0 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,0,0,0,0,0|0,0,2]=2 10 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 C=C(C)c1ncn(n1)C 271570a_100000694244_100009819955 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 CC(C)c1cn(nn1)C 274090a_200000210301_200011470540 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 CC(C)c1cn(nn1)[13CH3] 274090a_200025704644_200011470540 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 CC(C)c1noc(n1)O 270196a_100000210513_100015183105 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 CN(C)c1nc(cs1)O 271570a_203496583355_100012356714 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.35 CN(C)c1nc(n[nH]1)O 271570a_203496583355_106454656773 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 Cc1cn(nn1)C(C)C 274090a_100000210206_200000242740 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 Cc1nc(no1)N(C)C 27a_100102631434_100012003639 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 Cc1nnc(o1)N(C)C 27a_100102631434_100000708914 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.35 Cc1nnc(s1)N(C)C 27a_100102631434_100000686958 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 Cc1noc(n1)C(C)C 270196a_100000212224_100000210198 [0,0,0,0,0,0|1,1,0]=2 36 B9R1.35 Cc1noc(n1)C(C)F 270196a_100000212224_100000062450 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.35 Cc1noc(n1)C(F)F 270196a_100000212224_100000210393 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.35 Cc1noc(n1)C(O)O 270196a_100000212224_100000233687 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.35 Cc1noc(n1)[C@@H](C)O 270196a_100000212224_100000717761 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.35 Cc1noc(n1)[C@H](C)O 270196a_100000212224_217856618621 [0,0,0,0,0,0|2,1,0]=3 41 B9R1.35 Cc1nsc(n1)N(C)C 27a_100102631434_100000709739 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 Oc1csc(c1)C(F)F 271570a_203496583355_100010176050 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [1,0,0,0,0,0|1,0,2]=4 46 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [1,0,0,0,0,0|0,0,2]=3 47 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [1,0,0,0,0,0|1,0,2]=4 48 B8R1.1 C=Cc1nc(ns1)C 271570a_100011290941_100000709739 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,0,0,0,0,0|1,1,0]=3 52 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.1 CSc1nc(ns1)O 271570a_203496583355_200010005773 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 CSc1ncn(n1)C 62a_100009819955_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 CSc1ncn(n1)C 62a_200000210301_100009819955 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [1,0,0,0,0,0|1,0,0]=2 105 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [1,0,0,0,0,0|2,1,0]=4 115 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_100009819955_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_200025704644_100009819955 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.1 N#Cc1nc(cs1)O 271570a_203496583355_100009819034 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|1,0,2]=4 131 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,0,0,0,0,0|1,0,2]=4 132 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [1,0,0,0,0,0|0,1,2]=4 133 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|0,0,2]=3 134 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [1,0,0,0,0,0|1,0,2]=4 135 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [1,0,0,0,0,0|1,0,2]=4 136 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [1,0,0,0,0,0|2,0,0]=3 138 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.14 C/C=C(\C)/c1nc(no1)C 270196a_100000212224_100020587367 [0,1,0,0,0,0|1,1,1]=4 140 B10R1.14 C=CC(C)c1nc(no1)C 270196a_100000212224_100011216780 [0,1,0,0,0,0|1,1,1]=4 141 B10R1.14 C=CC(C)c1noc(n1)C 270196a_100000759288_100000070787 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 2230a_100159270200_200025704644 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.14 CC(N[13CH3])c1cc(cs1)Br 34a_100159270200_200025704644 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.14 CC(N[13CH3])c1ccc(s1)Br 2230a_100102723530_200025704644 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.14 CC(N[13CH3])c1ccc(s1)Cl 2230a_100102723459_200025704644 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.14 CC(O[13CH3])c1ccn(n1)C 34a_100012178569_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.14 CC=C(C)c1noc(n1)C 270196a_100000685141_100000070787 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.14 CCC(C)c1nc(no1)C 270196a_100000212224_100011192722 [0,1,0,0,0,0|1,1,0]=3 149 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.14 CCC(C)c1noc(n1)O 270196a_100000752268_100015183105 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 CCC(O)c1nc(no1)C 270196a_100000212224_100011196387 [0,1,0,0,0,0|2,1,0]=4 152 B10R1.14 CNC(C)c1c[nH]c(c1)C 269862a_106832991636_100000133040 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.14 CNC(C)c1cc(cs1)Br 2230a_100159270200_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.14 CNC(C)c1cc(cs1)Br 269862a_106832991636_100000718618 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.14 CNC(C)c1cc(cs1)Br 34a_100159270200_200000210301 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.14 CNC(C)c1cc(cs1)Cl 269862a_106832991636_100000061699 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.14 CNC(C)c1cc(n[nH]1)C 269862a_106832991636_100000104970 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 CNC(C)c1cc(on1)C 269862a_106832991636_100000723125 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.14 CNC(C)c1ccc([nH]1)Br 269862a_106832991636_200010494458 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.14 CNC(C)c1ccc(s1)Br 2230a_100102723530_200000210301 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 CNC(C)c1ccc(s1)Br 269862a_106832991636_100000183331 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.14 CNC(C)c1ccc(s1)Cl 2230a_100102723459_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 CNC(C)c1ccc(s1)Cl 269862a_106832991636_100000182421 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 CNC(C)c1ccc(s1)I 269862a_106832991636_200000034408 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 CNC(C)c1ccn(c1)C 269862a_106832991636_100000732535 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 CNC(C)c1csc(n1)C 2230a_100000753491_200000210301 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.14 CNC(C)c1csc(n1)C 269862a_106832991636_100000241968 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.14 CNC(C)c1nc(c[nH]1)C 2230a_103496583476_200000210301 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.14 CNC(C)c1nc(co1)C 270004a_106832991635_100009826828 [0,1,0,0,0,0|0,1,0]=2 173 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [0,1,0,0,0,0|0,0,0]=1 174 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [0,1,0,0,0,0|0,0,0]=1 175 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.14 CNC(C)c1nnc([nH]1)C 2230a_100000729279_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.14 COC(C)c1ccn(n1)C 34a_100012178569_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.14 COC(C)c1nc(no1)C 270196a_100000212224_100000743197 [0,1,0,0,0,0|1,1,0]=3 180 B10R1.14 COC(C)c1noc(n1)C 270196a_100000684522_100000070787 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.14 COC(C)c1noc(n1)O 270196a_100000684522_100015183105 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.14 CSC(C)c1nc(no1)C 270196a_100000212224_100000149566 [0,1,0,0,0,0|1,1,0]=3 183 B10R1.14 Cc1c[nH]c(n1)C(C)N[13CH3] 2230a_103496583476_200025704644 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [0,1,0,0,0,0|0,0,0]=1 185 B10R1.14 Cc1nc(cs1)C(C)N[13CH3] 2230a_100000753491_200025704644 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.14 Cc1nnc([nH]1)C(C)N[13CH3] 2230a_100000729279_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.14 Cc1noc(n1)C(C)C#N 270196a_100000212224_100000753662 [0,1,0,0,0,0|1,1,1]=4 188 B10R1.31 C=C(C)c1nc(cs1)C#N 271570a_100000694244_100009819631 [0,1,0,0,0,0|0,0,3]=4 189 B10R1.31 C=C(C)c1nc(cs1)C=O 271570a_100000694244_100009816748 [0,1,0,0,0,0|0,0,3]=4 190 B10R1.31 C=C(C)c1nc(cs1)CO 271570a_100000694244_100009816749 [0,1,0,0,0,0|0,0,2]=3 191 B10R1.31 C=Cc1ccn(n1)C(C)C 271570a_100011290941_100012351941 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.31 C=Cc1csc(c1)C(C)N 271570a_100011290941_100159270200 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.31 C=Cc1csc(n1)C(=O)C 271570a_100011290941_100010231720 [0,1,0,0,0,0|1,0,2]=4 194 B10R1.31 C=Cc1csc(n1)C(C)C 271570a_100011290941_200011934575 [0,1,0,0,0,0|0,0,1]=2 195 B10R1.31 C=Cc1csc(n1)N(C)C 271570a_100011290941_100012356714 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.31 CC(C)c1cnc(s1)S[13CH3] 62a_100000697854_200025704644 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.31 CC(C)c1cnc(s1)S[13CH3] 62a_200025704644_100000697854 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.31 CC(C)c1nc(cs1)S[13CH3] 62a_200011934575_200025704644 [0,1,0,0,0,0|0,0,0]=1 203 B10R1.31 CC(C)c1nc(cs1)S[13CH3] 62a_200025704644_200011934575 [0,1,0,0,0,0|0,0,0]=1 