2 62a_100000756562_100000723523 [0,1,0,1,0,0|2,0,0]=4 1686 B14R2.10591 O=c1[nH]cc(cc1O)C#CC2CC2 271570a_200009880635_100009814561 [0,1,0,1,0,0|1,0,1]=4 1687 B14R2.10591 O=c1[nH]cc(cc1O)C=CC2CC2 271570a_100102526188_100009814561 [0,1,0,1,0,0|1,0,1]=4 1688 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CC2 62a_100000756562_100009814561 [0,1,0,1,0,0|1,0,0]=3 1689 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CO2 62a_102125554688_100009814561 [0,1,0,1,0,0|2,0,0]=4 1690 B14R2.10591 O=c1[nH]cc(cc1O)SCC2CS2 62a_100000031435_100009814561 [0,1,0,1,0,0|2,0,0]=4 1691 B14R2.10591 O=c1[nH]cc(cc1O)SC[C@@H]2CO2 62a_100000745022_100009814561 [0,1,0,1,0,0|2,0,0]=4 1692 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100000756562_100009854642 [0,1,0,1,0,0|2,0,0]=4 1693 B14R2.10591 Oc1cc(ncc1F)SCC2CC2 62a_100009854642_100000742324 [0,1,0,1,0,0|2,0,0]=4 1694 B14R2.10607 Cc1cnc(cc1O)SC2CCC2 62a_100000704368_100000749161 [0,1,0,1,0,0|2,0,0]=4 1695 B14R2.10607 O=c1[nH]cc(cc1Br)SC2CCC2 62a_100010125443_100000749161 [0,1,0,1,0,0|2,0,0]=4 1696 B14R2.10607 O=c1[nH]cc(cc1F)SC2CCC2 62a_100000723523_100000749161 [0,1,0,1,0,0|2,0,0]=4 1697 B14R2.10607 Oc1cc(ncc1F)SC2CCC2 62a_100009854642_100000749161 [0,1,0,1,0,0|2,0,0]=4 1698 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [1,0,0,0,1,0|2,0,0]=4 1699 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [1,0,0,0,1,0|1,0,0]=3 1700 B10R1.16 CCCCc1cc([nH]n1)N 271570a_100020621405_100009822546 [1,0,0,0,1,0|1,0,0]=3 1701 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [1,0,0,0,1,0|2,0,0]=4 1702 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,0,0,0,1,0|2,0,0]=4 1703 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [1,0,0,0,1,0|2,0,0]=4 1704 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [1,0,0,0,1,0|2,0,0]=4 1705 B10R1.16 CCCCc1csc(n1)N 271570a_100020621405_100011998049 [1,0,0,0,1,0|2,0,0]=4 1706 B10R1.16 CCCCc1n[nH]c(n1)C 271570a_100020621405_100000732540 [1,0,0,0,1,0|2,0,0]=4 1707 B10R1.16 CCCCc1n[nH]c(n1)N 271570a_100020621405_100015184587 [1,0,0,0,1,0|2,0,0]=4 1708 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [1,0,0,0,1,0|2,0,0]=4 1709 B10R1.16 CCCCc1nc(cs1)Br 271570a_100020621405_200016082925 [1,0,0,0,1,0|2,0,0]=4 1710 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [1,0,0,0,1,0|2,0,0]=4 1711 B10R1.16 CCCCc1nc(cs1)N 271570a_100020621405_200015188442 [1,0,0,0,1,0|2,0,0]=4 1712 B10R1.16 CCCSc1cc([nH]n1)C 62a_100000210303_100009819999 [1,0,0,0,1,0|2,0,0]=4 1713 B10R1.16 CCCSc1cc([nH]n1)C 62a_100009819999_100000210303 [1,0,0,0,1,0|2,0,0]=4 1714 B10R1.16 CCCSc1cc([nH]n1)N 62a_100000210303_100009822546 [1,0,0,0,1,0|2,0,0]=4 1715 B10R1.16 CCCSc1cc([nH]n1)N 62a_100009822546_100000210303 [1,0,0,0,1,0|2,0,0]=4 1716 B10R1.16 CCNCc1n[nH]c(=O)[nH]1 2230a_100000766346_100000210202 [1,0,0,0,1,0|2,0,0]=4 1717 B10R1.16 CCNCc1n[nH]c(=O)[nH]1 2230a_100015525214_100000754189 [1,0,0,0,1,0|2,0,0]=4 1718 B10R1.16 CCSCc1n[nH]c(=O)[nH]1 62a_100000210202_100000754189 [1,0,0,0,1,0|2,0,0]=4 1719 B10R1.29 CCCCc1n[nH]cc1Br 271570a_100020621405_100015839836 [1,0,0,0,1,0|1,0,0]=3 1720 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [1,0,0,0,1,0|1,0,0]=3 1721 B10R1.29 CCCCc1n[nH]cc1N 271570a_100020621405_100010894806 [1,0,0,0,1,0|1,0,0]=3 1722 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [1,0,0,0,1,0|2,0,0]=4 1723 B10R1.29 CCCSc1n[nH]cc1Br 62a_100000210303_100015839836 [1,0,0,0,1,0|2,0,0]=4 1724 B10R1.29 CCCSc1n[nH]cc1Br 62a_100015839836_100000210303 [1,0,0,0,1,0|2,0,0]=4 1725 B10R1.29 CCCSc1n[nH]cc1C 62a_100000210303_100009871783 [1,0,0,0,1,0|2,0,0]=4 1726 B10R1.29 CCCSc1n[nH]cc1C 62a_100009871783_100000210303 [1,0,0,0,1,0|2,0,0]=4 1727 B10R1.29 CCCSc1n[nH]cc1N 62a_100000210303_100010894806 [1,0,0,0,1,0|2,0,0]=4 1728 B10R1.29 CCCSc1n[nH]cc1N 62a_100010894806_100000210303 [1,0,0,0,1,0|2,0,0]=4 1729 B10R1.29 CCNCc1n[nH]cc1Cl 207a_100015525214_100000040271 [1,0,0,0,1,0|2,0,0]=4 1730 B10R1.29 CCNCc1n[nH]cc1Cl 270004a_100015525214_100000040271 [1,0,0,0,1,0|2,0,0]=4 1731 B12R0.102 C=C(C=NNC(=O)CC)CCCC 4a_100000183195_100000211282 [0,0,1,0,0,1|1,0,1]=4 1732 B12R0.113 CCCCC=CC(=O)CC(=O)NC 1458a_100016266645_100000183359 [0,0,1,0,0,1|1,0,1]=4