0 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,0,0,0,0,0|1,1,0]=2 5 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,0,0,0,0,0|2,1,0]=3 15 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,0,0,0,0,0|2,1,0]=3 28 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|1,0,0]=2 33 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|1,1,0]=3 34 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|2,0,0]=3 38 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|2,1,0]=4 39 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|2,1,0]=4 43 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,1,0,0,0,0|1,1,1]=4 47 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,1,0,0,0,0|0,1,1]=3 48 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,1,0,0,0,0|1,1,1]=4 50 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,1,0,0,0,0|2,0,1]=4 53 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,1,0,0,0,0|1,1,1]=4 55 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,0,0,0|1,1,0]=3 58 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [0,1,0,0,0,0|2,1,0]=4 64 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,1,0,0,0,0|2,1,0]=4 69 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,1,0,0,0,0|1,1,0]=3 81 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,1,0,0,0,0|1,1,0]=3 82 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,0,0,0|0,1,0]=2 83 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,0,0,0|0,1,0]=2 84 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,1,0,0,0,0|2,1,0]=4 89 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,1,0,0,0,0|2,1,0]=4 90 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,1,0,0,0,0|1,1,0]=3 91 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,1,0,0,0,0|1,1,0]=3 92 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,1,0,0,0,0|2,1,0]=4 93 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,1,0,0,0,0|2,1,0]=4 94 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,0,0,0|1,1,0]=3 118 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,0,0,0|1,1,0]=3 119 B8R1.1 CSc1ncn(n1)C 62a_100009819955_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 CSc1ncn(n1)C 62a_200000210301_100009819955 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [0,1,0,0,0,0|2,1,0]=4 123 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [0,1,0,0,0,0|2,1,0]=4 124 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,0,0,0|0,1,0]=2 137 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,0,0,0|0,1,0]=2 138 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,0,0,0|1,1,0]=3 139 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,0,0,0|1,1,0]=3 140 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,1,0,0,0,0|1,1,0]=3 154 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,1,0,0,0,0|1,1,0]=3 155 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [0,1,0,0,0,0|2,1,0]=4 158 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_100009819955_200025704644 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_200025704644_100009819955 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,1,0,0,0,0|1,0,1]=3 174 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,1,0,0,0,0|1,1,1]=4 175 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,1,0,0,0,0|2,1,0]=4 178 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,0,0|1,0,1]=3 180 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,1,0,0,0,0|1,1,1]=4 181 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|1,1,0]=3 184 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,1,0,0,0,0|2,1,0]=4 188 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,1,0,0,0,0|1,1,0]=3 189 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,1,0,0,0,0|1,1,0]=3 190 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,1,0,0,0,0|2,1,0]=4 191 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,1,0,0,0,0|2,1,0]=4 192 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,1,0,0,0,0|2,1,0]=4 193 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,1,0,0,0,0|2,1,0]=4 194 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,1,0,0,0,0|0,1,0]=2 201 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,1,0,0,0,0|1,1,0]=3 202 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,1,0,0,0,0|1,1,0]=3 205 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,1,0,0,0,0|1,1,0]=3 208 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,1,0,0,0,0|2,1,0]=4 214 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.18 Oc1cc(sc1Cl)Cl 271570a_203496583355_100010244177 [0,1,0,0,0,0|2,1,0]=4 218 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,1,0,0,0|0,0,2]=3 231 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,1,0,0,0|1,0,2]=4 232 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,1,0,0,0|0,1,2]=4 233 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,0,1,0,0,0|2,0,1]=4 234 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,1,0,0,0|2,0,1]=4 236 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,1,0,0,0|2,0,1]=4 237 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,1,0,0,0|2,0,1]=4 238 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,1,0,0,0|2,0,1]=4 239 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,1,0,0,0|2,0,1]=4 241 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,1,0,0,0|3,0,0]=4 242 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|3,0,0]=4 244 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|3,0,0]=4 245 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|3,0,0]=4 247 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|0,0,2]=3 249 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [0,0,1,0,0,0|2,0,1]=4 250 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,0,1,0,0,0|0,0,2]=3 251 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,0,1,0,0,0|0,0,2]=3 252 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,1,0,0,0|2,0,1]=4 255 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,1,0,0,0|2,0,1]=4 256 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|0,0,2]=3 257 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|0,0,2]=3 258 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|0,0,2]=3 259 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,1,0,0,0|2,0,1]=4 261 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,1,0,0,0|0,0,2]=3 262 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,1,0,0,0|0,0,2]=3 263 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 267 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,0,1,0,0,0|1,0,1]=3 268 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,0,1,0,0,0|1,0,1]=3 269 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,1,0,0,0|2,0,1]=4 271 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,1,0,0,0|2,0,1]=4 272 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,1,0,0,0|2,0,1]=4 273 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,0,0,1|2,0,1]=4 278 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,0,0,0,1|2,0,0]=3 280 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,0,0,0,1|2,0,0]=3 281 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,0,0,0,1|2,0,0]=3 282 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,0,0,0,1|2,0,0]=3 283 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.3 Nc1ccc(nn1)O 271570a_203496583355_100009816609 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,0,0,0,0,1|3,0,0]=4 292 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 304 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 305 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 308 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,0,0,0,1|2,0,0]=3 313 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,0,0,0,1|2,0,0]=3 314 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,0,0,0,0,1|2,0,0]=3 315 