0 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 C=Cc1cnn(n1)C 271570a_100011290941_100000733932 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 C=Cc1n[nH]c(n1)C 271570a_100011290941_100000732540 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 C=Cc1nc(ns1)C 271570a_100011290941_100000709739 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.1 C=Cc1ncn(n1)C 271570a_100011290941_100009819955 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.1 C=Cc1nnc(s1)C 271570a_100011290941_100000686958 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 C=Cc1nnc(s1)N 271570a_100011290941_100000738278 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,0,0,0,0,0|2,0,0]=2 64 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,0,0,0,0,0|2,1,1]=4 82 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,0,0,0,0,0|2,0,1]=3 83 B8R1.1 N#Cc1cnc(s1)O 271570a_203496583355_100009819632 [0,0,0,0,0,0|3,0,1]=4 84 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,0,0,0,0,0|2,1,1]=4 85 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,0,0,0,0,0|2,0,1]=3 86 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,0,0,0,0,0|3,0,1]=4 87 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,0,0,0,0,0|3,0,1]=4 88 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,0,0,0,0,0|3,0,0]=3 90 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,0,0,0,0,0|3,0,0]=3 91 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,0,0,0,0,0|1,1,0]=2 92 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,0,0,0,0,0|1,0,0]=1 93 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [0,0,0,0,0,0|2,0,0]=2 94 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [0,0,0,0,0,0|2,0,0]=2 98 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,0,0,0,0,0|1,1,2]=4 99 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,0,0,0,0,0|1,0,2]=3 100 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,0,0,0,0,0|2,0,2]=4 101 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,0,0,0,0,0|2,0,2]=4 102 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,0,0,0,0,0|3,0,0]=3 103 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,0,0,0,0,0|3,0,0]=3 104 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,0,0,0,0,0|4,0,0]=4 106 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,0,0,0,0,0|4,0,0]=4 108 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|1,1,0]=3 111 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|1,0,0]=2 112 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|2,1,0]=4 116 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|2,1,0]=4 120 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|2,0,0]=3 121 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|2,1,0]=4 124 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|2,1,0]=4 125 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|2,1,0]=4 132 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|2,1,0]=4 133 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|2,0,0]=3 134 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|3,0,0]=4 139 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,0,0,0,0,0|2,0,1]=4 140 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,0,0,0,0,0|2,0,1]=4 141 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,0,0,0|0,0,1]=2 142 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,0,0,0,0,0|1,0,1]=3 143 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,0,0,0|2,0,1]=4 144 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,0,0,0,0,0|2,0,1]=4 145 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,0,0,0,0,0|2,0,1]=4 146 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,0,0,0,0,0|2,0,1]=4 147 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,0,0,0,0,0|1,0,1]=3 148 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [1,0,0,0,0,0|2,0,1]=4 149 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,0,0,0|2,0,1]=4 150 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.7 C=C=Cc1c[nH]c(n1)C 271570a_100015277604_100009814057 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.7 C=C=Cc1cc(cs1)C 271570a_100015277604_100009876951 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.7 C=C=Cc1ccn(n1)C 271570a_100015277604_100000752436 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.7 C=C=Cc1cnc(s1)C 271570a_100015277604_100000764884 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.7 C=C=Cc1csc(c1)C 271570a_100015277604_100000759034 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.7 C=C=Cc1csc(n1)C 271570a_100015277604_100011934587 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.7 C=C=Cc1nc(c[nH]1)C 271570a_100015277604_100161115468 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.7 C=C=Cc1nc(cs1)C 271570a_100015277604_100011291629 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.7 C=C=Cc1nnc(s1)C 271570a_100015277604_100000686958 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.7 CC=Cc1ccn(n1)C 271570a_100016259895_100000752436 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.7 CC=Cc1nnc(s1)C 271570a_100016259895_100000686958 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,0,0,0|1,0,1]=3 179 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,0,0,0|1,0,1]=3 180 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,0,0,0|1,1,1]=4 185 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,0,0,0|1,1,1]=4 186 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,0,0,0|1,1,1]=4 187 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,1,0,0,0,0|1,0,1]=3 193 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,1,0,0,0,0|1,0,1]=3 194 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,1,0,0,0,0|1,0,1]=3 195 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,1,0,0,0,0|2,0,1]=4 204 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,1,0,0,0,0|2,0,1]=4 205 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,0,0,0|0,1,2]=4 210 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,0,0,0|0,1,2]=4 211 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,1,0,0,0,0|1,0,2]=4 212 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,1,0,0,0,0|0,0,2]=3 213 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,1,0,0,0,0|1,0,2]=4 214 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,1,0,0,0,0|1,0,2]=4 215 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,1,0,0,0,0|1,0,2]=4 216 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,1,0,0,0,0|1,1,1]=4 217 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,1,0,0,0,0|1,1,1]=4 218 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,1,0,0,0,0|1,1,1]=4 219 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,1,0,0,0,0|1,1,1]=4 220 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,1,0,0,0,0|1,1,1]=4 221 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,1,0,0,0,0|1,1,1]=4 222 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,0,0,0|1,1,1]=4 223 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,0,0,0|0,1,2]=4 224 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,0,0,0|0,1,2]=4 225 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,1,0,0,0,0|1,0,1]=3 226 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,1,0,0,0,0|0,0,2]=3 227 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,1,0,0,0,0|1,0,1]=3 228 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,1,0,0,0,0|1,0,1]=3 229 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,1,0,0,0,0|1,0,2]=4 233 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,1,0,0,0,0|1,1,1]=4 234 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,1,0,0,0,0|1,1,1]=4 235 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,1,0,0,0,0|2,0,1]=4 240 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,1,0,0,0,0|1,1,1]=4 242 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,1,0,0,0,0|1,1,1]=4 243 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,1,0,0,0,0|1,1,1]=4 244 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,1,0,0,0,0|1,1,1]=4 245 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [0,1,0,0,0,0|2,0,1]=4 246 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,1,0,0,0,0|1,1,1]=4 248 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,1,0,0,0,0|0,1,1]=3 249 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,1,0,0,0,0|1,1,0]=3 250 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,1,0,0,0,0|1,1,0]=3 251 B9R1.21 C=Cc1ccc(s1)C#N 271570a_100011290941_100000737243 [0,1,0,0,0,0|1,0,1]=3 252 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [0,1,0,0,0,0|0,0,1]=2 253 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.21 C=Cc1ccn(n1)CC 271570a_100011290941_100012350556 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.21 C=Cc1cnc(s1)C=O 271570a_100011290941_100000699580 [0,1,0,0,0,0|1,0,1]=3 258 B9R1.21 C=Cc1cnc(s1)CN 271570a_100011290941_100016991807 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.21 C=Cc1cnc(s1)CO 271570a_100011290941_100000696694 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.21 C=Cc1cnc(s1)OC 271570a_100011290941_100000729428 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.21 C=Cc1csc(n1)C=O 271570a_100011290941_100009816814 [0,1,0,0,0,0|2,0,1]=4 267 B9R1.21 C=Cc1csc(n1)CO 271570a_100011290941_100012000107 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.21 C=Cc1csc(n1)OC 271570a_100011290941_100000727839 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.21 C=Cc1csc(n1)SC 271570a_100011290941_100000732701 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.21 C=Cc1nc(cs1)C=O 271570a_100011290941_100009816748 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.21 C=Cc1nc(cs1)CO 271570a_100011290941_100009816749 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.21 C=Cc1ncc(s1)C#N 271570a_100011290941_100009819632 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [0,1,0,0,0,0|1,0,1]=3 274 B9R1.21 C=Cc1ncc(s1)CN 271570a_100011290941_100000726991 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.21 C=Cc1ncc(s1)CO 271570a_100011290941_100009816753 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.21 C=Cc1nnc(s1)NC 271570a_100011290941_200012111945 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,1,0,0,0,0|1,0,1]=3 278 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,1,0,0,0,0|1,0,1]=3 279 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,1,0,0,0,0|1,0,1]=3 280 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,1,0,0,0,0|1,0,1]=3 281 B9R1.21 CNc1ncc(s1)C#N 27a_100102657272_100009819632 [0,1,0,0,0,0|2,0,1]=4 282 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.21 COc1ncc(s1)SC 62a_100000729428_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.21 COc1ncc(s1)SC 62a_200000210301_100000729428 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.21 COc1ncc(s1)S[13CH3] 62a_100000729428_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.21 COc1ncc(s1)S[13CH3] 62a_200025704644_100000729428 