204 B10R1.31 CC(C)c1nc(no1)CF 270196a_200000032654_100000210198 [0,1,0,0,0,0|1,1,0]=3 205 B10R1.31 CC(C)c1nnc(s1)S[13CH3] 62a_100000687747_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.31 CC(C)c1nnc(s1)S[13CH3] 62a_200025704644_100000687747 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.31 CC(C)c1noc(n1)CO 270196a_100000210513_100000210174 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.31 CC(C)n1cc(cn1)S[13CH3] 62a_100012073297_200025704644 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.31 CC(C)n1cc(cn1)S[13CH3] 62a_200025704644_100012073297 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.31 CC(C)n1ccc(n1)O[13CH3] 34a_100013209193_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.31 CC(C)n1ccc(n1)S[13CH3] 62a_100012351941_200025704644 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.31 CC(C)n1ccc(n1)S[13CH3] 62a_200025704644_100012351941 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.31 CC(F)c1nc(no1)CF 270196a_200000032654_100000062450 [0,1,0,0,0,0|2,1,0]=4 214 B10R1.31 CC(N)c1cc(cs1)S[13CH3] 62a_100159270200_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.31 CC(N)c1cc(cs1)S[13CH3] 62a_200025704644_100159270200 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_100102723530_200025704644 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_200025704644_100102723530 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.31 CCc1nc(no1)C(C)C 270196a_100000210513_100000210414 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.31 CCc1nc(no1)N(C)C 27a_100102631434_100012003642 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.31 CCc1noc(n1)C(C)C 270196a_200000212204_100000210198 [0,1,0,0,0,0|1,1,0]=3 221 B10R1.31 CCc1noc(n1)C(C)F 270196a_200000212204_100000062450 [0,1,0,0,0,0|2,1,0]=4 222 B10R1.31 CCc1noc(n1)[C@@H](C)O 270196a_200000212204_100000717761 [0,1,0,0,0,0|2,1,0]=4 223 B10R1.31 CCc1noc(n1)[C@H](C)O 270196a_200000212204_217856618621 [0,1,0,0,0,0|2,1,0]=4 224 B10R1.31 CN(C)c1nc(cs1)C#N 27a_100102631434_100009819631 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.31 CN(C)c1nc(cs1)S[13CH3] 62a_100012356714_200025704644 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.31 CN(C)c1nc(cs1)S[13CH3] 62a_200025704644_100012356714 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.31 CN(C)c1nc(n[nH]1)S[13CH3] 62a_106454656773_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.31 CN(C)c1nc(n[nH]1)S[13CH3] 62a_200025704644_106454656773 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.31 CN(C)c1ncc(s1)S[13CH3] 62a_100012356744_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.31 CN(C)c1ncc(s1)S[13CH3] 62a_200025704644_100012356744 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.31 CNc1csc(n1)C(C)C 27a_100102657272_200011934575 [0,1,0,0,0,0|0,0,0]=1 232 B10R1.31 CNc1ncc(s1)C(C)C 27a_100102657272_100000697854 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.31 CNc1nnc(s1)C(C)C 27a_100102657272_100000687747 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.31 COc1ccn(n1)C(C)C 34a_100013209193_200000210301 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.31 CSc1ccc(s1)C(C)N 62a_100102723530_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.31 CSc1ccc(s1)C(C)N 62a_200000210301_100102723530 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.31 CSc1ccn(n1)C(C)C 62a_100012351941_200000210301 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.31 CSc1ccn(n1)C(C)C 62a_200000210301_100012351941 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.31 CSc1cnc(s1)N(C)C 62a_100012356744_200000210301 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.31 CSc1cnc(s1)N(C)C 62a_200000210301_100012356744 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.31 CSc1cnn(c1)C(C)C 62a_100012073297_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.31 CSc1cnn(c1)C(C)C 62a_200000210301_100012073297 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.31 CSc1csc(c1)C(C)N 62a_100159270200_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.31 CSc1csc(c1)C(C)N 62a_200000210301_100159270200 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.31 CSc1csc(c1)C(F)F 62a_100010176050_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.31 CSc1csc(c1)C(F)F 62a_200000210301_100010176050 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,1,0,0,0,0|1,0,1]=3 250 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.31 CSc1csc(n1)C(C)C 62a_200000210301_200011934575 [0,1,0,0,0,0|0,0,0]=1 252 B10R1.31 CSc1csc(n1)C(C)C 62a_200011934575_200000210301 [0,1,0,0,0,0|0,0,0]=1 