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,0,0,0,0,1|2,0,0]=3 316 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,0,0,0,0,1|3,0,0]=4 319 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,0,0,0,0,1|2,0,0]=3 320 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,0,0,0,0,1|3,0,0]=4 351 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 352 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|2,0,0]=4 353 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 354 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|2,0,0]=4 355 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|2,0,0]=4 356 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|2,0,0]=4 357 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|2,0,0]=4 358 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|2,0,0]=4 359 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|2,0,0]=4 360 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|2,0,0]=4 361 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|0,0,2]=4 362 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|0,0,2]=4 363 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|0,0,2]=4 364 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,0,1]=4 365 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,0,1]=4 366 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,0,1]=4 367 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,0,1]=3 368 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,0,1]=3 369 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,0,1]=4 370 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,0,1]=4 371 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,0,1]=4 372 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 373 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 374 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|1,0,1]=4 375 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|1,0,1]=4 376 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|1,0,1]=4 377 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|1,0,1]=4 378 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|1,0,1]=4 379 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|1,0,1]=4 380 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|1,0,1]=4 381 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|0,0,2]=4 382 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|0,0,2]=4 383 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 384 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 385 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 386 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|1,0,1]=4 388 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|1,0,1]=4 389 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|1,0,1]=4 390 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|1,0,1]=4 391 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|1,0,1]=4 392 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|2,0,0]=4 393 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|2,0,0]=4 394 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|0,0,1]=3 395 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|0,0,1]=3 396 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|0,1,1]=4 397 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|0,1,1]=4 398 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,1,0,0,0|1,0,1]=4 400 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,1,0,0,0|1,0,1]=4 401 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,1,0,0,0|0,0,2]=4 402 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,1,1,0,0,0|1,0,1]=4 403 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,1,0,0,0|0,0,2]=4 406 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,1,0,0,0|0,0,2]=4 407 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,1,0,0,0|1,0,1]=4 408 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,1,0,0,0|0,0,2]=4 409 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,1,0,0,0|0,0,2]=4 410 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,1,0,0,0|0,0,2]=4 411 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,1,0,0,0|0,0,2]=4 412 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,1,0,0,0|0,0,2]=4 413 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|0,0,2]=4 414 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,1,0,0,0|0,0,2]=4 416 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,1,0,0,0|0,0,2]=4 417 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,1,0,0,0|0,0,2]=4 418 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,1,0,0,0|0,0,2]=4 419 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|0,0,2]=4 420 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|0,0,2]=4 421 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|0,0,1]=3 422 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|0,0,1]=3 423 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|0,0,2]=4 424 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|0,0,2]=4 425 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|0,0,2]=4 426 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,1,0,0,0|0,0,2]=4 427 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,1,0,0,0|0,0,2]=4 428 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,1,0,0,0|0,0,2]=4 429 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,1,0,0,0|0,0,2]=4 430 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,1,0,0,0|0,0,2]=4 431 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,1,0,0,0|0,0,2]=4 432 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,1,0,0,0|0,0,2]=4 433 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,1,1,0,0,0|0,0,2]=4 434 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,1,0,0,0|0,0,2]=4 435 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,1,0,0,0|0,0,2]=4 436 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,1,1,0,0,0|0,0,2]=4 437 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,1,0,0,0,0|0,0,1]=3 438 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,1,0,0,0,0|0,1,1]=4 439 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,1,0,0,0,0|1,0,1]=4 440 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,1,0,0,0,0|1,0,1]=4 441 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 442 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,1,0,0,0,0|2,0,0]=4 443 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,1,0,0,0,0|2,0,0]=4 444 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,1,0,0,0,0|2,0,0]=4 447 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,1,0,0,0,0|0,0,0]=2 448 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,1,0,0,0,0|0,0,0]=2 449 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,1,0,0,0,0|0,1,0]=3 450 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,1,0,0,0,0|0,1,0]=3 451 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,1,0,0,0,0|2,0,0]=4 452 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,1,0,0,0,0|2,0,0]=4 453 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,1,0,0,0,0|2,0,0]=4 454 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,1,0,0,0,0|2,0,0]=4 455 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,1,0,0,0,0|2,0,0]=4 456 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,1,0,0,0,0|1,0,0]=3 460 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,1,0,0,0,0|1,0,0]=3 461 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,1,0,0,0,0|1,1,0]=4 462 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,1,0,0,0,0|1,1,0]=4 463 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,1,0,0,0,0|2,0,0]=4 467 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,1,0,0,0,0|1,0,0]=3 468 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,1,0,0,0,0|1,0,0]=3 469 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,1,0,0,0,0|1,1,0]=4 470 