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,1,0,0,0,0|1,0,0]=2 296 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,1,0,0,0,0|1,1,1]=4 297 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,1,0,0,0,0|0,1,0]=2 298 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,1,0,0,0,0|1,1,1]=4 299 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,1,0,0,0,0|0,1,2]=4 300 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,1,0,0,0,0|0,1,2]=4 301 B9R1.21 CSc1ccc(s1)C#N 62a_200000210301_100000737243 [0,1,0,0,0,0|1,0,1]=3 302 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,1,0,0,0,0|0,0,0]=1 303 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,1,0,0,0,0|0,0,0]=1 304 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,1,0,0,0,0|1,0,1]=3 305 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,1,0,0,0,0|1,0,1]=3 306 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,1,0,0,0,0|0,0,2]=3 307 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,1,0,0,0,0|0,0,2]=3 308 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [0,1,0,0,0,0|1,0,0]=2 309 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [0,1,0,0,0,0|1,0,0]=2 310 B9R1.21 CSc1cnc(s1)CN 62a_100016991807_200000210301 [0,1,0,0,0,0|2,0,1]=4 311 B9R1.21 CSc1cnc(s1)CN 62a_200000210301_100016991807 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.21 CSc1cnc(s1)CO 62a_100000696694_200000210301 [0,1,0,0,0,0|1,0,2]=4 313 B9R1.21 CSc1cnc(s1)CO 62a_200000210301_100000696694 [0,1,0,0,0,0|1,0,2]=4 314 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.21 CSc1csc(n1)C=O 62a_100009816814_200000210301 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.21 CSc1csc(n1)C=O 62a_200000210301_100009816814 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.21 CSc1ncc(s1)C#N 62a_200000210301_100009819632 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [0,1,0,0,0,0|1,0,0]=2 324 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [0,1,0,0,0,0|1,0,0]=2 325 B9R1.21 CSc1ncc(s1)CN 62a_100000726991_200000210301 [0,1,0,0,0,0|2,0,1]=4 326 B9R1.21 CSc1ncc(s1)CN 62a_200000210301_100000726991 [0,1,0,0,0,0|2,0,1]=4 327 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,1,0,0,0,0|1,0,2]=4 328 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,1,0,0,0,0|1,0,2]=4 329 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,1,0,0,0,0|1,1,1]=4 339 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,1,0,0,0,0|0,1,0]=2 340 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,1,0,0,0,0|1,1,1]=4 341 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,1,0,0,0,0|0,1,2]=4 342 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,1,0,0,0,0|0,1,2]=4 343 B9R1.21 [13CH3]Sc1ccc(s1)C#N 62a_200025704644_100000737243 [0,1,0,0,0,0|1,0,1]=3 344 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,1,0,0,0,0|0,0,0]=1 345 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,1,0,0,0,0|0,0,0]=1 346 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,1,0,0,0,0|1,0,1]=3 347 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,1,0,0,0,0|1,0,1]=3 348 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,1,0,0,0,0|0,0,2]=3 349 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,1,0,0,0,0|0,0,2]=3 350 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [0,1,0,0,0,0|1,0,0]=2 351 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_100016991807_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_200025704644_100016991807 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_100000696694_200025704644 [0,1,0,0,0,0|1,0,2]=4 355 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_200025704644_100000696694 [0,1,0,0,0,0|1,0,2]=4 356 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_100009816814_200025704644 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_200025704644_100009816814 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.21 [13CH3]Sc1ncc(s1)C#N 62a_200025704644_100009819632 [0,1,0,0,0,0|2,0,1]=4 365 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [0,1,0,0,0,0|1,0,0]=2 366 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [0,1,0,0,0,0|1,0,0]=2 367 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_100000726991_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_200025704644_100000726991 [0,1,0,0,0,0|2,0,1]=4 369 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,1,0,0,0,0|1,0,2]=4 370 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,1,0,0,0,0|1,0,2]=4 371 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.22 C=Cc1nc(cn1C)C 271570a_100011290941_100009816808 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.22 C=Cc1nn(cc1C)C 271570a_100011290941_100012644376 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,1,0,0,0,0|0,0,0]=1 382 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,1,0,0,0,0|1,0,0]=2 385 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,1,0,0,0,0|1,0,0]=2 390 B9R1.23 C=Cc1cc(n(n1)C)C 271570a_100011290941_100012001299 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.23 C=Cc1cc(n(n1)C)N 271570a_100011290941_100000734454 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.23 C=Cc1cn(c(n1)C)C 271570a_100011290941_100000684932 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [0,1,0,0,0,0|1,0,0]=2 402 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,1,0,0,0,0|0,0,0]=1 405 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,1,0,0,0,0|0,0,2]=3 406 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,0,0|1,0,0]=2 410 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|1,1,0]=3 421 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|1,0,0]=2 422 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,0,0,0|2,0,1]=4 427 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,1,0,0,0,0|2,0,1]=4 437 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,1,0,0,0,0|2,0,1]=4 438 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,0,1,0,0,0|3,0,0]=4 443 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,0,1,0,0,0|1,1,1]=4 444 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,0,1,0,0,0|1,1,1]=4 445 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,0,1,0,0,0|0,1,2]=4 446 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,0,1,0,0,0|0,0,2]=3 447 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,0,1,0,0,0|1,0,2]=4 448 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|1,1,0]=3 449 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|1,1,0]=3 450 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,0,1,0,0,0|1,0,2]=4 451 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,0,1,0,0,0|1,0,2]=4 452 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [0,0,0,0,0,1|3,0,0]=4 453 B9R1.1 C=Cc1ccc(=O)[nH]n1 271570a_100011290941_100009820020 [0,0,0,0,0,1|3,0,0]=4 454 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [0,0,0,0,0,1|3,0,0]=4 455 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [0,0,0,0,0,1|2,0,0]=3 456 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [0,0,0,0,0,1|3,0,0]=4 457 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [0,0,0,0,0,1|3,0,0]=4 458 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [0,0,0,0,0,1|3,0,0]=4 459 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [0,0,0,0,0,1|3,0,0]=4 460 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [0,0,0,0,0,1|3,0,0]=4 461 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,0,0,0,0,1|2,0,0]=3 462 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [0,0,0,0,0,1|3,0,0]=4 463 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [0,0,0,0,0,1|3,0,0]=4 464 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [0,0,0,0,0,1|3,0,0]=4 465 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [0,0,0,0,0,1|3,0,0]=4 466 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [0,0,0,0,0,1|3,0,0]=4 467 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [0,0,0,0,0,1|2,0,0]=3 468 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [0,0,0,0,0,1|3,0,0]=4 469 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [0,0,0,0,0,1|3,0,0]=4 470 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [0,0,0,0,0,1|3,0,0]=4 471 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [0,0,0,0,0,1|2,0,0]=3 472 B9R1.1 C=Cc1ccc(nn1)N 271570a_100011290941_100009816609 [0,0,0,0,0,1|3,0,0]=4 473 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [0,0,0,0,0,1|3,0,0]=4 474 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [0,0,0,0,0,1|3,0,0]=4 475 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [0,0,0,0,0,1|3,0,0]=4 476 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,0,0,0,0,1|3,0,0]=4 477 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,0,0,0,0,1|3,0,0]=4 478 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,0,0,0,0,1|3,0,0]=4 479 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,0,0,0,0,1|3,0,0]=4 480 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,0,0,0,0,1|3,0,0]=4 481 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,0,0,0,0,1|3,0,0]=4 482 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,0,0,0,0,1|3,0,0]=4 483 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,0,0,0,0,1|3,0,0]=4 484 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,0,0,0,0,1|3,0,0]=4 485 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,0,0,0,0,1|3,0,0]=4 486 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,0,0,0,0,1|3,0,0]=4 487 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [0,0,0,0,0,1|3,0,0]=4 488 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [0,0,0,0,0,1|3,0,0]=4 489 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [0,0,0,0,0,1|3,0,0]=4 490 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [0,0,0,0,0,1|3,0,0]=4 491 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,0,0,0,0,1|3,0,0]=4 492 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,0,0,0,0,1|3,0,0]=4 493 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,0,0,0,0,1|3,0,0]=4 494 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,0,0,0,0,1|3,0,0]=4 495 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,0,0,0,0,1|3,0,0]=4 496 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,0,0,0,0,1|3,0,0]=4 497 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,0,0,0,0,1|3,0,0]=4 498 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [0,0,0,0,0,1|3,0,0]=4 499 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [0,0,0,0,0,1|3,0,0]=4 500 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,0,0,0,0,1|3,0,0]=4 501 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,0,0,0,0,1|3,0,0]=4 502 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,0,0,0,0,1|3,0,0]=4 503 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [0,0,0,0,0,1|3,0,0]=4 504 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [0,0,0,0,0,1|3,0,0]=4 505 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [0,0,0,0,0,1|2,0,0]=3 506 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [0,0,0,0,0,1|2,0,0]=3 