253 B10R1.31 CSc1csc(n1)N(C)C 62a_100012356714_200000210301 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.31 CSc1csc(n1)N(C)C 62a_200000210301_100012356714 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.31 CSc1n[nH]c(n1)N(C)C 62a_106454656773_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.31 CSc1n[nH]c(n1)N(C)C 62a_200000210301_106454656773 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.31 CSc1nc(ns1)N(C)C 27a_100102631434_200010005773 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.31 CSc1ncc(s1)C(C)C 62a_100000697854_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.31 CSc1ncc(s1)C(C)C 62a_200000210301_100000697854 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.31 CSc1nnc(s1)C(C)C 62a_100000687747_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.31 CSc1nnc(s1)C(C)C 62a_200000210301_100000687747 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.31 C[C@@H](O)c1nc(no1)CF 270196a_200000032654_100000717761 [0,1,0,0,0,0|2,1,0]=4 263 B10R1.31 C[C@H](O)c1nc(no1)CF 270196a_200000032654_217856618621 [0,1,0,0,0,0|2,1,0]=4 264 B10R1.31 [13CH3]Sc1csc(c1)C(F)F 62a_100010176050_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.31 [13CH3]Sc1csc(c1)C(F)F 62a_200025704644_100010176050 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.55 CC(C)(C)c1csc(n1)O 271570a_203496583355_100011935280 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.55 CC(C)(C)c1noc(n1)O 270196a_100000736211_100015183105 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.55 CC(C)(O)c1nc(cs1)O 271570a_203496583355_100011934576 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.55 CC(C)(O)c1ncc(s1)O 271570a_203496583355_200010140768 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.55 C[Si](C)(C)c1nc(cs1)O 271570a_203496583355_100009816575 [0,1,0,0,0,0|1,1,0]=3 271 B10R1.55 Cc1nc(no1)C(C)(C)C 270196a_100000736211_100000070787 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.55 Cc1noc(n1)C(C)(C)C 270196a_100000212224_106744555173 [0,1,0,0,0,0|1,1,0]=3 273 B10R1.55 Cc1noc(n1)C(C)(C)F 270196a_100000212224_100000765255 [0,1,0,0,0,0|1,1,0]=3 274 B10R1.55 Cc1noc(n1)C(C)(C)O 270196a_100000212224_100000242741 [0,1,0,0,0,0|1,1,0]=3 275 B10R1.55 Cc1noc(n1)C(C)(F)F 270196a_100000212224_100000042251 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,1,0,0,0,0|1,0,2]=4 277 B10R1.58 C=C(C)c1nc(c(s1)C)C 271570a_100000694244_100000765934 [0,1,0,0,0,0|0,0,2]=3 278 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.58 Cc1nc(sc1C)N(C)C 27a_100102631434_100000765934 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.58 Cc1nn(cc1O)C(C)C 271570a_203496583355_100012354293 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,1,0,0,0,0|1,0,2]=4 282 B10R1.59 CC(C)c1nc(sc1O)N 271570a_203496583355_100010209577 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,0,1,0,0,0|2,0,0]=3 284 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,0,1,0,0,0|3,0,0]=4 285 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,0,1,0,0,0|3,0,0]=4 286 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,0,1,0,0,0|3,0,0]=4 287 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [0,0,1,0,0,0|3,0,0]=4 288 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,0,1,0,0,0|2,0,1]=4 289 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,0,1,0,0,0|2,0,0]=3 290 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,0,1,0,0,0|2,0,0]=3 291 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,0,1,0,0,0|3,0,0]=4 292 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,0,1,0,0,0|3,0,0]=4 293 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,0,1,0,0,0|3,0,0]=4 294 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,0,1,0,0,0|3,0,0]=4 295 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,0,1,0,0,0|3,0,0]=4 296 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,0,1,0,0,0|3,0,0]=4 297 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,0,1,0,0,0|3,0,0]=4 298 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,0,1,0,0,0|3,0,0]=4 299 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,0,1,0,0,0|2,0,1]=4 300 B8R0.8 COC=CC(=O)C(C)C 1458a_100016268678_100000210206 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.9 C#CC(=NNC(C)C)C 4a_100000741168_100000690481 [0,0,1,0,0,0|2,0,1]=4 302 B8R0.9 C=CC(=NNC(C)C)C 4a_100000741168_200015361842 [0,0,1,0,0,0|2,0,0]=3 303 B8R0.9 CC(=NNC(C)C)CF 4a_100000741168_100000039719 [0,0,1,0,0,0|2,0,1]=4 304 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,0,1,0,0,0|1,1,1]=4 305 