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,1,0,0,0,0|1,1,0]=4 471 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 472 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,1,0,0,0,0|2,0,0]=4 473 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,1,0,0,0,0|2,0,0]=4 474 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,1,0,0,0,0|2,0,0]=4 476 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,1,0,0,0,0|0,0,0]=2 478 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,1,0,0,0,0|0,0,0]=2 479 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,1,0,0,0,0|0,1,0]=3 480 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,1,0,0,0,0|0,1,0]=3 481 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,1,0,0,0,0|2,0,0]=4 485 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,1,0,0,0,0|2,0,0]=4 486 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,1,0,0,0,0|2,0,0]=4 488 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,1,0,0,0,0|1,0,0]=3 490 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,1,0,0,0,0|1,0,0]=3 491 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,1,0,0,0,0|1,1,0]=4 492 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,1,0,0,0,0|1,1,0]=4 493 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,1,0,0,0,0|2,0,0]=4 495 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,1,0,0,0,0|2,0,0]=4 497 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,1,0,0,0,0|1,0,0]=3 498 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,1,0,0,0,0|1,0,0]=3 499 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,1,0,0,0,0|1,1,0]=4 500 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,1,0,0,0,0|1,1,0]=4 501 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|1,1,0]=4 503 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|2,0,0]=4 504 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,1,0,0,0,0|2,0,0]=4 506 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|1,0,0]=3 507 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|0,1,0]=3 508 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,1,0,0,0,0|1,1,0]=4 509 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,1,0,0,0,0|2,0,0]=4 510 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,1,0,0,0,0|1,1,0]=4 511 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [0,1,0,0,0,1|1,0,1]=4 512 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,1,0,0,0,1|1,0,1]=4 513 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [0,1,0,0,0,1|1,0,1]=4 514 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [0,1,0,0,0,1|1,0,1]=4 515 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.1 CNc1ccc(nn1)O 271570a_203496583355_100000215272 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.1 CNc1ncc(cn1)C 27a_100102657272_100000061069 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,1,0,0,0,1|1,0,0]=3 538 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,1,0,0,0,1|1,0,0]=3 547 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,1,0,0,0,1|1,0,0]=3 554 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,1,0,0,0,1|1,0,0]=3 555 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.1 COc1cnc(nc1)C 34a_100000062939_200000210301 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.1 COc1cnc(nc1)C 7a_100000062939_200000210301 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,1,0,0,0,1|1,0,0]=3 574 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,1,0,0,0,1|1,0,0]=3 575 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,1,0,0,0,1|1,0,0]=3 586 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,1,0,0,0,1|1,0,0]=3 587 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [0,1,0,0,0,1|1,0,0]=3 599 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [0,1,0,0,0,1|1,0,0]=3 600 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [0,1,0,0,0,1|1,0,0]=3 608 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [0,1,0,0,0,1|1,0,0]=3 609 B9R1.1 CSc1ccc(nn1)Cl 62a_100000068654_200000210301 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.1 CSc1ccc(nn1)Cl 62a_200000210301_100000068654 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.1 CSc1ccc(nn1)N 62a_100010219413_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.1 CSc1ccc(nn1)N 62a_200000210301_100010219413 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.1 CSc1cnc(nc1)C 62a_100000686985_200000210301 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.1 CSc1cnc(nc1)C 62a_200000210301_100000686985 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.1 CSc1ncc(cn1)C 62a_100000061069_200000210301 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.1 CSc1ncc(cn1)C 62a_200000210301_100000061069 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,1,0,0,0,1|1,0,0]=3 620 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,1,0,0,0,1|1,0,0]=3 621 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,1,0,0,0,1|1,0,0]=3 622 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,1,0,0,0,1|1,0,0]=3 624 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,1,0,0,0,1|1,0,0]=3 625 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,1,0,0,0,1|1,0,0]=3 626 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [0,1,0,0,0,1|1,0,0]=3 627 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [0,1,0,0,0,1|1,0,0]=3 628 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,1,0,0,0,1|1,0,0]=3 629 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,1,0,0,0,1|1,0,0]=3 630 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,1,0,0,0,1|1,0,0]=3 631 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [0,1,0,0,0,1|1,0,0]=3 632 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [0,1,0,0,0,1|1,0,0]=3 633 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_100000061069_200025704644 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_200025704644_100000061069 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.1 Cc1ncc(cn1)O[13CH3] 34a_100000062939_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.1 Cc1ncc(cn1)O[13CH3] 7a_100000062939_200025704644 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.1 Cc1ncc(cn1)S[13CH3] 62a_100000686985_200025704644 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.1 Cc1ncc(cn1)S[13CH3] 62a_200025704644_100000686985 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_100000068654_200025704644 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_200025704644_100000068654 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_100010219413_200025704644 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_200025704644_100010219413 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.69 Cc1cc(c(=O)[nH]n1)O 271570a_203496583355_100009819039 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.69 Cc1cc(c(cn1)C)O 271570a_203496583355_100009862788 [0,1,0,0,0,1|1,0,0]=3 714 B9R1.69 Cc1cc(c(cn1)F)O 271570a_203496583355_100009867690 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.69 Cc1cc(c(cn1)O)N 271570a_203496583355_100009817891 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.69 Cc1cc(cnc1C)O 271570a_203496583355_100000697892 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.69 Cc1ccc([n+](c1)[O-])O 271570a_203496583355_100009819918 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [0,1,0,0,0,1|1,0,0]=3 728 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.69 Cc1ccc(c(n1)O)C 271570a_203496583355_100009854376 [0,1,0,0,0,1|1,0,0]=3 737 B9R1.69 Cc1ccc(c(n1)O)F 271570a_203496583355_100009817602 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.69 Cc1ccc(c(n1)O)N 271570a_203496583355_100000685570 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.69 Cc1ccc(c[n+]1[O-])O 271570a_203496583355_100000703231 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.69 Cc1ccc(nc1N)O 271570a_203496583355_100009857032 