507 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [0,0,0,0,0,1|2,0,0]=3 508 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [0,0,0,0,0,1|2,0,0]=3 509 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [0,0,0,0,0,1|3,0,0]=4 510 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [0,0,0,0,0,1|3,0,0]=4 511 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,0,0,0,0,1|2,0,0]=3 512 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [0,0,0,0,0,1|3,0,0]=4 513 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [0,0,0,0,0,1|3,0,0]=4 514 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [0,0,0,0,0,1|3,0,0]=4 515 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [0,0,0,0,0,1|3,0,0]=4 516 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [0,0,0,0,0,1|3,0,0]=4 517 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [0,0,0,0,0,1|3,0,0]=4 518 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [0,0,0,0,0,1|3,0,0]=4 519 B9R1.2 C=Cc1cc[nH]c(=O)n1 271570a_100011290941_200000134032 [0,0,0,0,0,1|3,0,0]=4 520 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [0,0,0,0,0,1|3,0,0]=4 521 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [0,0,0,0,0,1|3,0,0]=4 522 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [0,0,0,0,0,1|3,0,0]=4 523 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,0,0,0,0,1|2,0,0]=3 524 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [0,0,0,0,0,1|3,0,0]=4 525 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [0,0,0,0,0,1|3,0,0]=4 526 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [0,0,0,0,0,1|3,0,0]=4 527 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [0,0,0,0,0,1|3,0,0]=4 528 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [0,0,0,0,0,1|3,0,0]=4 529 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [0,0,0,0,0,1|3,0,0]=4 530 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,0,0,0,0,1|2,0,0]=3 531 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [0,0,0,0,0,1|3,0,0]=4 532 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [0,0,0,0,0,1|3,0,0]=4 533 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [0,0,0,0,0,1|3,0,0]=4 534 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,0,0,0,0,1|2,0,0]=3 535 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [0,0,0,0,0,1|3,0,0]=4 536 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [0,0,0,0,0,1|3,0,0]=4 537 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [0,0,0,0,0,1|3,0,0]=4 538 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,0,0,0,0,1|2,0,0]=3 539 B9R1.2 C=Cc1ccnc(n1)N 271570a_100011290941_100009820717 [0,0,0,0,0,1|3,0,0]=4 540 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [0,0,0,0,0,1|3,0,0]=4 541 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,0,0,0,0,1|2,0,0]=3 542 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [0,0,0,0,0,1|3,0,0]=4 543 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [0,0,0,0,0,1|3,0,0]=4 544 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [0,0,0,0,0,1|3,0,0]=4 545 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [0,0,0,0,0,1|3,0,0]=4 546 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,0,0,0,0,1|2,0,0]=3 547 B9R1.2 C=Cc1cncc(n1)F 271570a_100011290941_200009863489 [0,0,0,0,0,1|3,0,0]=4 548 B9R1.2 C=Cc1cncc(n1)N 271570a_100011290941_100009819714 [0,0,0,0,0,1|3,0,0]=4 549 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [0,0,0,0,0,1|3,0,0]=4 550 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,0,0,0,0,1|2,0,0]=3 551 B9R1.2 C=Cc1nccc(n1)N 271570a_100011290941_100000757536 [0,0,0,0,0,1|3,0,0]=4 552 B9R1.2 C=Cc1nccc(n1)O 271570a_100011290941_100011649813 [0,0,0,0,0,1|3,0,0]=4 553 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 554 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 555 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,0,0,0,0,1|3,0,0]=4 556 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,0,0,0,0,1|3,0,0]=4 557 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,0,0,0,0,1|3,0,0]=4 558 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,0,0,0,0,1|3,0,0]=4 559 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 560 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 561 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,0,0,0,0,1|3,0,0]=4 562 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,0,0,0,0,1|3,0,0]=4 563 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,0,0,0,0,1|3,0,0]=4 564 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,0,0,0,0,1|3,0,0]=4 565 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,0,0,0,0,1|3,0,0]=4 566 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,0,0,0,0,1|3,0,0]=4 567 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,0,0,0,0,1|3,0,0]=4 568 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,0,0,0,0,1|3,0,0]=4 569 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,0,0,0,0,1|3,0,0]=4 570 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,0,0,0,0,1|3,0,0]=4 571 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,0,0,0,0,1|3,0,0]=4 572 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,0,0,0,0,1|3,0,0]=4 573 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,0,0,0,0,1|3,0,0]=4 574 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,0,0,0,0,1|3,0,0]=4 575 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,0,0,0,0,1|3,0,0]=4 576 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,0,0,0,0,1|3,0,0]=4 577 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,0,0,0,0,1|3,0,0]=4 578 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,0,0,0,0,1|3,0,0]=4 579 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,0,0,0,0,1|3,0,0]=4 580 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,0,0,0,0,1|3,0,0]=4 581 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,0,0,0,0,1|3,0,0]=4 582 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,0,0,0,0,1|3,0,0]=4 583 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 584 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 585 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 586 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 587 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,0,0,0,0,1|3,0,0]=4 588 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,0,0,0,0,1|3,0,0]=4 589 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,0,0,0,0,1|3,0,0]=4 590 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,0,0,0,0,1|3,0,0]=4 591 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,0,0,0,0,1|3,0,0]=4 592 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,0,0,0,0,1|3,0,0]=4 593 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,0,0,0,0,1|3,0,0]=4 594 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,0,0,0,0,1|3,0,0]=4 595 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,0,0,0,0,1|3,0,0]=4 596 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,0,0,0,0,1|3,0,0]=4 597 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,0,0,0,0,1|3,0,0]=4 598 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,0,0,0,0,1|3,0,0]=4 599 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,0,0,0,0,1|3,0,0]=4 600 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,0,0,0,0,1|3,0,0]=4 601 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,0,0,0,0,1|3,0,0]=4 602 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,0,0,0,0,1|3,0,0]=4 603 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,0,0,0,0,1|2,0,0]=3 604 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,0,0,0,0,1|2,0,0]=3 605 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,0,0,0,0,1|2,0,0]=3 606 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [0,0,0,0,0,1|2,0,0]=3 607 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,0,0,0,0,1|2,0,0]=3 608 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|1,0,1]=4 609 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,1,0,0,0|1,0,1]=4 610 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,1,0,0,0|2,0,0]=4 611 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,0,1,0,0,0|1,0,1]=4 612 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,1,0,0,0|1,0,1]=4 613 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|1,0,1]=4 614 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|0,1,0]=3 615 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|0,1,0]=3 616 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|1,0,1]=4 617 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|1,0,1]=4 618 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|1,0,1]=4 619 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,1]=4 620 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,1]=4 621 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|2,0,0]=4 622 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|2,0,0]=4 623 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,1,0,0,0|0,0,2]=4 624 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,1,0,0,0|0,0,2]=4 625 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,0,1,0,0,0|1,0,1]=4 626 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,0,1,0,0,0|1,0,1]=4 627 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,0,1,0,0,0|1,0,1]=4 628 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,0,1,0,0,0|1,0,1]=4 629 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|0,1,1]=4 630 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|0,0,1]=3 631 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|1,0,1]=4 632 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|1,0,1]=4 633 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [0,1,1,0,0,0|1,0,1]=4 634 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [0,1,1,0,0,0|1,0,1]=4 635 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,1,1,0,0,0|0,0,2]=4 637 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,1,1,0,0,0|0,0,2]=4 638 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,1,0,0,0|1,0,1]=4 639 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,1,0,0,0|1,0,1]=4 640 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,1,0,0,0,0|1,1,0]=4 641 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,1,0,0,0,0|1,0,0]=3 642 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,1,0,0,0,0|2,0,0]=4 643 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,1,0,0,0,0|2,0,0]=4 644 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,1,0,0,0,0|1,1,0]=4 645 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,1,0,0,0,0|1,0,0]=3 646 B8R1.8 C=C=Cc1cncs1 271570a_100015277604_100011934649 [1,1,0,0,0,0|2,0,0]=4 647 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [1,1,0,0,0,0|2,0,0]=4 648 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|1,1,0]=4 649 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,1,0,0,0,0|1,0,0]=3 650 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,1,0,0,0,0|2,0,0]=4 651 