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,0,1,0,0,0|1,1,0]=3 306 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,0,1,0,0,0|2,1,0]=4 307 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,0,1,0,0,0|2,1,0]=4 308 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,0,1,0,0,0|2,1,0]=4 309 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,0,1,0,0,0|3,0,0]=4 310 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,0,1,0,0,0|3,0,0]=4 311 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,0,1,0,0,0|3,0,0]=4 312 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,0,1,0,0,0|2,1,0]=4 313 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,0,1,0,0,0|1,1,1]=4 314 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,0,1,0,0,0|2,1,0]=4 315 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,0,1,0,0,0|2,1,0]=4 316 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,1,0,0,0|2,1,0]=4 317 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,1,0,0,0|3,0,0]=4 318 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,1,0,0,0|1,0,2]=4 319 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,1,0,0,0|1,0,2]=4 320 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,1,0,0,0|3,0,0]=4 321 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,1,0,0,0|3,0,0]=4 322 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,1,0,0,0|3,0,0]=4 323 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,1,0,0,0|3,0,0]=4 324 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,1,0,0,0|3,0,0]=4 325 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,1,0,0,0|3,0,0]=4 326 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,1,0,0,0|3,0,0]=4 327 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,1,0,0,0|2,0,1]=4 328 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,1,0,0,0|3,0,0]=4 329 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,1,0,0,0|2,0,1]=4 330 B10R2.14 Brc1ccc(s1)C2CC2 271570a_100011220607_100010197418 [0,0,0,1,0,0|3,0,0]=4 331 B10R2.14 Brc1csc(n1)C2CC2 271570a_100011220607_200016082925 [0,0,0,1,0,0|1,0,0]=2 332 B10R2.14 Cc1c[nH]c(n1)C2CC2 271570a_100011220607_100161115468 [0,0,0,1,0,0|1,0,0]=2 333 B10R2.14 Cc1cc(cs1)C2CC2 271570a_100011220607_100000759034 [0,0,0,1,0,0|3,0,0]=4 334 B10R2.14 Cc1cc(n[nH]1)C2CC2 271570a_100011220607_100015199547 [0,0,0,1,0,0|3,0,0]=4 335 B10R2.14 Cc1cc(sn1)C2CC2 271570a_100011220607_100009815735 [0,0,0,1,0,0|2,0,0]=3 336 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,0,0,1,0,0|2,0,0]=3 337 B10R2.14 Cc1cnc(s1)C2CC2 271570a_100011220607_100000690809 [0,0,0,1,0,0|2,0,0]=3 338 B10R2.14 Cc1csc(c1)C2CC2 271570a_100011220607_100009876951 [0,0,0,1,0,0|1,0,0]=2 339 B10R2.14 Cc1csc(n1)C2CC2 271570a_100011220607_100011291629 [0,0,0,1,0,0|0,0,0]=1 340 B10R2.14 Cc1nc(c[nH]1)C2CC2 271570a_100011220607_100009814057 [0,0,0,1,0,0|2,0,0]=3 341 B10R2.14 Cc1nc(cs1)C2CC2 271570a_100011220607_100011934587 [0,0,0,1,0,0|2,0,0]=3 342 B10R2.14 Cc1nc(n[nH]1)C2CC2 271570a_100011220607_100000732540 [0,0,0,1,0,0|2,0,0]=3 343 B10R2.14 Cc1nc(no1)C2CC2 270196a_100011196852_100000070787 [0,0,0,1,0,0|2,0,0]=3 344 B10R2.14 Cc1nc(no1)C2CC2 271570a_100011220607_100012003639 [0,0,0,1,0,0|2,0,0]=3 345 B10R2.14 Cc1ncc(s1)C2CC2 271570a_100011220607_100000764884 [0,0,0,1,0,0|3,0,0]=4 346 B10R2.14 Cc1nnc(o1)C2CC2 271570a_100011220607_100000708914 [0,0,0,1,0,0|3,0,0]=4 347 B10R2.14 Cc1nnc(s1)C2CC2 271570a_100011220607_100000686958 [0,0,0,1,0,0|3,0,0]=4 348 B10R2.14 Cc1noc(n1)C2CC2 270196a_100000212224_100000210395 [0,0,0,1,0,0|1,1,0]=3 349 B10R2.14 Cc1noc(n1)C2CO2 270196a_100000212224_100000701028 [0,0,0,1,0,0|2,1,0]=4 350 B10R2.14 Cc1nsc(n1)C2CC2 271570a_100011220607_100000709739 [0,0,0,1,0,0|1,0,0]=2 351 B10R2.14 Cn1ccc(n1)C2CC2 271570a_100011220607_100000752436 [0,0,0,1,0,0|2,0,0]=3 352 B10R2.14 Cn1cnc(c1)C2CC2 271570a_100011220607_100000040308 [0,0,0,1,0,0|3,0,0]=4 353 B10R2.14 Cn1cnc(n1)C2CC2 271570a_100011220607_100009819955 [0,0,0,1,0,0|2,0,0]=3 354 B10R2.14 Cn1ncc(n1)C2CC2 271570a_100011220607_100000733932 [0,0,0,1,0,0|3,0,0]=4 355 B10R2.14 Cn1nnc(n1)C2CC2 271570a_100011220607_200009870515 [0,0,0,1,0,0|3,0,0]=4 356 B10R2.14 Nc1csc(n1)C2CC2 271570a_100011220607_200015188442 [0,0,0,1,0,0|1,0,0]=2 357 B10R2.14 Nc1nc(cs1)C2CC2 271570a_100011220607_100011998049 [0,0,0,1,0,0|3,0,0]=4 358 B10R2.14 Nc1nc(n[nH]1)C2CC2 271570a_100011220607_100015184587 [0,0,0,1,0,0|3,0,0]=4 359 B10R2.14 Oc1cnc([nH]1)C2CC2 271570a_203496583355_100010991395 [0,0,0,1,0,0|2,0,1]=4 360 B10R2.14 Oc1cnc(s1)C2CC2 271570a_203496583355_100012360360 [0,0,0,1,0,0|3,0,0]=4 361 B10R2.14 