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.69 Cc1ccc(nc1O)N 271570a_203496583355_100000126722 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.69 Cc1cnc(c(c1)F)O 271570a_203496583355_100009819633 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.69 Cc1cnc(c(c1)N)O 271570a_203496583355_100000733613 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.69 Cc1cnc(c(c1)O)C 271570a_203496583355_100009817436 [0,1,0,0,0,1|1,0,0]=3 760 B9R1.69 Cc1cnc(c(c1)O)Cl 271570a_203496583355_100010210167 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.69 Cc1cnc(c(c1)O)F 271570a_203496583355_100000049784 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.69 Cc1cnc(c(c1)O)N 271570a_203496583355_100000049664 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.69 Cc1cnc(c(n1)O)C 271570a_203496583355_100000211308 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.69 Cc1cnc(cc1C)O 271570a_203496583355_100009850809 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.69 Cc1cnc(cc1F)O 271570a_203496583355_100009841206 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.69 Cc1cnc(cc1N)O 271570a_203496583355_100000690170 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.69 Cc1cnc(cc1O)Br 271570a_203496583355_100010067628 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.69 Cc1cnc(cc1O)Cl 271570a_203496583355_100010068021 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.69 Cc1cnc(cc1O)F 271570a_203496583355_100000049870 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.69 Cc1cnc(cc1O)N 271570a_203496583355_100009819938 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.69 Cc1ncc(cc1F)O 271570a_203496583355_100009845756 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.69 Cc1ncc(cc1N)O 271570a_203496583355_100011999542 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.69 Cc1ncc(cc1O)Br 271570a_203496583355_200010090566 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.69 Cc1ncc(cc1O)F 271570a_203496583355_100009860710 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.69 Cc1ncc(cc1O)N 271570a_203496583355_100011998591 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,1,0,0,0,1|1,0,1]=4 783 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,1,0,0,0,1|1,0,1]=4 784 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,1,0,0,0,1|1,0,1]=4 785 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,1,0,0,0,1|1,0,1]=4 786 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,1,0,0,0,1|1,0,1]=4 787 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,1,0,0,0,1|1,0,1]=4 788 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,1,0,0,0,1|1,0,1]=4 789 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,1,0,0,0,1|1,0,1]=4 790 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,0,0,1|1,0,0]=3 804 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,0,0,1|1,0,0]=3 805 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,0,0,1|1,0,0]=3 813 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,0,0,1|1,0,0]=3 816 B9R1.2 CNc1ccnc(n1)N 27a_100102657272_100000055538 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,1,0,0,0,1|1,0,0]=3 820 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,0,0,1|1,0,0]=3 824 B9R1.2 CNc1nccc(n1)N 27a_100102657272_100000757536 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,0,0,1|1,0,0]=3 834 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,0,0,1|1,0,0]=3 835 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,0,0,1|1,0,0]=3 846 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 854 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,1,0,0,0,1|1,0,0]=3 855 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,0,0,1|1,0,0]=3 864 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,0,0,1|1,0,0]=3 865 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,0,0,1|1,0,0]=3 885 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,0,0,1|1,0,0]=3 886 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,0,0,1|1,0,0]=3 899 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,0,0,1|1,0,0]=3 900 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,1,0,0,0,1|1,0,0]=3 910 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,1,0,0,0,1|1,0,0]=3 911 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,1,0,0,0,1|1,0,0]=3 919 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,1,0,0,0,1|1,0,0]=3 920 B9R1.2 CSc1ccnc(n1)Cl 62a_100010154678_200000210301 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.2 CSc1ccnc(n1)Cl 62a_200000210301_100010154678 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.2 CSc1ccnc(n1)N 62a_100000055538_200000210301 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.2 CSc1ccnc(n1)N 62a_200000210301_100000055538 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,1,0,0,0,1|1,0,0]=3 928 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,1,0,0,0,1|1,0,0]=3 929 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,1,0,0,0,1|1,0,0]=3 939 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,1,0,0,0,1|1,0,0]=3 940 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,1,0,0,0,1|1,0,0]=3 948 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,1,0,0,0,1|1,0,0]=3 949 B9R1.2 CSc1nccc(n1)N 62a_100000757536_200000210301 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.2 CSc1nccc(n1)N 62a_200000210301_100000757536 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,0,0,1|1,0,0]=3 956 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,1,0,0,0,1|1,0,0]=3 957 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,1,0,0,0,1|1,0,0]=3 958 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,0,0,1|1,0,0]=3 961 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,0,0,1|1,0,0]=3 962 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,0,0,1|1,0,0]=3 963 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,0,0,1|1,0,0]=3 964 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,0,0,1|1,0,0]=3 965 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,0,0,1|1,0,0]=3 966 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,0,0,1|1,0,0]=3 967 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,0,0,1|1,0,0]=3 968 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,0,0,1|1,0,0]=3 969 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,0,0,1|1,0,0]=3 970 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,1,0,0,0,1|1,0,0]=3 971 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,1,0,0,0,1|1,0,0]=3 972 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 973 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,1,0,0,0,1|1,0,0]=3 974 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,1,0,0,0,1|1,0,0]=3 975 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,1,0,0,0,1|1,0,0]=3 976 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,1,0,0,0,1|1,0,0]=3 977 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,1,0,0,0,1|1,0,0]=3 978 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,1,0,0,0,1|1,0,0]=3 982 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,1,0,0,0,1|1,0,0]=3 983 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,1,0,0,0,1|2,0,0]=4 1048 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_100010154678_200025704644 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_200025704644_100010154678 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_100000055538_200025704644 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_200025704644_100000055538 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [0,1,0,0,0,1|2,0,0]=4 1079 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_100000757536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_200025704644_100000757536 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.3 Cc1cccc(c1C)O 271570a_203496583355_100011214922 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.3 