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,1,0,0,0,0|2,0,0]=4 652 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,1,0,0,0,0|1,0,1]=4 653 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,1,0,0,0,0|1,0,1]=4 654 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,1,0,0,0,0|1,0,1]=4 655 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,1,0,0,0,0|1,0,1]=4 656 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,1,0,0,0,0|1,0,1]=4 657 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,1,0,0,0,0|0,0,2]=4 658 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,1,0,0,0,0|1,0,1]=4 659 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,1,0,0,0,0|1,0,1]=4 660 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,1,0,0,0,0|1,0,1]=4 661 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,1,0,0,0,0|0,0,2]=4 662 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [1,1,0,0,0,0|1,0,0]=3 663 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,1,0,0,0,0|1,0,0]=3 664 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|2,0,0]=4 670 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [1,1,0,0,0,0|1,0,1]=4 673 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|0,1,0]=3 676 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|0,0,0]=2 677 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|0,0,2]=4 678 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|2,0,0]=4 680 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [1,1,0,0,0,0|0,0,1]=3 681 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [1,1,0,0,0,0|0,0,1]=3 682 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [1,1,0,0,0,0|0,0,1]=3 683 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [1,1,0,0,0,0|1,0,1]=4 684 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [1,1,0,0,0,0|1,0,1]=4 685 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [1,1,0,0,0,0|1,0,1]=4 686 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [1,1,0,0,0,0|2,0,0]=4 687 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.1 C=C=Cc1ccc(nn1)C 271570a_100015277604_100011450037 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.1 CC=Cc1ccc(nn1)C 271570a_100016259895_100011450037 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [0,1,0,0,0,1|1,0,1]=4 698 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [0,1,0,0,0,1|1,0,1]=4 723 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.3 C=Cc1ccc(nn1)C=O 271570a_100011290941_100000044651 [0,1,0,0,0,1|1,0,1]=4 734 B10R1.3 C=Cc1ccc(nn1)NC 271570a_100011290941_100000215272 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [0,1,0,0,0,1|1,0,0]=3 739 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [0,1,0,0,0,1|1,0,0]=3 740 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [0,1,0,0,0,1|1,0,0]=3 741 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [0,1,0,0,0,1|1,0,0]=3 742 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [0,1,0,0,0,1|1,0,0]=3 743 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [0,1,0,0,0,1|1,0,0]=3 744 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [0,1,0,0,0,1|1,0,0]=3 745 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [0,1,0,0,0,1|1,0,0]=3 746 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [0,1,0,0,0,1|1,0,0]=3 751 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [0,1,0,0,0,1|1,0,0]=3 752 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [0,1,0,0,0,1|1,0,0]=3 753 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [0,1,0,0,0,1|1,0,0]=3 754 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [0,1,0,0,0,1|1,0,0]=3 755 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [0,1,0,0,0,1|1,0,0]=3 756 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [0,1,0,0,0,1|1,0,0]=3 757 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [0,1,0,0,0,1|1,0,0]=3 758 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,1|1,0,0]=3 768 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,1|1,0,0]=3 776 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.25 C=Cc1ccc(nc1F)C 271570a_100011290941_100010006597 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.25 C=Cc1ccc(nc1N)C 271570a_100011290941_100009816662 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.25 C=Cc1ncc(cc1F)C 271570a_100011290941_100009819633 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.25 C=Cc1ncc(cc1N)C 271570a_100011290941_100000733613 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [0,1,0,0,0,1|1,0,0]=3 807 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [0,1,0,0,0,1|1,0,0]=3 808 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.176 C=Cc1cc(c(cn1)C)F 271570a_100011290941_100009841206 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.176 C=Cc1cc(c(cn1)C)N 271570a_100011290941_100000690170 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.176 C=Cc1ccc(c(n1)N)C 271570a_100011290941_100009857032 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.176 C=Cc1cnc(c(c1)F)C 271570a_100011290941_100009845756 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.176 C=Cc1cnc(c(c1)N)C 271570a_100011290941_100011999542 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [0,1,0,0,0,1|1,0,0]=3 842 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [0,1,0,0,0,1|2,0,0]=4 844 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.2 C=Cc1ccnc(c1C)C 271570a_100011290941_100009846815 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.2 C=Cc1ccnc(c1Cl)C 271570a_100011290941_100000698670 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.2 C=Cc1ccnc(c1F)C 271570a_100011290941_100009849794 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.2 C=Cc1ccnc(c1N)C 271570a_100011290941_100009885578 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.2 C=Cc1cncc(c1C)C 271570a_100011290941_100009864703 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.2 C=Cc1cncc(c1N)C 271570a_100011290941_100009818025 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.2 C=Cc1nccc(c1C)C 271570a_100011290941_100009847204 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.2 C=Cc1nccc(c1F)C 271570a_100011290941_100009817629 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.2 C=Cc1nccc(c1N)C 271570a_100011290941_100000763560 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.2 C=Cc1nccc(c1O)C 271570a_100011290941_100000696282 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.2 Cc1c(ccnc1O)C=O 271570a_203496583355_100000096011 [0,1,0,0,0,1|2,0,0]=4 870 B10R1.2 Cc1c(cncc1C=O)O 271570a_203496583355_100010214934 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.2 O=Cc1ccnc(c1F)O 271570a_203496583355_100010064874 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.2 O=Cc1ccnc(c1O)F 271570a_203496583355_100009856171 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.2 O=Cc1nccc(c1F)O 271570a_203496583355_100015713984 [0,1,0,0,0,1|2,0,0]=4 879 B10R1.8 C=Cc1cc([nH]c(=O)c1)C 271570a_100011290941_100009861981 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [0,1,0,0,0,1|2,0,0]=4 881 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [0,1,0,0,0,1|2,0,0]=4 882 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [0,1,0,0,0,1|2,0,0]=4 885 B10R1.8 C=Cc1cc(cc(n1)C)C 271570a_100011290941_100000069240 [0,1,0,0,0,1|2,0,0]=4 886 B10R1.8 C=Cc1cc(cc(n1)F)C 271570a_100011290941_100009819601 [0,1,0,0,0,1|2,0,0]=4 887 B10R1.8 C=Cc1cc(cc(n1)N)C 271570a_100011290941_100009819863 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.8 C=Cc1cc(nc(c1)C)C 271570a_100011290941_100009816552 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.8 C=Cc1cc(nc(c1)F)C 271570a_100011290941_100010006595 [0,1,0,0,0,1|2,0,0]=4 890 B10R1.8 C=Cc1cc(nc(c1)N)C 271570a_100011290941_100000076705 [0,1,0,0,0,1|2,0,0]=4 891 B10R1.8 C=Cc1cc(nc(n1)C)C 271570a_100011290941_100000736142 [0,1,0,0,0,1|2,0,0]=4 892 B10R1.8 C=Cc1cc(nc(n1)C)N 271570a_100011290941_100012178882 [0,1,0,0,0,1|2,0,0]=4 893 B10R1.8 C=Cc1cc(nc(n1)C)O 271570a_100011290941_106741647437 [0,1,0,0,0,1|2,0,0]=4 894 B10R1.8 C=Cc1nc(cc(n1)C)C 271570a_100011290941_100000736147 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.8 C=Cc1nc(cc(n1)N)C 271570a_100011290941_100000687285 [0,1,0,0,0,1|2,0,0]=4 896 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [0,1,0,0,0,1|1,0,0]=3 897 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [0,1,0,0,0,1|1,0,0]=3 898 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [0,1,0,0,0,1|2,0,0]=4 900 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [0,1,0,0,0,1|2,0,0]=4 901 B10R1.10 C=C=Cc1cc(ccn1)C 271570a_100015277604_100000750283 [0,1,0,0,0,1|2,0,0]=4 902 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [0,1,0,0,0,1|2,0,0]=4 903 B10R1.10 C=C=Cc1cccc(n1)C 271570a_100015277604_100000742759 [0,1,0,0,0,1|2,0,0]=4 904 B10R1.10 C=C=Cc1ccnc(c1)C 271570a_100015277604_100000758586 [0,1,0,0,0,1|2,0,0]=4 905 B10R1.10 C=C=Cc1ccnc(n1)C 271570a_100015277604_100000749937 [0,1,0,0,0,1|2,0,0]=4 906 B10R1.10 C=C=Cc1cncc(c1)C 271570a_100015277604_100000760492 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.10 C=C=Cc1cncc(n1)C 271570a_100015277604_100009842155 [0,1,0,0,0,1|2,0,0]=4 908 B10R1.10 C=C=Cc1nccc(n1)C 271570a_100015277604_100011243806 [0,1,0,0,0,1|2,0,0]=4 909 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [0,1,0,0,0,1|2,0,0]=4 912 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.10 CC=Cc1ccnc(n1)C 271570a_100016259895_100000749937 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.10 CC=Cc1nccc(n1)C 271570a_100016259895_100011243806 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [0,1,0,0,0,1|2,0,0]=4 919 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [0,1,0,0,0,1|2,0,0]=4 920 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [0,1,0,0,0,1|2,0,0]=4 921 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [0,1,0,0,0,1|2,0,0]=4 922 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [0,1,0,0,0,1|2,0,0]=4 923 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [0,1,0,0,0,1|2,0,0]=4 924 B10R1.30 C=Cc1cc(cnc1C)C 271570a_100011290941_100009817436 [0,1,0,0,0,1|2,0,0]=4 925 B10R1.30 C=Cc1cc(cnc1Cl)C 271570a_100011290941_100010210167 [0,1,0,0,0,1|2,0,0]=4 926 B10R1.30 C=Cc1cc(cnc1F)C 271570a_100011290941_100000049784 [0,1,0,0,0,1|2,0,0]=4 927 B10R1.30 C=Cc1cc(cnc1N)C 271570a_100011290941_100000049664 [0,1,0,0,0,1|2,0,0]=4 928 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [0,1,0,0,0,1|2,0,0]=4 929 B10R1.30 C=Cc1cc(ncc1C)C 271570a_100011290941_100009862788 [0,1,0,0,0,1|2,0,0]=4 930 B10R1.30 C=Cc1cc(ncc1F)C 271570a_100011290941_100009867690 [0,1,0,0,0,1|2,0,0]=4 931 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [0,1,0,0,0,1|2,0,0]=4 932 B10R1.30 C=Cc1nc(c[nH]c1=O)C 271570a_100011290941_100009858157 [0,1,0,0,0,1|2,0,0]=4 933 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [0,1,0,0,0,1|2,0,0]=4 934 B10R1.30 C=Cc1nc(ccc1F)C 271570a_100011290941_100009817602 [0,1,0,0,0,1|2,0,0]=4 935 B10R1.30 