Oc1csc(n1)C2CC2 271570a_203496583355_100012360350 [0,0,0,1,0,0|1,0,0]=2 362 B10R2.14 Oc1nc(no1)C2CC2 270196a_100011196852_100015183105 [0,0,0,1,0,0|3,0,0]=4 363 B10R2.14 Oc1noc(n1)C2CC2 271570a_203496583355_100000719345 [0,0,0,1,0,0|2,1,0]=4 364 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,0,0,0,0,1|1,0,2]=4 365 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,0,0,0,0,1|1,0,2]=4 366 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,0,0,0,0,1|1,0,2]=4 367 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,0,0,0,0,1|1,0,2]=4 368 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,0,0,0,0,1|1,0,2]=4 369 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.13 CC(C)c1cnc(nc1)O 271570a_203496583355_100000102307 [0,0,0,0,0,1|3,0,0]=4 373 B10R1.13 CC(C)c1ncc(cn1)O 271570a_203496583355_200009814916 [0,0,0,0,0,1|2,0,0]=3 374 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,0,0,0,0,1|3,0,0]=4 375 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,0,0,0,0,1|3,0,0]=4 376 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [0,0,0,0,0,1|3,0,0]=4 380 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,0,0,0,0,1|3,0,0]=4 382 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [0,0,0,0,0,1|3,0,0]=4 383 B10R1.13 CN(C)c1ccc(nn1)O 271570a_203496583355_100000215273 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [0,0,0,0,0,1|3,0,0]=4 385 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.13 CN(C)c1ncc(cn1)Br 27a_100102631434_100000690281 [0,0,0,0,0,1|3,0,0]=4 388 B10R1.13 CN(C)c1ncc(cn1)Cl 27a_100102631434_100011356929 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.13 CN(C)c1ncc(cn1)F 27a_100102631434_100000685220 [0,0,0,0,0,1|3,0,0]=4 390 B10R1.13 CN(C)c1ncc(cn1)O 271570a_203496583355_100011934759 [0,0,0,0,0,1|3,0,0]=4 391 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [0,0,0,0,0,1|3,0,0]=4 392 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,0,0,0,0,1|3,0,0]=4 395 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,0,0,0,0,1|3,0,0]=4 396 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B10R1.13 Cc1ccc(nn1)N(C)C 27a_100102631434_100000744512 [0,0,0,0,0,1|2,0,0]=3 399 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [0,0,0,0,0,1|2,0,0]=3 400 B10R1.13 Cc1cnc(nc1)N(C)C 27a_100102631434_100000061069 [0,0,0,0,0,1|2,0,0]=3 401 B10R1.54 CC(=Cc1c[nH]c(n1)C)C 271570a_100102525489_100009814057 [0,0,0,0,0,1|2,0,1]=4 402 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,0,0,0,0,1|1,0,1]=3 403 B10R1.54 CC(=Cc1cc(ns1)C)C 271570a_100102525489_100009815735 [0,0,0,0,0,1|2,0,1]=4 404 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,0,0,0,0,1|2,0,1]=4 405 B10R1.54 CC(=Cc1ccn(n1)C)C 271570a_100102525489_100000752436 [0,0,0,0,0,1|2,0,1]=4 406 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,0,0,0,0,1|2,0,1]=4 407 B10R1.54 CC(=Cc1n[nH]c(n1)C)C 271570a_100102525489_100000732540 [0,0,0,0,0,1|2,0,1]=4 408 B10R1.54 CC(=Cc1nc(c[nH]1)C)C 271570a_100102525489_100161115468 [0,0,0,0,0,1|1,0,1]=3 409 B10R1.54 CC(=Cc1nc(cs1)Br)C 271570a_100102525489_200016082925 [0,0,0,0,0,1|1,0,1]=3 410 B10R1.54 CC(=Cc1nc(cs1)C)C 271570a_100102525489_100011291629 [0,0,0,0,0,1|0,0,1]=2 411 B10R1.54 CC(=Cc1nc(cs1)N)C 271570a_100102525489_200015188442 [0,0,0,0,0,1|1,0,1]=3 412 B10R1.54 CC(=Cc1nc(ns1)C)C 271570a_100102525489_100000709739 [0,0,0,0,0,1|1,0,1]=3 413 B10R1.54 CC(=Cc1ncc(s1)C)C 271570a_100102525489_100000690809 [0,0,0,0,0,1|2,0,1]=4 414 B10R1.54 CC(=Cc1ncn(n1)C)C 271570a_100102525489_100009819955 [0,0,0,0,0,1|2,0,1]=4 415 B10R1.54 CC(=Cc1noc(n1)C)C 271570a_100102525489_100012003639 [0,0,0,0,0,1|2,0,1]=4 416 B10R1.54 CC(C)Cc1noc(n1)O 270196a_100000210173_100015183105 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.54 CC(C)Oc1ccn(n1)C 34a_100012642153_100000210206 [0,0,0,0,0,1|2,0,0]=3 418 B10R1.54 CC(C)Oc1ncc(s1)O 271570a_203496583355_100010238083 [0,0,0,0,0,1|3,0,0]=4 419 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100000210206_100010197418 [0,0,0,0,0,1|3,0,0]=4 420 B10R1.54 CC(C)Sc1ccc(s1)Br 62a_100010197418_100000210206 [0,0,0,0,0,1|3,0,0]=4 421 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000210206_100000752436 [0,0,0,0,0,1|2,0,0]=3 422 B10R1.54 CC(C)Sc1ccn(n1)C 62a_100000752436_100000210206 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000040308_100000210206 [0,0,0,0,0,1|3,0,0]=4 424 B10R1.54 CC(C)Sc1cn(cn1)C 62a_100000210206_100000040308 [0,0,0,0,0,1|3,0,0]=4 425 B10R1.54 CC(C)Sc1cnn(n1)C 62a_100000210206_100000733932 [0,0,0,0,0,1|3,0,0]=4 426 B10R1.54 CC(C)Sc1cnn(n1)C 62a_100000733932_100000210206 [0,0,0,0,0,1|3,0,0]=4 427 B10R1.54 CC(C)Sc1csc(n1)N 62a_100000210206_100011998049 [0,0,0,0,0,1|3,0,0]=4 428 B10R1.54 CC(C)Sc1csc(n1)N 62a_100011998049_100000210206 [0,0,0,0,0,1|3,0,0]=4 429 B10R1.54 CC(C)Sc1n[nH]c(n1)N 62a_100000210206_100015184587 [0,0,0,0,0,1|3,0,0]=4 430 B10R1.54 CC(C)Sc1n[nH]c(n1)N 62a_100015184587_100000210206 [0,0,0,0,0,1|3,0,0]=4 431 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_100000210206_200016082925 [0,0,0,0,0,1|1,0,0]=2 432 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_200016082925_100000210206 [0,0,0,0,0,1|1,0,0]=2 433 B10R1.54 CC(C)Sc1nc(cs1)N 62a_100000210206_200015188442 [0,0,0,0,0,1|1,0,0]=2 434 B10R1.54 CC(C)Sc1nc(cs1)N 62a_200015188442_100000210206 [0,0,0,0,0,1|1,0,0]=2 435 B10R1.54 CC(C)Sc1ncn(n1)C 62a_100000210206_100009819955 [0,0,0,0,0,1|2,0,0]=3 436 B10R1.54 CC(C)Sc1ncn(n1)C 62a_100009819955_100000210206 [0,0,0,0,0,1|2,0,0]=3 437 B10R1.54 CC(C)Sc1nnn(n1)C 62a_100000210206_200009870515 [0,0,0,0,0,1|3,0,0]=4 438 B10R1.54 CC(C)Sc1nnn(n1)C 62a_200009870515_100000210206 [0,0,0,0,0,1|3,0,0]=4 439 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,0,0,0,0,1|3,0,0]=4 440 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,0,0,0,0,1|3,0,0]=4 441 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,0,0,0,0,1|3,0,0]=4 442 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,0,0,0,0,1|3,0,0]=4 443 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,0,0,0,0,1|3,0,0]=4 444 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,0,0,0,0,1|3,0,0]=4 445 B10R1.54 CN(C)Cc1ccn(n1)C 2230a_100102631434_100000726502 [0,0,0,0,0,1|3,0,0]=4 446 B10R1.54 CN(C)Cc1ccn(n1)C 269982a_100102631434_100000726502 [0,0,0,0,0,1|3,0,0]=4 447 B10R1.54 CN(C)Cc1ccn(n1)C 270004a_100102631434_100000750880 [0,0,0,0,0,1|3,0,0]=4 448 B10R1.54 CN(C)Cc1nc(cs1)Br 270004a_100102631434_100009816814 [0,0,0,0,0,1|2,0,0]=3 449 B10R1.54 CN(C)Cc1ncn(n1)C 2230a_100102631434_100016995526 [0,0,0,0,0,1|3,0,0]=4 450 B10R1.54 CN(C)Cc1ncn(n1)C 269982a_100102631434_100016995526 [0,0,0,0,0,1|3,0,0]=4 451 B10R1.54 CN(C)Cc1ncn(n1)C 270004a_100102631434_100010630104 [0,0,0,0,0,1|3,0,0]=4 452 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,0,0,0,0,1|3,0,0]=4 453 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,0,0,0,0,1|3,0,0]=4 454 B10R1.54 Cc1c[nH]c(n1)CN(C)C 2230a_100015186541_200000210301 [0,0,0,0,0,1|2,0,0]=3 455 B10R1.54 Cc1c[nH]c(n1)CN(C)C 270004a_100102631434_100000082322 [0,0,0,0,0,1|2,0,0]=3 456 B10R1.54 Cc1c[nH]c(n1)CN(C)[13CH3] 2230a_100015186541_200025704644 [0,0,0,0,0,1|2,0,0]=3 457 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100000210206_100161115468 [0,0,0,0,0,1|1,0,0]=2 458 B10R1.54 Cc1c[nH]c(n1)SC(C)C 62a_100161115468_100000210206 [0,0,0,0,0,1|1,0,0]=2 459 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000210206_100000759034 [0,0,0,0,0,1|3,0,0]=4 460 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000759034_100000210206 [0,0,0,0,0,1|3,0,0]=4 461 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100000210206_100009819999 [0,0,0,0,0,1|3,0,0]=4 462 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100009819999_100000210206 [0,0,0,0,0,1|3,0,0]=4 463 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000210206_100000716708 [0,0,0,0,0,1|3,0,0]=4 464 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000716708_100000210206 [0,0,0,0,0,1|3,0,0]=4 465 B10R1.54 Cc1cc(sn1)SC(C)C 62a_100000210206_100009815735 [0,0,0,0,0,1|2,0,0]=3 466 B10R1.54 Cc1cc(sn1)SC(C)C 62a_100009815735_100000210206 [0,0,0,0,0,1|2,0,0]=3 467 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,0,0,0,0,1|3,0,0]=4 468 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,0,0,0,0,1|3,0,0]=4 469 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,0,0,0,0,1|3,0,0]=4 470 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,0,0,0,0,1|3,0,0]=4 471 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,0,0,0,0,1|3,0,0]=4 472 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,0,0,0,0,1|3,0,0]=4 473 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,0,0,0,0,1|3,0,0]=4 474 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,0,0,0,0,1|3,0,0]=4 475 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,0,0,0,0,1|3,0,0]=4 476 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,0,0,0,0,1|3,0,0]=4 477 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,0,0,0,0,1|3,0,0]=4 478 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,0,0,0,0,1|3,0,0]=4 479 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,0,0,0,0,1|2,0,0]=3 480 