Cc1cccc(c1Cl)O 271570a_203496583355_200012352035 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.3 Cc1cccc(c1F)O 271570a_203496583355_100000717567 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.3 Cc1cccc(c1N)O 271570a_203496583355_100011834072 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.3 Cc1cccc(c1O)C 271570a_203496583355_100000033847 [0,1,0,0,0,1|1,0,0]=3 1088 B9R1.3 Cc1cccc(c1O)Cl 271570a_203496583355_100000043165 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.3 Cc1cccc(c1O)F 271570a_203496583355_100012349962 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.3 Cc1cccc(c1O)N 271570a_203496583355_100000684715 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100000686692 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.3 Cc1cccc(c1O)O 271570a_203496583355_100009817157 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.3 Cc1ccnc(c1C)O 271570a_203496583355_100009847204 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.3 Cc1ccnc(c1F)O 271570a_203496583355_100009817629 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.3 Cc1ccnc(c1N)O 271570a_203496583355_100000763560 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.3 Cc1ccnc(c1O)C 271570a_203496583355_100012000501 [0,1,0,0,0,1|1,0,0]=3 1097 B9R1.3 Cc1ccnc(c1O)F 271570a_203496583355_100009818256 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.3 Cc1ccnc(c1O)N 271570a_203496583355_100011998619 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100000696282 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.3 Cc1ccnc(c1O)O 271570a_203496583355_100012000493 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.3 Cc1cncc(c1C)O 271570a_203496583355_100009864703 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.3 Cc1cncc(c1N)O 271570a_203496583355_100009818025 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.3 Cc1cncc(c1O)C 271570a_203496583355_100009817138 [0,1,0,0,0,1|1,0,0]=3 1104 B9R1.3 Cc1nccc(c1C)O 271570a_203496583355_100009846815 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.3 Cc1nccc(c1Cl)O 271570a_203496583355_100000698670 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.3 Cc1nccc(c1F)O 271570a_203496583355_100009849794 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.3 Cc1nccc(c1N)O 271570a_203496583355_100009885578 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.3 Cc1nccc(c1O)N 271570a_203496583355_100010243816 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.3 Cc1ncnc(c1O)C 271570a_203496583355_100009820708 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.34 Cc1cc(cc(c1)Cl)O 271570a_203496583355_100010172791 [0,1,0,0,0,1|2,0,0]=4 1112 B9R1.34 Cc1cc(cc(c1)F)O 271570a_203496583355_100011356977 [0,1,0,0,0,1|2,0,0]=4 1113 B9R1.34 Cc1cc(cc(c1)O)C 271570a_203496583355_100011215608 [0,1,0,0,0,1|1,0,0]=3 1114 B9R1.34 Cc1cc(cc(c1)O)N 271570a_203496583355_100000695972 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.34 Cc1cc(cc(c1)O)O 271570a_203496583355_100011999630 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.34 Cc1cc(cc(n1)C)O 271570a_203496583355_100009816552 [0,1,0,0,0,1|1,0,0]=3 1117 B9R1.34 Cc1cc(cc(n1)F)O 271570a_203496583355_100010006595 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.34 Cc1cc(cc(n1)N)O 271570a_203496583355_100000076705 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.34 Cc1cc(nc(c1)F)O 271570a_203496583355_100009819601 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.34 Cc1cc(nc(c1)O)C 271570a_203496583355_100000069240 [0,1,0,0,0,1|1,0,0]=3 1121 B9R1.34 Cc1cc(nc(c1)O)N 271570a_203496583355_100009819863 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.34 Cc1cc(nc(n1)C)O 271570a_203496583355_100000736142 [0,1,0,0,0,1|1,0,0]=3 1123 B9R1.34 Cc1cc(nc(n1)N)O 271570a_203496583355_100000183061 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.34 Cc1cc(nc(n1)O)C 271570a_203496583355_100000736147 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.34 Cc1cc(nc(n1)O)N 271570a_203496583355_100000687285 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.34 Cc1nc(cc(n1)O)N 271570a_203496583355_100012178882 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.34 Cc1nc(cc(n1)O)O 271570a_203496583355_106741647437 [0,1,0,0,0,1|2,0,0]=4 1128 B9R1.34 Cc1nc(nc(n1)O)C 271570a_203496583355_100015468570 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,2,0,0,0,0|0,1,1]=4 1130 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,2,0,0,0,0|2,0,0]=4 1132 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,2,0,0,0,0|1,1,0]=4 1133 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,2,0,0,0,0|0,1,0]=3 1134 B9R1.7 CC=Cc1ccn(n1)C 271570a_100016259895_100000752436 [0,2,0,0,0,0|2,0,0]=4 1135 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [0,2,0,0,0,0|1,1,0]=4 1136 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [0,2,0,0,0,0|2,0,0]=4 1137 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [0,2,0,0,0,0|2,0,0]=4 1138 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [0,2,0,0,0,0|2,0,0]=4 1139 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [0,2,0,0,0,0|2,0,0]=4 1140 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [0,2,0,0,0,0|1,1,0]=4 1141 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,2,0,0,0,0|1,1,0]=4 1143 B9R1.7 CCNc1nnc(o1)C 27a_100015525214_100000708914 [0,2,0,0,0,0|2,0,0]=4 1144 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [0,2,0,0,0,0|2,0,0]=4 1146 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [0,2,0,0,0,0|2,0,0]=4 1147 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,2,0,0,0,0|2,0,0]=4 1149 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,2,0,0,0,0|1,1,0]=4 1150 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,2,0,0,0,0|1,1,0]=4 1151 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,2,0,0,0,0|0,1,0]=3 1152 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,2,0,0,0,0|0,1,0]=3 1153 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [0,2,0,0,0,0|2,0,0]=4 1154 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [0,2,0,0,0,0|2,0,0]=4 1155 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,2,0,0,0,0|1,1,0]=4 1156 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,2,0,0,0,0|1,1,0]=4 1157 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [0,2,0,0,0,0|2,0,0]=4 1159 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [0,2,0,0,0,0|2,0,0]=4 1160 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,2,0,0,0,0|2,0,0]=4 1164 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,2,0,0,0,0|1,1,0]=4 1166 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,2,0,0,0,0|1,1,0]=4 1167 B9R1.7 CCSc1nnc(o1)C 62a_100000210202_100000708914 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,2,0,0,0,0|2,0,0]=4 1170 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,2,0,0,0,0|1,0,0]=3 1174 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,2,0,0,0,0|1,0,0]=3 1175 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,2,0,0,0,0|0,0,0]=2 1177 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,2,0,0,0,0|0,0,0]=2 1178 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,2,0,0,0,0|0,0,0]=2 1179 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,2,0,0,0,0|1,0,0]=3 1180 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,2,0,0,0,0|1,0,0]=3 1181 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,2,0,0,0,0|1,0,0]=3 1182 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,2,0,0,0,0|1,0,0]=3 1183 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,2,0,0,0,0|1,1,0]=4 1184 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,2,0,0,0,0|1,1,0]=4 1185 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,2,0,0,0,0|1,1,0]=4 1186 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,2,0,0,0,0|1,1,0]=4 1187 