C=Cc1nc(ccc1N)C 271570a_100011290941_100000685570 [0,1,0,0,0,1|2,0,0]=4 936 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [0,1,0,0,0,1|2,0,0]=4 937 B10R1.30 C=Cc1nc(cnc1C)C 271570a_100011290941_100000211308 [0,1,0,0,0,1|2,0,0]=4 938 B10R1.30 C=Cc1nc(cnc1N)C 271570a_100011290941_100009819049 [0,1,0,0,0,1|2,0,0]=4 939 B10R1.30 C=Cc1nc(ncc1F)C 271570a_100011290941_100000059819 [0,1,0,0,0,1|2,0,0]=4 940 B10R1.30 C=Cc1nc(ncc1N)C 271570a_100011290941_100009873743 [0,1,0,0,0,1|2,0,0]=4 941 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,1,0,0,0,1|1,0,0]=3 942 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [0,1,0,0,0,1|1,0,0]=3 943 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,1,0,0,0,1|2,0,0]=4 944 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [0,1,0,0,0,1|1,0,0]=3 945 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [0,1,0,0,0,1|2,0,0]=4 946 B10R1.30 Nc1ncc(cc1C=O)O 271570a_203496583355_100009814808 [0,1,0,0,0,1|2,0,0]=4 947 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [0,1,0,0,0,1|2,0,0]=4 948 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [0,1,0,0,0,1|2,0,0]=4 949 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [0,1,0,0,0,1|2,0,0]=4 950 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [0,1,0,0,0,1|2,0,0]=4 951 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [0,1,0,0,0,1|2,0,0]=4 952 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [0,1,0,0,0,1|2,0,0]=4 953 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.30 O=Cc1cc(cnc1F)O 271570a_203496583355_100009814789 [0,1,0,0,0,1|2,0,0]=4 956 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [0,1,0,0,0,1|2,0,0]=4 957 B10R1.30 O=Cc1cc(ncc1F)O 271570a_203496583355_100000707870 [0,1,0,0,0,1|2,0,0]=4 958 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [0,1,0,0,0,1|2,0,0]=4 959 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,1|2,0,0]=4 960 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,1|2,0,0]=4 961 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,1|2,0,0]=4 962 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,0,1|2,0,0]=4 963 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,1|2,0,0]=4 964 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,1|2,0,0]=4 965 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,1|2,0,0]=4 966 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,1|2,0,0]=4 967 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,1|2,0,0]=4 968 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,1|2,0,0]=4 969 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,1|1,0,0]=3 970 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,1|2,0,0]=4 971 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,1|2,0,0]=4 972 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,1|2,0,0]=4 973 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,1|2,0,0]=4 974 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,1|2,0,0]=4 975 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|2,0,0]=4 976 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,1|2,0,0]=4 977 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,1|2,0,0]=4 978 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,1|2,0,0]=4 979 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,1|1,0,0]=3 980 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,1|2,0,0]=4 981 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,1|2,0,0]=4 982 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|2,0,0]=4 983 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,1|2,0,0]=4 984 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,1|2,0,0]=4 985 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,1|2,0,0]=4 986 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,1|2,0,0]=4 987 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,1|2,0,0]=4 988 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,1|2,0,0]=4 989 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,1|2,0,0]=4 990 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,1|2,0,0]=4 991 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,1|2,0,0]=4 992 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [0,1,0,0,0,1|1,0,1]=4 993 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [0,1,0,0,0,1|2,0,0]=4 994 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [0,1,0,0,0,1|2,0,0]=4 995 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,1,0,0,0,1|2,0,0]=4 996 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,1,0,0,0,1|2,0,0]=4 997 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [0,1,0,0,0,1|2,0,0]=4 998 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [0,1,0,0,0,1|2,0,0]=4 999 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [0,1,0,0,0,1|2,0,0]=4 1000 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [0,1,0,0,0,1|2,0,0]=4 1001 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [0,1,0,0,0,1|2,0,0]=4 1002 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,1,0,0,0,1|1,0,1]=4 1003 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,1,0,0,0,1|2,0,0]=4 1004 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,1,0,0,0,1|2,0,0]=4 1005 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,1,0,0,0,1|2,0,0]=4 1006 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,1,0,0,0,1|2,0,0]=4 1007 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,1,0,0,0,1|2,0,0]=4 1008 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,1,0,0,0,1|2,0,0]=4 1009 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,1,0,0,0,1|2,0,0]=4 1010 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,1,0,0,0,1|2,0,0]=4 1011 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,1,0,0,0,1|2,0,0]=4 1012 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,1,0,0,0,1|2,0,0]=4 1013 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,1,0,0,0,1|2,0,0]=4 1014 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,1,0,0,0,1|2,0,0]=4 1016 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,1,0,0,0,1|2,0,0]=4 1017 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,1,0,0,0,1|2,0,0]=4 1018 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,1,0,0,0,1|2,0,0]=4 1019 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,1,0,0,0,1|2,0,0]=4 1020 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,1,0,0,0,1|1,0,1]=4 1021 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,1,0,0,0,1|2,0,0]=4 1022 B10R1.172 C=Cc1cccc(n1)CN 271570a_100011290941_100016990191 [0,1,0,0,0,1|2,0,0]=4 1023 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,1,0,0,0,1|2,0,0]=4 1024 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,1,0,0,0,1|2,0,0]=4 1025 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,1,0,0,0,1|2,0,0]=4 1026 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [0,1,0,0,0,1|2,0,0]=4 1027 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [0,1,0,0,0,1|1,0,1]=4 1028 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [0,1,0,0,0,1|2,0,0]=4 1029 B10R1.172 C=Cc1ccnc(c1)CN 271570a_100011290941_100000085674 [0,1,0,0,0,1|2,0,0]=4 1030 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [0,1,0,0,0,1|2,0,0]=4 1031 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [0,1,0,0,0,1|2,0,0]=4 1032 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [0,1,0,0,0,1|2,0,0]=4 1033 B10R1.172 C=Cc1ccnc(n1)NC 271570a_100011290941_100012000420 [0,1,0,0,0,1|2,0,0]=4 1034 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [0,1,0,0,0,1|2,0,0]=4 1035 B10R1.172 C=Cc1ccnc(n1)SC 271570a_100011290941_100000032126 [0,1,0,0,0,1|2,0,0]=4 1036 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [0,1,0,0,0,1|1,0,1]=4 1037 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [0,1,0,0,0,1|2,0,0]=4 1038 B10R1.172 C=Cc1cncc(c1)CN 271570a_100011290941_100011249555 [0,1,0,0,0,1|2,0,0]=4 1039 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [0,1,0,0,0,1|2,0,0]=4 1040 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [0,1,0,0,0,1|2,0,0]=4 1041 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,1,0,0,0,1|2,0,0]=4 1042 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [0,1,0,0,0,1|2,0,0]=4 1043 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [0,1,0,0,0,1|2,0,0]=4 1044 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [0,1,0,0,0,1|2,0,0]=4 1045 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [0,1,0,0,0,1|2,0,0]=4 1046 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [0,1,0,0,0,1|2,0,0]=4 1047 B10R1.172 C=Cc1cncc(n1)CO 271570a_100011290941_100009853123 [0,1,0,0,0,1|2,0,0]=4 1048 B10R1.172 C=Cc1cncc(n1)NC 271570a_100011290941_100011529438 [0,1,0,0,0,1|2,0,0]=4 1049 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [0,1,0,0,0,1|2,0,0]=4 1050 B10R1.172 C=Cc1nccc(n1)CC 271570a_100011290941_100000100215 [0,1,0,0,0,1|2,0,0]=4 1051 B10R1.172 C=Cc1nccc(n1)NC 271570a_100011290941_100011649947 [0,1,0,0,0,1|2,0,0]=4 1052 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [0,1,0,0,0,1|2,0,0]=4 1053 B10R1.172 C=Cc1nccc(n1)SC 271570a_100011290941_100011650323 [0,1,0,0,0,1|2,0,0]=4 1054 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [0,1,0,0,0,1|1,0,0]=3 1055 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [0,1,0,0,0,1|1,0,0]=3 1056 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,1,0,0,0,1|1,0,0]=3 1057 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,1,0,0,0,1|1,0,0]=3 1058 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [0,1,0,0,0,1|1,0,0]=3 1059 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [0,1,0,0,0,1|1,0,0]=3 1060 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [0,1,0,0,0,1|1,0,0]=3 1061 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [0,1,0,0,0,1|1,0,0]=3 1062 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [0,1,0,0,0,1|1,0,0]=3 1063 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [0,1,0,0,0,1|1,0,0]=3 1064 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [0,1,0,0,0,1|1,0,0]=3 1065 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [0,1,0,0,0,1|1,0,0]=3 1066 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,1,0,0,0,1|1,0,0]=3 1067 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,1,0,0,0,1|1,0,0]=3 1068 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [0,1,0,0,0,1|1,0,0]=3 1069 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [0,1,0,0,0,1|1,0,0]=3 1070 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [0,1,0,0,0,1|1,0,0]=3 1071 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [0,1,0,0,0,1|1,0,0]=3 1072 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [0,1,0,0,0,1|1,0,0]=3 1073 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [0,1,0,0,0,1|1,0,0]=3 1074 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,2,0,0,0,0|1,1,0]=4 1076 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,2,0,0,0,0|1,0,0]=3 1077 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,2,0,0,0,0|1,0,1]=4 1078 