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,2,0,0,0,0|1,1,0]=4 1188 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,2,0,0,0,0|0,1,0]=3 1189 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,2,0,0,0,0|0,1,0]=3 1190 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,2,0,0,0,0|0,1,0]=3 1191 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,2,0,0,0,0|1,1,0]=4 1192 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,2,0,0,0,0|1,1,0]=4 1193 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,2,0,0,0,0|1,1,0]=4 1194 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,2,0,0,0,0|1,1,0]=4 1195 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,2,0,0,0,0|1,1,0]=4 1196 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,2,0,0,0,0|1,1,0]=4 1197 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [0,2,0,0,0,0|2,0,0]=4 1200 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [0,2,0,0,0,0|2,0,0]=4 1201 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [0,2,0,0,0,0|2,0,0]=4 1202 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [0,2,0,0,0,0|2,0,0]=4 1203 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [0,2,0,0,0,0|2,0,0]=4 1204 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,2,0,0,0,0|1,0,0]=3 1205 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,2,0,0,0,0|1,1,0]=4 1207 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,2,0,0,0,0|1,1,0]=4 1208 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,2,0,0,0,0|1,1,0]=4 1209 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,2,0,0,0,0|1,1,0]=4 1210 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,2,0,0,0,0|1,1,0]=4 1211 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,2,0,0,0,0|1,1,0]=4 1212 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,2,0,0,0,0|2,0,0]=4 1216 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [0,2,0,0,0,0|2,0,0]=4 1219 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [0,2,0,0,0,0|2,0,0]=4 1223 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [0,2,0,0,0,0|2,0,0]=4 1224 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,2,0,0,0,0|2,0,0]=4 1226 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1228 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,2,0,0,0,0|1,0,0]=3 1229 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,2,0,0,0,0|1,1,0]=4 1230 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,2,0,0,0,0|1,1,0]=4 1231 B9R1.7 CNCc1nnc(o1)C 2230a_106832991635_100000181450 [0,2,0,0,0,0|2,0,0]=4 1232 B9R1.7 CNCc1nnc(o1)C 2230a_200000236979_200000210301 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.7 CNCc1nnc(o1)C 34a_200000236979_200000210301 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.7 CNCc1nnc(o1)C 7a_106832991635_100000181450 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,2,0,0,0,0|2,0,0]=4 1237 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,2,0,0,0,0|1,0,0]=3 1238 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,2,0,0,0,0|1,0,0]=3 1239 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,2,0,0,0,0|0,0,0]=2 1240 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,2,0,0,0,0|0,0,0]=2 1241 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,2,0,0,0,0|1,1,0]=4 1242 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,2,0,0,0,0|0,1,0]=3 1243 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,2,0,0,0,0|1,1,0]=4 1244 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,2,0,0,0,0|1,1,0]=4 1247 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,2,0,0,0,0|1,1,0]=4 1248 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [0,2,0,0,0,0|2,0,0]=4 1249 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [0,2,0,0,0,0|2,0,0]=4 1251 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,2,0,0,0,0|1,1,0]=4 1253 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,2,0,0,0,0|1,1,0]=4 1254 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,2,0,0,0,0|1,1,0]=4 1255 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,2,0,0,0,0|1,1,0]=4 1256 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [0,2,0,0,0,0|2,0,0]=4 1258 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,2,0,0,0,0|1,1,0]=4 1259 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,2,0,0,0,0|1,1,0]=4 1260 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100015361967_100161115468 [0,2,0,0,0,0|2,0,0]=4 1265 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100161115468_100015361967 [0,2,0,0,0,0|2,0,0]=4 1266 B9R1.7 Cc1cc(cs1)SCF 62a_100000759034_100015361967 [0,2,0,0,0,0|2,0,0]=4 1267 B9R1.7 Cc1cc(cs1)SCF 62a_100015361967_100000759034 [0,2,0,0,0,0|2,0,0]=4 1268 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,2,0,0,0,0|0,0,0]=2 1269 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,2,0,0,0,0|0,0,0]=2 1270 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,2,0,0,0,0|0,0,0]=2 1271 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,2,0,0,0,0|0,1,0]=3 1272 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,2,0,0,0,0|0,1,0]=3 1273 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,2,0,0,0,0|0,1,0]=3 1274 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,2,0,0,0,0|0,1,0]=3 1275 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1276 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,2,0,0,0,0|1,0,0]=3 1277 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [0,2,0,0,0,0|1,1,0]=4 1278 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [0,2,0,0,0,0|1,1,0]=4 1279 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1280 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1281 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1282 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,2,0,0,0,0|2,0,0]=4 1283 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,2,0,0,0,0|2,0,0]=4 1284 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,2,0,0,0,0|2,0,0]=4 1285 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,2,0,0,0,0|2,0,0]=4 1286 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100009814057_100015361967 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100015361967_100009814057 [0,2,0,0,0,0|2,0,0]=4 1290 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [0,2,0,0,0,0|2,0,0]=4 1291 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [0,2,0,0,0,0|2,0,0]=4 1292 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [0,2,0,0,0,0|2,0,0]=4 1293 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,2,0,0,0,0|2,0,0]=4 1295 B9R1.7 Cc1nc(cs1)SCF 62a_100011934587_100015361967 [0,2,0,0,0,0|2,0,0]=4 1296 B9R1.7 Cc1nc(cs1)SCF 62a_100015361967_100011934587 [0,2,0,0,0,0|2,0,0]=4 1297 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,2,0,0,0,0|1,1,0]=4 1298 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,2,0,0,0,0|1,1,0]=4 1299 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,2,0,0,0,0|1,1,0]=4 1300 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,2,0,0,0,0|1,1,0]=4 1301 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,2,0,0,0,0|1,1,0]=4 1302 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,2,0,0,0,0|1,1,0]=4 1303 B9R1.7 Cc1nnc(o1)CN[13CH3] 2230a_200000236979_200025704644 [0,2,0,0,0,0|2,0,0]=4 1304 B9R1.7 Cc1nnc(o1)CN[13CH3] 34a_200000236979_200025704644 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.7 Cc1nnc(o1)SCF 62a_100015361967_100000708914 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [0,2,0,0,0,0|2,0,0]=4 1313 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [0,2,0,0,0,0|2,0,0]=4 1314 B9R1.7 Cn1ccc(n1)OCF 34a_100012642153_100015361967 [0,2,0,0,0,0|2,0,0]=4 1315 B9R1.7 Cn1ccc(n1)SCF 62a_100000752436_100015361967 [0,2,0,0,0,0|2,0,0]=4 1316 B9R1.7 Cn1ccc(n1)SCF 62a_100015361967_100000752436 [0,2,0,0,0,0|2,0,0]=4 1317 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,2,0,0,0,0|1,1,0]=4 1318 