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|1,1,0]=4 1080 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,2,0,0,0,0|1,0,0]=3 1081 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,2,0,0,0,0|1,1,0]=4 1084 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,2,0,0,0,0|1,0,0]=3 1085 B10R1.16 C#CCSc1ccc(s1)C 62a_100000038162_100000031368 [0,2,0,0,0,0|1,0,1]=4 1086 B10R1.16 C=CCSc1ccc(s1)Br 62a_100000210623_100010197418 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.16 C=CCSc1ccc(s1)Br 62a_100010197418_100000210623 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,2,0,0,0,0|1,0,0]=3 1089 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,2,0,0,0,0|1,0,0]=3 1090 B10R1.16 C=CCSc1cnc(s1)C 62a_100000210623_100000764884 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.16 C=CCSc1cnc(s1)C 62a_100000764884_100000210623 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.16 C=CCSc1ncc(s1)C 62a_100000210623_100000690809 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.16 C=CCSc1ncc(s1)C 62a_100000690809_100000210623 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,2,0,0,0,0|1,0,1]=4 1095 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,2,0,0,0,0|1,0,1]=4 1096 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,2,0,0,0,0|1,0,1]=4 1097 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,2,0,0,0,0|1,0,1]=4 1098 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,2,0,0,0,0|1,0,1]=4 1099 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,2,0,0,0,0|1,0,1]=4 1100 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,2,0,0,0,0|0,0,2]=4 1101 B10R1.16 COCSc1ccc(s1)C 62a_100000031368_100000766300 [0,2,0,0,0,0|0,0,2]=4 1102 B10R1.16 COCSc1ccc(s1)C 62a_100000766300_100000031368 [0,2,0,0,0,0|0,0,2]=4 1103 B10R1.16 CSCSc1ccc(s1)C 62a_100000031368_100011218213 [0,2,0,0,0,0|0,1,1]=4 1104 B10R1.16 CSCSc1ccc(s1)C 62a_100011218213_100000031368 [0,2,0,0,0,0|0,1,1]=4 1105 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_100161115468_200015260668 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_200015260668_100161115468 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.16 Cc1cc(cs1)SCC=O 62a_100000759034_200015260668 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.16 Cc1cc(cs1)SCC=O 62a_200015260668_100000759034 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,2,0,0,0,0|0,0,2]=4 1110 B10R1.16 Cc1ccc(s1)SCC#N 62a_100000031368_100011215382 [0,2,0,0,0,0|1,0,1]=4 1111 B10R1.16 Cc1ccc(s1)SCC#N 62a_100011215382_100000031368 [0,2,0,0,0,0|1,0,1]=4 1112 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,2,0,0,0,0|0,0,0]=2 1113 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,2,0,0,0,0|0,0,0]=2 1114 B10R1.16 Cc1ccc(s1)SCCF 62a_100000031368_100011217306 [0,2,0,0,0,0|1,0,1]=4 1115 B10R1.16 Cc1ccc(s1)SCCF 62a_100011217306_100000031368 [0,2,0,0,0,0|1,0,1]=4 1116 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,2,0,0,0,0|0,0,2]=4 1117 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,2,0,0,0,0|0,0,2]=4 1118 B10R1.16 Cc1cnc(s1)SCC=O 62a_100000690809_200015260668 [0,2,0,0,0,0|1,0,0]=3 1119 B10R1.16 Cc1cnc(s1)SCC=O 62a_200015260668_100000690809 [0,2,0,0,0,0|1,0,0]=3 1120 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.16 Cc1csc(n1)SCC=O 62a_100011291629_200015260668 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.16 Cc1csc(n1)SCC=O 62a_200015260668_100011291629 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.16 Cc1nc(cs1)SCC=O 62a_100011934587_200015260668 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.16 Cc1nc(cs1)SCC=O 62a_200015260668_100011934587 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.16 Cc1ncc(s1)SCC=O 62a_100000764884_200015260668 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.16 Cc1ncc(s1)SCC=O 62a_200015260668_100000764884 [0,2,0,0,0,0|1,0,0]=3 1130 B10R1.16 Cc1nnc(s1)SCC=O 62a_100000686958_200015260668 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.16 Cc1nnc(s1)SCC=O 62a_200015260668_100000686958 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.16 Cn1ccc(n1)OCC=O 34a_100012642153_200009817547 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.16 Cn1ccc(n1)SCC=O 62a_100000752436_200015260668 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.16 Cn1ccc(n1)SCC=O 62a_200015260668_100000752436 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.16 Nc1ncc(s1)SCC=O 62a_100000718969_200015260668 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.16 Nc1ncc(s1)SCC=O 62a_200015260668_100000718969 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,2,0,0,0,0|1,0,0]=3 1138 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,2,0,0,0,0|1,0,0]=3 1139 B10R1.16 O=CCSc1cnc(s1)Br 62a_100012357534_200015260668 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.16 O=CCSc1cnc(s1)Br 62a_200015260668_100012357534 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.54 CC(=Cc1cnc(s1)C)C 271570a_100102525489_100000764884 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.54 CC(=Cc1ncc(s1)C)C 271570a_100102525489_100000690809 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,2,0,0,0,0|1,0,0]=3 1149 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,2,0,0,0,0|1,0,0]=3 1158 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,2,0,0,0,0|1,0,1]=4 1160 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,2,0,0,0,0|1,0,1]=4 1161 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,2,0,0,0,0|1,0,1]=4 1162 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,2,0,0,0,0|1,0,1]=4 1163 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,2,0,0,0,0|1,0,1]=4 1164 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,2,0,0,0,0|1,0,1]=4 1165 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,2,0,0,0,0|1,0,1]=4 1166 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.96 C=C=Cc1ccc(o1)C=O 271570a_100015277604_100000185145 [0,2,0,0,0,0|0,1,1]=4 1171 B10R1.96 C=C=Cc1ccc(o1)CN 271570a_100015277604_100000708654 [0,2,0,0,0,0|1,1,0]=4 1172 B10R1.96 C=C=Cc1ccc(o1)CO 271570a_100015277604_100000246276 [0,2,0,0,0,0|1,1,0]=4 1173 B10R1.96 C=C=Cc1ccc(s1)C#N 271570a_100015277604_100000737243 [0,2,0,0,0,0|1,0,1]=4 1174 B10R1.96 C=C=Cc1ccc(s1)C=O 271570a_100015277604_100000179771 [0,2,0,0,0,0|0,0,1]=3 1175 B10R1.96 C=C=Cc1ccc(s1)CC 271570a_100015277604_100009844052 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.96 C=C=Cc1ccc(s1)CN 271570a_100015277604_100000737305 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.96 C=C=Cc1ccc(s1)CO 271570a_100015277604_100000246291 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.96 C=C=Cc1cnc(s1)C=O 271570a_100015277604_100000699580 [0,2,0,0,0,0|1,0,1]=4 1179 B10R1.96 C=C=Cc1cnc(s1)CN 271570a_100015277604_100016991807 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.96 C=C=Cc1cnc(s1)CO 271570a_100015277604_100000696694 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.96 C=C=Cc1cnc(s1)OC 271570a_100015277604_100000729428 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.96 C=C=Cc1ncc(s1)C=O 271570a_100015277604_100009814069 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.96 C=C=Cc1ncc(s1)CN 271570a_100015277604_100000726991 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.96 C=C=Cc1ncc(s1)CO 271570a_100015277604_100009816753 [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.96 C=Cc1ccc(o1)CNC 271570a_100011290941_100000207588 [0,2,0,0,0,0|1,1,0]=4 1186 B10R1.96 C=Cc1ccc(s1)CC#N 271570a_100011290941_100000740997 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.96 C=Cc1ccc(s1)CCC 271570a_100011290941_100010157708 [0,2,0,0,0,0|1,0,0]=3 1188 B10R1.96 CC=Cc1cc(c[nH]1)C=O 271570a_100016259895_100009882863 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.96 CC=Cc1cc(cs1)C=O 271570a_100016259895_100000737087 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,2,0,0,0,0|0,1,0]=3 1191 B10R1.96 CC=Cc1ccc(o1)CN 271570a_100016259895_100000708654 [0,2,0,0,0,0|1,1,0]=4 1192 B10R1.96 CC=Cc1ccc(o1)CO 271570a_100016259895_100000246276 [0,2,0,0,0,0|1,1,0]=4 1193 B10R1.96 CC=Cc1ccc(s1)C#N 271570a_100016259895_100000737243 [0,2,0,0,0,0|1,0,1]=4 1194 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [0,2,0,0,0,0|0,0,0]=2 1195 B10R1.96 CC=Cc1ccc(s1)CC 271570a_100016259895_100009844052 [0,2,0,0,0,0|1,0,0]=3 1196 B10R1.96 CC=Cc1ccc(s1)CN 271570a_100016259895_100000737305 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.96 CC=Cc1ccc(s1)CO 271570a_100016259895_100000246291 [0,2,0,0,0,0|1,0,0]=3 1198 B10R1.96 CC=Cc1cnc(s1)C=O 271570a_100016259895_100000699580 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.96 CC=Cc1cnc(s1)CN 271570a_100016259895_100016991807 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.96 CC=Cc1cnc(s1)CO 271570a_100016259895_100000696694 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.96 CC=Cc1cnc(s1)OC 271570a_100016259895_100000729428 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.96 CC=Cc1coc(c1)C=O 271570a_100016259895_100000747035 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.96 CC=Cc1csc(c1)C=O 271570a_100016259895_100000211722 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.96 CC=Cc1csc(n1)C=O 271570a_100016259895_100009816814 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.96 CC=Cc1nc(cs1)C=O 271570a_100016259895_100009816748 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.96 CC=Cc1ncc(s1)C=O 271570a_100016259895_100009814069 [0,2,0,0,0,0|1,0,0]=3 1207 B10R1.96 CC=Cc1ncc(s1)CN 271570a_100016259895_100000726991 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.96 CC=Cc1ncc(s1)CO 271570a_100016259895_100009816753 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,2,0,0,0,0|1,0,1]=4 1210 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,2,0,0,0,0|1,0,1]=4 1211 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,2,0,0,0,0|1,0,1]=4 1212 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,2,0,0,0,0|1,0,1]=4 1213 B10R1.96 CCNc1ncc(s1)C=O 27a_100015525214_100009814069 [0,2,0,0,0,0|1,0,0]=3 1214 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000210202_100000720742 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210202 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100000210202_100009882863 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100009882863_100000210202 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.96 CCSc1cc(cs1)C=O 62a_100000210202_100000737087 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.96 CCSc1cc(cs1)C=O 62a_100000737087_100000210202 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.96 CCSc1ccc([nH]1)C=O 62a_100000210202_100009875417 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.96 CCSc1ccc(o1)C=O 62a_100000210202_100000186757 [0,2,0,0,0,0|0,1,0]=3 1222 B10R1.96 CCSc1ccc(s1)C#N 62a_100000210202_100000737243 [0,2,0,0,0,0|1,0,1]=4 1223 B10R1.96 CCSc1ccc(s1)C=O 62a_100000179771_100000210202 [0,2,0,0,0,0|0,0,0]=2 1224 B10R1.96 CCSc1ccc(s1)C=O 