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,2,0,0,0,0|1,1,0]=4 1319 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,2,0,0,0,0|1,1,0]=4 1320 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,2,0,0,0,0|1,0,0]=3 1321 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,2,0,0,0,0|1,1,0]=4 1322 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,2,0,0,0,0|1,0,0]=3 1323 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,2,0,0,0,0|1,0,0]=3 1324 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,2,0,0,0,0|1,1,0]=4 1325 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,2,0,0,0,0|1,1,0]=4 1326 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,2,0,0,0,0|1,1,0]=4 1327 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,2,0,0,0,0|1,1,0]=4 1328 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,2,0,0,0,0|0,0,2]=4 1329 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,2,0,0,0,0|0,0,2]=4 1330 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,2,0,0,0,0|0,0,1]=3 1331 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,2,0,0,0,0|0,0,1]=3 1332 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,2,0,0,0,0|0,1,1]=4 1333 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,2,0,0,0,0|0,1,1]=4 1334 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,2,0,0,0,0|0,1,1]=4 1335 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,2,0,0,0,0|2,0,0]=4 1339 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,2,0,0,0,0|0,1,0]=3 1340 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,2,0,0,0,0|0,1,0]=3 1341 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,2,0,0,0,0|0,1,0]=3 1342 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,2,0,0,0,0|0,1,0]=3 1343 B9R1.21 CCn1ccc(n1)SC 62a_100012350556_200000210301 [0,2,0,0,0,0|2,0,0]=4 1344 B9R1.21 CCn1ccc(n1)SC 62a_200000210301_100012350556 [0,2,0,0,0,0|2,0,0]=4 1345 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_100012350556_200025704644 [0,2,0,0,0,0|2,0,0]=4 1346 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_200025704644_100012350556 [0,2,0,0,0,0|2,0,0]=4 1347 B9R1.21 COc1nc(cs1)SC 62a_100000727839_200000210301 [0,2,0,0,0,0|2,0,0]=4 1348 B9R1.21 COc1nc(cs1)SC 62a_200000210301_100000727839 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.21 COc1nc(cs1)S[13CH3] 62a_100000727839_200025704644 [0,2,0,0,0,0|2,0,0]=4 1350 B9R1.21 COc1nc(cs1)S[13CH3] 62a_200025704644_100000727839 [0,2,0,0,0,0|2,0,0]=4 1351 B9R1.21 COc1ncc(s1)SC 62a_100000729428_200000210301 [0,2,0,0,0,0|1,1,0]=4 1352 B9R1.21 COc1ncc(s1)SC 62a_200000210301_100000729428 [0,2,0,0,0,0|1,1,0]=4 1353 B9R1.21 COc1ncc(s1)S[13CH3] 62a_100000729428_200025704644 [0,2,0,0,0,0|1,1,0]=4 1354 B9R1.21 COc1ncc(s1)S[13CH3] 62a_200025704644_100000729428 [0,2,0,0,0,0|1,1,0]=4 1355 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [0,2,0,0,0,0|2,0,0]=4 1357 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,2,0,0,0,0|1,0,1]=4 1358 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,2,0,0,0,0|0,0,1]=3 1359 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,2,0,0,0,0|0,0,1]=3 1360 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,2,0,0,0,0|0,0,0]=2 1361 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,2,0,0,0,0|0,0,0]=2 1362 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,2,0,0,0,0|0,0,0]=2 1363 B9R1.21 CSc1ccc(s1)C#N 62a_200000210301_100000737243 [0,2,0,0,0,0|0,1,1]=4 1364 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,2,0,0,0,0|0,1,1]=4 1365 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,2,0,0,0,0|0,1,1]=4 1366 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,2,0,0,0,0|0,1,0]=3 1367 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,2,0,0,0,0|0,1,0]=3 1368 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,2,0,0,0,0|0,1,0]=3 1369 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,2,0,0,0,0|0,1,0]=3 1370 B9R1.21 CSc1cnc(s1)CN 62a_100016991807_200000210301 [0,2,0,0,0,0|1,1,0]=4 1371 B9R1.21 CSc1cnc(s1)CN 62a_200000210301_100016991807 [0,2,0,0,0,0|1,1,0]=4 1372 B9R1.21 CSc1cnc(s1)CO 62a_100000696694_200000210301 [0,2,0,0,0,0|1,1,0]=4 1373 B9R1.21 CSc1cnc(s1)CO 62a_200000210301_100000696694 [0,2,0,0,0,0|1,1,0]=4 1374 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [0,2,0,0,0,0|2,0,0]=4 1376 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.21 CSc1csc(n1)CO 62a_100012000107_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.21 CSc1csc(n1)CO 62a_200000210301_100012000107 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.21 CSc1csc(n1)SC 62a_100000732701_200000210301 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.21 CSc1csc(n1)SC 62a_200000210301_100000732701 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [0,2,0,0,0,0|2,0,0]=4 1386 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_100000732701_200025704644 [0,2,0,0,0,0|2,0,0]=4 1387 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_200025704644_100000732701 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.21 CSc1ncc(s1)CN 62a_100000726991_200000210301 [0,2,0,0,0,0|1,1,0]=4 1389 B9R1.21 CSc1ncc(s1)CN 62a_200000210301_100000726991 [0,2,0,0,0,0|1,1,0]=4 1390 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,2,0,0,0,0|1,1,0]=4 1391 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,2,0,0,0,0|1,1,0]=4 1392 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,2,0,0,0,0|1,0,1]=4 1393 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,2,0,0,0,0|0,0,1]=3 1394 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,2,0,0,0,0|0,0,1]=3 1395 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,2,0,0,0,0|0,0,0]=2 1396 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,2,0,0,0,0|0,0,0]=2 1397 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,2,0,0,0,0|0,0,0]=2 1398 B9R1.21 [13CH3]Sc1ccc(s1)C#N 62a_200025704644_100000737243 [0,2,0,0,0,0|0,1,1]=4 1399 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,2,0,0,0,0|0,1,1]=4 1400 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,2,0,0,0,0|0,1,1]=4 1401 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,2,0,0,0,0|0,1,0]=3 1402 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,2,0,0,0,0|0,1,0]=3 1403 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,2,0,0,0,0|0,1,0]=3 1404 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,2,0,0,0,0|0,1,0]=3 1405 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_100016991807_200025704644 [0,2,0,0,0,0|1,1,0]=4 1406 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_200025704644_100016991807 [0,2,0,0,0,0|1,1,0]=4 1407 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_100000696694_200025704644 [0,2,0,0,0,0|1,1,0]=4 1408 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_200025704644_100000696694 [0,2,0,0,0,0|1,1,0]=4 1409 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1410 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [0,2,0,0,0,0|2,0,0]=4 1411 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,2,0,0,0,0|2,0,0]=4 1412 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,2,0,0,0,0|2,0,0]=4 1413 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_100012000107_200025704644 [0,2,0,0,0,0|2,0,0]=4 1414 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_200025704644_100012000107 [0,2,0,0,0,0|2,0,0]=4 1415 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [0,2,0,0,0,0|2,0,0]=4 1416 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_100000726991_200025704644 [0,2,0,0,0,0|1,1,0]=4 1418 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_200025704644_100000726991 [0,2,0,0,0,0|1,1,0]=4 1419 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,2,0,0,0,0|1,1,0]=4 1420 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,2,0,0,0,0|1,1,0]=4 1421 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [0,2,0,0,0,0|2,0,0]=4 1422 