62a_100000210202_100000179771 [0,2,0,0,0,0|0,0,0]=2 1225 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,2,0,0,0,0|1,0,1]=4 1226 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,2,0,0,0,0|1,0,1]=4 1227 B10R1.96 CCSc1ccc(s1)CN 62a_100000210202_100000737305 [0,2,0,0,0,0|1,0,1]=4 1228 B10R1.96 CCSc1ccc(s1)CN 62a_100000737305_100000210202 [0,2,0,0,0,0|1,0,1]=4 1229 B10R1.96 CCSc1ccc(s1)CO 62a_100000210202_100000246291 [0,2,0,0,0,0|0,0,2]=4 1230 B10R1.96 CCSc1ccc(s1)CO 62a_100000246291_100000210202 [0,2,0,0,0,0|0,0,2]=4 1231 B10R1.96 CCSc1cnc(s1)C=O 62a_100000210202_100000699580 [0,2,0,0,0,0|1,0,0]=3 1232 B10R1.96 CCSc1cnc(s1)C=O 62a_100000699580_100000210202 [0,2,0,0,0,0|1,0,0]=3 1233 B10R1.96 CCSc1coc(c1)C=O 62a_100000210202_100000747035 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.96 CCSc1coc(c1)C=O 62a_100000747035_100000210202 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.96 CCSc1csc(c1)C=O 62a_100000210202_100000211722 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.96 CCSc1csc(c1)C=O 62a_100000211722_100000210202 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.96 CCSc1csc(n1)C=O 62a_100000210202_100009816814 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.96 CCSc1csc(n1)C=O 62a_100009816814_100000210202 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.96 CCSc1nc(cs1)C=O 62a_100000210202_100009816748 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.96 CCSc1nc(cs1)C=O 62a_100009816748_100000210202 [0,2,0,0,0,0|2,0,0]=4 1241 B10R1.96 CCSc1ncc(s1)C=O 62a_100000210202_100009814069 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.96 CCSc1ncc(s1)C=O 62a_100009814069_100000210202 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,2,0,0,0,0|1,0,1]=4 1244 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,2,0,0,0,0|1,0,1]=4 1245 B10R1.96 CCc1ccc(s1)SCF 62a_100009844052_100015361967 [0,2,0,0,0,0|1,0,1]=4 1246 B10R1.96 CCc1ccc(s1)SCF 62a_100015361967_100009844052 [0,2,0,0,0,0|1,0,1]=4 1247 B10R1.96 CNCc1ccc(o1)C=O 2230a_106832991635_200000079136 [0,2,0,0,0,0|0,1,0]=3 1248 B10R1.96 CNCc1ccc(o1)C=O 34a_100102657272_200000079136 [0,2,0,0,0,0|0,1,0]=3 1249 B10R1.96 CNCc1ccc(o1)C=O 7a_106832991635_200000079136 [0,2,0,0,0,0|0,1,0]=3 1250 B10R1.96 CNCc1ccc(s1)C#N 207a_100102657272_100000091605 [0,2,0,0,0,0|1,0,1]=4 1251 B10R1.96 CNCc1ccc(s1)C#N 2230a_106832991635_100010188212 [0,2,0,0,0,0|1,0,1]=4 1252 B10R1.96 CNCc1ccc(s1)C#N 34a_100102657272_100010188212 [0,2,0,0,0,0|1,0,1]=4 1253 B10R1.96 CNCc1ccc(s1)C#N 7a_106832991635_100010188212 [0,2,0,0,0,0|1,0,1]=4 1254 B10R1.96 CNCc1ccc(s1)SC 207a_100102657272_100000720245 [0,2,0,0,0,0|1,0,1]=4 1255 B10R1.96 CNCc1ccc(s1)SC 270004a_106832991635_100000720245 [0,2,0,0,0,0|1,0,1]=4 1256 B10R1.96 CNCc1csc(c1)C=O 2230a_106832991635_100000070824 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.96 CNCc1csc(c1)C=O 34a_100102657272_100000070824 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.96 CNCc1csc(c1)C=O 7a_106832991635_100000070824 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.96 COCc1ccc(o1)C=O 34a_100138415774_200000079136 [0,2,0,0,0,0|0,1,0]=3 1260 B10R1.96 COCc1ccc(s1)C#N 34a_100138415774_100010188212 [0,2,0,0,0,0|1,0,1]=4 1261 B10R1.96 COCc1csc(c1)C=O 34a_100138415774_100000070824 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.96 CSCc1ccc(o1)C=O 62a_200000210301_200000079136 [0,2,0,0,0,0|0,1,0]=3 1263 B10R1.96 CSCc1ccc(s1)C#N 62a_200000210301_100010188212 [0,2,0,0,0,0|1,0,1]=4 1264 B10R1.96 CSCc1csc(c1)C=O 62a_100000070824_200000210301 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.96 CSCc1csc(c1)C=O 62a_200000210301_100000070824 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.96 CSc1ccc(s1)CC#N 62a_100000740997_200000210301 [0,2,0,0,0,0|1,0,1]=4 1267 B10R1.96 CSc1ccc(s1)CC#N 62a_200000210301_100000740997 [0,2,0,0,0,0|1,0,1]=4 1268 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,2,0,0,0,0|1,0,1]=4 1269 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,2,0,0,0,0|1,0,1]=4 1270 B10R1.96 N#Cc1ccc(s1)SCF 62a_100015361967_100000737243 [0,2,0,0,0,0|1,0,1]=4 1271 B10R1.96 NCc1ccc(s1)SCF 62a_100000737305_100015361967 [0,2,0,0,0,0|1,0,1]=4 1272 B10R1.96 NCc1ccc(s1)SCF 62a_100015361967_100000737305 [0,2,0,0,0,0|1,0,1]=4 1273 B10R1.96 O=Cc1c[nH]c(c1)SCF 62a_100009882863_100015361967 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.96 O=Cc1c[nH]c(c1)SCF 62a_100015361967_100009882863 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100000720742_100015361967 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100015361967_100000720742 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.96 O=Cc1cc(co1)SCF 62a_100000747035_100015361967 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.96 O=Cc1cc(co1)SCF 62a_100015361967_100000747035 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.96 O=Cc1cc(cs1)SCF 62a_100000211722_100015361967 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.96 O=Cc1cc(cs1)SCF 62a_100015361967_100000211722 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.96 O=Cc1ccc([nH]1)SCF 62a_100015361967_100009875417 [0,2,0,0,0,0|1,0,0]=3 1282 B10R1.96 O=Cc1ccc(o1)SCF 62a_100015361967_100000186757 [0,2,0,0,0,0|0,1,0]=3 1283 B10R1.96 O=Cc1ccc(s1)SCF 62a_100000179771_100015361967 [0,2,0,0,0,0|0,0,0]=2 1284 B10R1.96 O=Cc1ccc(s1)SCF 62a_100015361967_100000179771 [0,2,0,0,0,0|0,0,0]=2 1285 B10R1.96 O=Cc1cnc(s1)SCF 62a_100009814069_100015361967 [0,2,0,0,0,0|1,0,0]=3 1286 B10R1.96 O=Cc1cnc(s1)SCF 62a_100015361967_100009814069 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.96 O=Cc1csc(c1)SCF 62a_100000737087_100015361967 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.96 O=Cc1csc(c1)SCF 62a_100015361967_100000737087 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.96 O=Cc1csc(n1)SCF 62a_100009816748_100015361967 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.96 O=Cc1csc(n1)SCF 62a_100015361967_100009816748 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.96 O=Cc1nc(cs1)SCF 62a_100009816814_100015361967 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.96 O=Cc1nc(cs1)SCF 62a_100015361967_100009816814 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.96 O=Cc1ncc(s1)SCF 62a_100000699580_100015361967 [0,2,0,0,0,0|1,0,0]=3 1294 B10R1.96 O=Cc1ncc(s1)SCF 62a_100015361967_100000699580 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.96 OCc1ccc(s1)SCF 62a_100000246291_100015361967 [0,2,0,0,0,0|0,0,2]=4 1296 B10R1.96 OCc1ccc(s1)SCF 62a_100015361967_100000246291 [0,2,0,0,0,0|0,0,2]=4 1297 B10R1.96 [13CH3]SCc1ccc(o1)C=O 62a_200025704644_200000079136 [0,2,0,0,0,0|0,1,0]=3 1298 B10R1.96 [13CH3]SCc1ccc(s1)C#N 62a_200025704644_100010188212 [0,2,0,0,0,0|1,0,1]=4 1299 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_100000070824_200025704644 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.96 [13CH3]SCc1csc(c1)C=O 62a_200025704644_100000070824 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_100000740997_200025704644 [0,2,0,0,0,0|1,0,1]=4 1302 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_200025704644_100000740997 [0,2,0,0,0,0|1,0,1]=4 1303 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,2,0,0,0,0|1,0,1]=4 1304 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,2,0,0,0,0|1,0,1]=4 1305 B10R1.130 C=C=Cc1sc(cc1C)C 271570a_100015277604_100000689295 [0,2,0,0,0,0|1,0,0]=3 1306 B10R1.130 C=C=Cc1sc(nc1C)C 271570a_100015277604_100009814099 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.130 CC=Cc1sc(cc1C)C 271570a_100016259895_100000689295 [0,2,0,0,0,0|1,0,0]=3 1308 B10R1.130 CC=Cc1sc(nc1C)C 271570a_100016259895_100009814099 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.130 CCSc1sc(cc1C)C 62a_100000210202_100000689295 [0,2,0,0,0,0|1,0,1]=4 1310 B10R1.130 CCSc1sc(cc1C)C 62a_100000689295_100000210202 [0,2,0,0,0,0|1,0,1]=4 1311 B10R1.130 CNCc1sc(cc1Br)C 207a_100102657272_100011361552 [0,2,0,0,0,0|1,0,1]=4 1312 B10R1.130 CNCc1sc(cc1Br)C 270004a_106832991635_100011361552 [0,2,0,0,0,0|1,0,1]=4 1313 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100000689295_100015361967 [0,2,0,0,0,0|1,0,1]=4 1314 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100015361967_100000689295 [0,2,0,0,0,0|1,0,1]=4 1315 B10R1.131 C=C=Cc1cc(c(s1)C)C 271570a_100015277604_100009850898 [0,2,0,0,0,0|1,0,0]=3 1316 B10R1.131 C=C=Cc1nc(c(s1)C)C 271570a_100015277604_100000765934 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.131 CC=Cc1cc(c(s1)C)C 271570a_100016259895_100009850898 [0,2,0,0,0,0|1,0,0]=3 1318 B10R1.131 CC=Cc1nc(c(s1)C)C 271570a_100016259895_100000765934 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.131 CCSc1cc(c(s1)C)C 62a_100000210202_100009850898 [0,2,0,0,0,0|1,0,1]=4 1320 B10R1.131 CCSc1cc(c(s1)C)C 62a_100009850898_100000210202 [0,2,0,0,0,0|1,0,1]=4 1321 B10R1.131 CNCc1cc(c(s1)C)Br 207a_100102657272_100000708457 [0,2,0,0,0,0|1,0,1]=4 1322 B10R1.131 CNCc1cc(c(s1)C)Br 270004a_106832991635_100000708457 [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.131 CNCc1cc(c(s1)C)C 207a_100102657272_100011830369 [0,2,0,0,0,0|1,0,1]=4 1324 B10R1.131 CNCc1cc(c(s1)C)C 270004a_106832991635_100011830369 [0,2,0,0,0,0|1,0,1]=4 1325 B10R1.131 Cc1cc(sc1C)SCF 62a_100009850898_100015361967 [0,2,0,0,0,0|1,0,1]=4 1326 B10R1.131 Cc1cc(sc1C)SCF 62a_100015361967_100009850898 [0,2,0,0,0,0|1,0,1]=4 1327 B10R1.31 C=C(C)c1cc(c[nH]1)C=O 271570a_100000694244_100009882863 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.31 C=C(C)c1cc(cs1)C=O 271570a_100000694244_100000737087 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.31 C=C(C)c1ccc(o1)C=O 271570a_100000694244_100000185145 [0,2,0,0,0,0|0,1,0]=3 1330 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,2,0,0,0,0|1,1,0]=4 1331 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,2,0,0,0,0|1,1,0]=4 1332 B10R1.31 C=C(C)c1ccc(s1)C#N 271570a_100000694244_100000737243 [0,2,0,0,0,0|1,0,1]=4 1333 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,2,0,0,0,0|0,0,0]=2 1334 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,2,0,0,0,0|1,0,0]=3 1336 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,2,0,0,0,0|1,0,0]=3 1337 B10R1.31 C=C(C)c1cnc(s1)C=O 271570a_100000694244_100000699580 [0,2,0,0,0,0|1,0,0]=3 1338 B10R1.31 C=C(C)c1cnc(s1)CN 271570a_100000694244_100016991807 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.31 C=C(C)c1cnc(s1)CO 271570a_100000694244_100000696694 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.31 C=C(C)c1cnc(s1)OC 271570a_100000694244_100000729428 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.31 C=C(C)c1coc(c1)C=O 271570a_100000694244_100000747035 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.31 C=C(C)c1csc(c1)C=O 271570a_100000694244_100000211722 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.31 C=C(C)c1csc(n1)C=O 271570a_100000694244_100009816814 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.31 C=C(C)c1nc(cs1)C=O 271570a_100000694244_100009816748 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.31 C=C(C)c1ncc(s1)C=O 271570a_100000694244_100009814069 [0,2,0,0,0,0|1,0,0]=3 1346 B10R1.31 C=C(C)c1ncc(s1)CN 271570a_100000694244_100000726991 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.31 C=C(C)c1ncc(s1)CO 271570a_100000694244_100009816753 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,2,0,0,0,0|1,0,1]=4 1349 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,2,0,0,0,0|0,1,1]=4 1350 B10R1.31 C=Cc1ccc(o1)C(F)F 271570a_100011290941_100010688628 [0,2,0,0,0,0|1,1,0]=4 1351 B10R1.31 C=Cc1ccc(s1)B(O)O 271570a_100011290941_100009813780 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,2,0,0,0,0|0,0,1]=3 1353 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,2,0,0,0,0|0,0,1]=3 1354 B10R1.31 C=Cc1ccc(s1)C(C)N 271570a_100011290941_100102723530 [0,2,0,0,0,0|1,0,0]=3 1355 B10R1.31 C=Cc1ccc(s1)C(F)F 271570a_100011290941_100000733805 [0,2,0,0,0,0|1,0,0]=3 1356 B10R1.31 C=Cc1cnc(s1)C(=O)C 271570a_100011290941_100000693680 [0,2,0,0,0,0|1,0,1]=4 1357 B10R1.31 C=Cc1cnc(s1)C(F)F 271570a_100011290941_100010742959 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.31 C=Cc1cnc(s1)N(C)C 271570a_100011290941_100012356744 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [0,2,0,0,0,0|1,0,1]=4 1360 B10R1.31 C=Cc1ncc(s1)C(=O)N 271570a_100011290941_100010220624 [0,2,0,0,0,0|1,0,1]=4 1361 B10R1.31 C=Cc1ncc(s1)C(C)C 271570a_100011290941_100000697854 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,2,0,0,0,0|1,0,0]=3 1365 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,2,0,0,0,0|0,1,0]=3 1366 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,2,0,0,0,0|0,0,0]=2 1367 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,2,0,0,0,0|0,0,0]=2 1368 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,2,0,0,0,0|1,0,0]=3 1369 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,2,0,0,0,0|1,0,0]=3 1370 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,2,0,0,0,0|1,0,0]=3 1375 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,2,0,0,0,0|1,0,0]=3 1376 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_100102723530_200025704644 [0,2,0,0,0,0|1,0,1]=4 1377 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_200025704644_100102723530 [0,2,0,0,0,0|1,0,1]=4 1378 B10R1.31 CN(C)c1ncc(s1)C=O 27a_100102631434_100009814069 [0,2,0,0,0,0|1,0,0]=3 1379 B10R1.31 CNc1nc(co1)C(=O)N 27a_100102657272_100009981048 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.31 CNc1nc(cs1)C(=O)N 27a_100102657272_100010247141 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.31 CNc1ncc(s1)C(=O)N 27a_100102657272_100010220624 [0,2,0,0,0,0|1,0,0]=3 1383 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,2,0,0,0,0|1,0,0]=3 1390 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,2,0,0,0,0|0,1,0]=3 1391 B10R1.31 CSc1ccc(s1)B(O)O 62a_100009813780_200000210301 [0,2,0,0,0,0|1,0,1]=4 1392 B10R1.31 CSc1ccc(s1)B(O)O 62a_200000210301_100009813780 [0,2,0,0,0,0|1,0,1]=4 1393 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,2,0,0,0,0|0,0,0]=2 1394 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,2,0,0,0,0|0,0,0]=2 1395 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,2,0,0,0,0|0,0,0]=2 1396 B10R1.31 CSc1ccc(s1)C(C)N 62a_100102723530_200000210301 [0,2,0,0,0,0|1,0,1]=4 1397 B10R1.31 CSc1ccc(s1)C(C)N 62a_200000210301_100102723530 [0,2,0,0,0,0|1,0,1]=4 1398 B10R1.31 CSc1ccc(s1)C(F)F 62a_100000733805_200000210301 [0,2,0,0,0,0|1,0,1]=4 1399 B10R1.31 CSc1ccc(s1)C(F)F 62a_200000210301_100000733805 [0,2,0,0,0,0|1,0,1]=4 1400 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,2,0,0,0,0|1,0,0]=3 1401 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.31 CSc1nc(co1)C(=O)N 62a_100009981048_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.31 CSc1nc(co1)C(=O)N 62a_200000210301_100009981048 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.31 CSc1nc(cs1)C(=O)N 62a_100010247141_200000210301 [0,2,0,0,0,0|2,0,0]=4 1413 B10R1.31 CSc1nc(cs1)C(=O)N 62a_200000210301_100010247141 [0,2,0,0,0,0|2,0,0]=4 1414 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,2,0,0,0,0|1,0,0]=3 1416 B10R1.31 CSc1ncc(s1)C(=O)N 62a_100010220624_200000210301 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.31 CSc1ncc(s1)C(=O)N 62a_200000210301_100010220624 [0,2,0,0,0,0|1,0,0]=3 1418 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_100009813780_200025704644 [0,2,0,0,0,0|1,0,1]=4 1423 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_200025704644_100009813780 [0,2,0,0,0,0|1,0,1]=4 1424 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,2,0,0,0,0|0,0,0]=2 1425 B10R1.31 [13CH3]Sc1ccc(s1)C(F)F 62a_100000733805_200025704644 [0,2,0,0,0,0|1,0,1]=4 1426 B10R1.31 [13CH3]Sc1ccc(s1)C(F)F 62a_200025704644_100000733805 [0,2,0,0,0,0|1,0,1]=4 1427 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_100009981048_200025704644 [0,2,0,0,0,0|2,0,0]=4 1432 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_200025704644_100009981048 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_100010247141_200025704644 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_200025704644_100010247141 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_100010220624_200025704644 [0,2,0,0,0,0|1,0,0]=3 1436 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_200025704644_100010220624 [0,2,0,0,0,0|1,0,0]=3 1437 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [0,2,0,0,0,0|0,0,1]=3 1438 B10R1.35 C=Cc1cc(sc1C)C=O 271570a_100011290941_100000708457 [0,2,0,0,0,0|0,0,0]=2 1439 B10R1.35 C=Cc1cc(sc1C)CO 271570a_100011290941_100013897464 [0,2,0,0,0,0|0,0,2]=4 1440 B10R1.35 C=Cc1nc(c(s1)C)CO 271570a_100011290941_100010127906 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.35 C=Cc1nc(c(s1)C=O)C 271570a_100011290941_100010339034 [0,2,0,0,0,0|1,0,1]=4 1442 B10R1.35 C=Cc1nc(c(s1)CO)C 271570a_100011290941_100010264302 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [0,2,0,0,0,0|0,0,1]=3 1444 B10R1.35 C=Cc1sc(nc1C)CC 271570a_100011290941_100010138847 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.35 CCn1cc(c(n1)C=O)O 271570a_203496583355_100000763637 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.35 CNc1nc(c(s1)C=O)C 27a_100102657272_100010339034 [0,2,0,0,0,0|1,0,0]=3 1447 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [0,2,0,0,0,0|0,0,0]=2 1448 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [0,2,0,0,0,0|0,0,0]=2 1449 B10R1.35 CSc1cc(sc1C)C=O 62a_100000708457_200000210301 [0,2,0,0,0,0|0,0,0]=2 1450 B10R1.35 CSc1cc(sc1C)C=O 62a_200000210301_100000708457 [0,2,0,0,0,0|0,0,0]=2 1451 B10R1.35 CSc1cc(sc1C)CO 62a_100013897464_200000210301 [0,2,0,0,0,0|0,0,2]=4 1452 B10R1.35 CSc1cc(sc1C)CO 62a_200000210301_100013897464 [0,2,0,0,0,0|0,0,2]=4 1453 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200000210301_200010262729 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200010262729_200000210301 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.35 CSc1nc(c(s1)C=O)C 62a_100010339034_200000210301 [0,2,0,0,0,0|1,0,0]=3 1456 B10R1.35 CSc1nc(c(s1)C=O)C 62a_200000210301_100010339034 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.35 CSc1sc(cc1C)C=O 62a_100000761930_200000210301 [0,2,0,0,0,0|0,0,0]=2 1458 B10R1.35 CSc1sc(cc1C)C=O 62a_200000210301_100000761930 [0,2,0,0,0,0|0,0,0]=2 1459 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [0,2,0,0,0,0|0,0,0]=2 1460 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [0,2,0,0,0,0|0,0,0]=2 1461 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_100000761930_200025704644 [0,2,0,0,0,0|0,0,0]=2 1462 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_200025704644_100000761930 [0,2,0,0,0,0|0,0,0]=2 1463 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_100010339034_200025704644 [0,2,0,0,0,0|1,0,0]=3 1464 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_200025704644_100010339034 [0,2,0,0,0,0|1,0,0]=3 1465 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200010262729_200025704644 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200025704644_200010262729 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_100000708457_200025704644 [0,2,0,0,0,0|0,0,0]=2 1468 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_200025704644_100000708457 [0,2,0,0,0,0|0,0,0]=2 1469 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_100013897464_200025704644 [0,2,0,0,0,0|0,0,2]=4 1470 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_200025704644_100013897464 [0,2,0,0,0,0|0,0,2]=4 1471 B10R1.258 CSc1cnc(n1C)C=O 62a_200000210301_200009816901 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.258 CSc1cnc(n1C)C=O 62a_200009816901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.258 Cn1c(cnc1C=O)S[13CH3] 62a_200009816901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.258 Cn1c(cnc1C=O)S[13CH3] 62a_200025704644_200009816901 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.32 C=Cc1cc(sc1C=O)C 271570a_100011290941_100011361552 [0,2,0,0,0,0|0,0,0]=2 1476 B10R1.32 C=Cc1sc(nc1CO)C 271570a_100011290941_100011103066 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.32 CSc1cc(sc1C=O)C 62a_100011361552_200000210301 [0,2,0,0,0,0|0,0,0]=2 1478 B10R1.32 CSc1cc(sc1C=O)C 62a_200000210301_100011361552 [0,2,0,0,0,0|0,0,0]=2 1479 B10R1.32 CSc1cn(nc1C=O)C 62a_100009813915_200000210301 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.32 CSc1cn(nc1C=O)C 62a_200000210301_100009813915 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_100011361552_200025704644 [0,2,0,0,0,0|0,0,0]=2 1482 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_200025704644_100011361552 [0,2,0,0,0,0|0,0,0]=2 1483 B10R1.32 Cn1cc(c(n1)C=O)S[13CH3] 62a_100009813915_200025704644 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.32 Cn1cc(c(n1)C=O)S[13CH3] 62a_200025704644_100009813915 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,2,0,0,0,0|1,0,0]=3 1486 B10R1.59 C=C(C)c1sc(nc1C)C 271570a_100000694244_100009814099 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.59 Cc1cc(c(s1)B(O)O)O 271570a_203496583355_200010138670 [0,2,0,0,0,0|1,0,1]=4 1489 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,2,0,0,0,0|1,0,0]=3 1490 B10R1.58 C=C(C)c1nc(c(s1)C)C 271570a_100000694244_100000765934 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,2,0,0,0,0|1,0,0]=3 1492 B10R1.58 Cc1sc(cc1O)B(O)O 271570a_203496583355_100010218474 [0,2,0,0,0,0|1,0,1]=4 1493 B10R1.55 NS(=O)(=O)c1ccc(s1)O 271570a_203496583355_100000164582 [0,2,0,0,0,0|2,0,0]=4 1494 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,1,1,0,0|1,0,1]=4 1495 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,1,1,0,0|1,0,1]=4 1496 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,1,1,0,0|1,1,0]=4 1497 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [0,1,0,1,0,0|1,1,0]=4 1498 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,1,0,1,0,0|1,0,1]=4