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,2,0,0,0,0|0,1,0]=3 1423 B9R1.22 C=Cc1cn(nc1C)C 271570a_100011290941_100011996311 [0,2,0,0,0,0|2,0,0]=4 1424 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [0,2,0,0,0,0|1,1,0]=4 1425 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,2,0,0,0,0|0,1,1]=4 1426 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.22 CCc1nn(cc1O)C 271570a_203496583355_100012396458 [0,2,0,0,0,0|2,0,0]=4 1428 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.22 COc1nn(cc1O)C 271570a_203496583355_100015475556 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,2,0,0,0,0|2,0,0]=4 1431 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,2,0,0,0,0|2,0,0]=4 1432 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [0,2,0,0,0,0|0,1,0]=3 1433 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [0,2,0,0,0,0|0,1,0]=3 1434 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1435 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [0,2,0,0,0,0|2,0,0]=4 1437 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,2,0,0,0,0|2,0,0]=4 1439 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,2,0,0,0,0|2,0,0]=4 1440 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [0,2,0,0,0,0|1,1,0]=4 1441 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [0,2,0,0,0,0|1,1,0]=4 1442 B9R1.22 CSc1nn(cc1C)C 62a_100011072604_200000210301 [0,2,0,0,0,0|2,0,0]=4 1443 B9R1.22 CSc1nn(cc1C)C 62a_200000210301_100011072604 [0,2,0,0,0,0|2,0,0]=4 1444 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|0,1,0]=3 1445 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|0,1,0]=3 1446 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [0,2,0,0,0,0|1,1,0]=4 1447 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [0,2,0,0,0,0|1,1,0]=4 1448 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [0,2,0,0,0,0|0,1,0]=3 1449 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [0,2,0,0,0,0|0,1,0]=3 1450 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,2,0,0,0,0|0,1,1]=4 1451 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|0,1,0]=3 1452 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|0,1,0]=3 1453 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1454 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,2,0,0,0,0|2,0,0]=4 1456 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_100011072604_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_200025704644_100011072604 [0,2,0,0,0,0|2,0,0]=4 1460 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [0,2,0,0,0,0|2,0,0]=4 1461 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [0,2,0,0,0,0|2,0,0]=4 1462 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [0,2,0,0,0,0|1,1,0]=4 1463 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [0,2,0,0,0,0|1,1,0]=4 1464 B9R1.22 Cc1nc(c(s1)O)CO 271570a_203496583355_100011103066 [0,2,0,0,0,0|2,0,0]=4 1465 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [0,2,0,0,0,0|1,1,0]=4 1466 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [0,2,0,0,0,0|1,1,0]=4 1467 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,2,0,0,0,0|2,0,0]=4 1469 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,2,0,0,0,0|2,0,0]=4 1470 B9R1.22 Cn1cc(c(n1)CO)O 271570a_203496583355_100009816719 [0,2,0,0,0,0|2,0,0]=4 1471 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,2,0,0,0,0|0,1,1]=4 1472 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,2,0,0,0,0|1,0,1]=4 1473 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,2,0,0,0,0|1,0,1]=4 1474 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,2,0,0,0,0|2,0,0]=4 1475 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,2,0,0,0,0|1,0,1]=4 1476 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,2,0,0,0,0|1,1,0]=4 1477 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,2,0,0,0,0|1,0,1]=4 1478 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,2,0,0,0,0|1,0,1]=4 1479 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|0,1,0]=3 1480 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|0,1,0]=3 1481 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.23 CSc1cc(n(n1)C)N 62a_100000734454_200000210301 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.23 CSc1cc(n(n1)C)N 62a_200000210301_100000734454 [0,2,0,0,0,0|2,0,0]=4 1485 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,2,0,0,0,0|1,1,0]=4 1488 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,2,0,0,0,0|1,1,0]=4 1489 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [0,2,0,0,0,0|2,0,0]=4 1490 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [0,2,0,0,0,0|2,0,0]=4 1491 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|0,1,0]=3 1492 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|0,1,0]=3 1493 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,2,0,0,0,0|2,0,0]=4 1494 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,2,0,0,0,0|2,0,0]=4 1495 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,2,0,0,0,0|1,1,0]=4 1496 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,2,0,0,0,0|1,1,0]=4 1497 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,2,0,0,0,0|0,1,1]=4 1498 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|0,1,0]=3 1499 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_100000734454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1500 B9R1.23 Cn1nc(cc1N)S[13CH3] 62a_200025704644_100000734454 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,2,0,0,0,0|2,0,0]=4 1502 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,2,0,0,0,0|2,0,0]=4 1503 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,2,0,0,0,0|1,1,0]=4 1504 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,2,0,0,0,0|0,1,0]=3 1505 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,2,0,0,0,0|1,1,0]=4 1507 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,2,0,0,0,0|2,0,0]=4 1508 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,2,0,0,0,0|2,0,0]=4 1509 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,2,0,0,0,0|2,0,0]=4 1510 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,2,0,0,0,0|2,0,0]=4 1511 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,2,0,0,0,0|1,1,0]=4 1512 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [0,2,0,0,0,0|2,0,0]=4 1513 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,2,0,0,0,0|2,0,0]=4 1514 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,2,0,0,0,0|1,0,0]=3 1515 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,2,0,0,0,0|1,1,0]=4 1516 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,2,0,0,0,0|1,1,0]=4 1517 B9R1.35 Cc1nnc(o1)N(C)C 27a_100102631434_100000708914 [0,2,0,0,0,0|2,0,0]=4 1518 B9R1.35 Oc1ccc(o1)C(F)F 271570a_203496583355_100010688628 [0,2,0,0,0,0|1,0,0]=3 1519 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,2,0,0,0,0|1,1,0]=4 1520 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,2,0,0,0,0|2,0,0]=4 1521 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,2,0,0,0,0|2,0,0]=4 1522 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [0,2,0,0,0,0|2,0,0]=4 1523 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [0,2,0,0,0,0|2,0,0]=4 1524 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1525 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1527 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,2,0,0,0,0|2,0,0]=4 1528 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,2,0,0,0,0|2,0,0]=4 1529 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,2,0,0,0,0|2,0,0]=4 1530 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [0,2,0,0,0,0|2,0,0]=4 1531 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [0,2,0,0,0,0|2,0,0]=4 1532 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [0,2,0,0,0,0|2,0,0]=4 1533 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|1,0,0]=3 1534 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|1,0,0]=3