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,0,0,0,0,1|2,0,0]=3 481 B10R1.54 Cc1cnc(s1)CN(C)C 270004a_100102631434_100011361622 [0,0,0,0,0,1|3,0,0]=4 482 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000210206_100000690809 [0,0,0,0,0,1|2,0,0]=3 483 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000690809_100000210206 [0,0,0,0,0,1|2,0,0]=3 484 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,0,0,0,0,1|2,0,0]=3 485 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,0,0,0,0,1|2,0,0]=3 486 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,0,0,0,0,1|2,0,0]=3 487 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,0,0,0,0,1|2,0,0]=3 488 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,0,0,0,0,1|2,0,0]=3 489 B10R1.54 Cc1csc(c1)SC(C)C 62a_100000210206_100009876951 [0,0,0,0,0,1|1,0,0]=2 490 B10R1.54 Cc1csc(c1)SC(C)C 62a_100009876951_100000210206 [0,0,0,0,0,1|1,0,0]=2 491 B10R1.54 Cc1csc(n1)CN(C)C 2230a_100000757614_200000210301 [0,0,0,0,0,1|1,0,0]=2 492 B10R1.54 Cc1csc(n1)CN(C)C 269982a_100000757614_200000210301 [0,0,0,0,0,1|1,0,0]=2 493 B10R1.54 Cc1csc(n1)CN(C)C 270004a_100102631434_100000756994 [0,0,0,0,0,1|1,0,0]=2 494 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 2230a_100000757614_200025704644 [0,0,0,0,0,1|1,0,0]=2 495 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 269982a_100000757614_200025704644 [0,0,0,0,0,1|1,0,0]=2 496 B10R1.54 Cc1csc(n1)SC(C)C 62a_100000210206_100011291629 [0,0,0,0,0,1|0,0,0]=1 497 B10R1.54 Cc1csc(n1)SC(C)C 62a_100011291629_100000210206 [0,0,0,0,0,1|0,0,0]=1 498 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100000210206_100009814057 [0,0,0,0,0,1|2,0,0]=3 499 B10R1.54 Cc1nc(c[nH]1)SC(C)C 62a_100009814057_100000210206 [0,0,0,0,0,1|2,0,0]=3 500 B10R1.54 Cc1nc(co1)CN(C)C 270004a_100102631434_100011361629 [0,0,0,0,0,1|3,0,0]=4 501 B10R1.54 Cc1nc(cs1)CN(C)C 2230a_100000207643_200000210301 [0,0,0,0,0,1|3,0,0]=4 502 B10R1.54 Cc1nc(cs1)CN(C)C 2230a_100102631434_100015186478 [0,0,0,0,0,1|3,0,0]=4 503 B10R1.54 Cc1nc(cs1)CN(C)C 269982a_100000207643_200000210301 [0,0,0,0,0,1|3,0,0]=4 504 B10R1.54 Cc1nc(cs1)CN(C)C 269982a_100102631434_100015186478 [0,0,0,0,0,1|3,0,0]=4 505 B10R1.54 Cc1nc(cs1)CN(C)C 270004a_100102631434_100000203724 [0,0,0,0,0,1|3,0,0]=4 506 B10R1.54 Cc1nc(cs1)CN(C)[13CH3] 2230a_100000207643_200025704644 [0,0,0,0,0,1|3,0,0]=4 507 B10R1.54 Cc1nc(cs1)CN(C)[13CH3] 269982a_100000207643_200025704644 [0,0,0,0,0,1|3,0,0]=4 508 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100000210206_100011934587 [0,0,0,0,0,1|2,0,0]=3 509 B10R1.54 Cc1nc(cs1)SC(C)C 62a_100011934587_100000210206 [0,0,0,0,0,1|2,0,0]=3 510 B10R1.54 Cc1nc(n[nH]1)SC(C)C 62a_100000210206_100000732540 [0,0,0,0,0,1|2,0,0]=3 511 B10R1.54 Cc1nc(n[nH]1)SC(C)C 62a_100000732540_100000210206 [0,0,0,0,0,1|2,0,0]=3 512 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,0,0,0,0,1|2,0,0]=3 513 B10R1.54 Cc1nc(no1)CC(C)O 270196a_100000755598_100000070787 [0,0,0,0,0,1|3,0,0]=4 514 B10R1.54 Cc1nc(no1)CN(C)C 2230a_100000697600_200000210301 [0,0,0,0,0,1|3,0,0]=4 515 B10R1.54 Cc1nc(no1)CN(C)C 2230a_100102631434_100000231061 [0,0,0,0,0,1|3,0,0]=4 516 B10R1.54 Cc1nc(no1)CN(C)C 269982a_100102631434_100000231061 [0,0,0,0,0,1|3,0,0]=4 517 B10R1.54 Cc1nc(no1)CN(C)[13CH3] 2230a_100000697600_200025704644 [0,0,0,0,0,1|3,0,0]=4 518 B10R1.54 Cc1nc(no1)NC(C)C 27a_100138425928_100012003639 [0,0,0,0,0,1|2,0,0]=3 519 B10R1.54 Cc1nc(no1)SC(C)C 62a_100000210206_100012003639 [0,0,0,0,0,1|2,0,0]=3 520 B10R1.54 Cc1nc(no1)SC(C)C 62a_100012003639_100000210206 [0,0,0,0,0,1|2,0,0]=3 521 B10R1.54 Cc1ncc(s1)SC(C)C 62a_100000210206_100000764884 [0,0,0,0,0,1|3,0,0]=4 522 B10R1.54 Cc1ncc(s1)SC(C)C 62a_100000764884_100000210206 [0,0,0,0,0,1|3,0,0]=4 523 B10R1.54 Cc1nnc(o1)NC(C)C 27a_100138425928_100000708914 [0,0,0,0,0,1|3,0,0]=4 524 B10R1.54 Cc1nnc(o1)SC(C)C 62a_100000210206_100000708914 [0,0,0,0,0,1|3,0,0]=4 525 B10R1.54 Cc1nnc(s1)NC(C)C 27a_100138425928_100000686958 [0,0,0,0,0,1|3,0,0]=4 526 B10R1.54 Cc1nnc(s1)SC(C)C 62a_100000210206_100000686958 [0,0,0,0,0,1|3,0,0]=4 527 B10R1.54 Cc1nnc(s1)SC(C)C 62a_100000686958_100000210206 [0,0,0,0,0,1|3,0,0]=4 528 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [0,0,0,0,0,1|1,1,0]=3 529 B10R1.54 Cc1noc(n1)CN(C)C 2230a_100015202406_200000210301 [0,0,0,0,0,1|2,1,0]=4 530 B10R1.54 Cc1noc(n1)CN(C)C 2230a_100102631434_100000735555 [0,0,0,0,0,1|2,1,0]=4 531 B10R1.54 Cc1noc(n1)CN(C)C 269982a_100102631434_100000735555 [0,0,0,0,0,1|2,1,0]=4 532 B10R1.54 Cc1noc(n1)CN(C)C 270196a_100000212224_100000750896 [0,0,0,0,0,1|2,1,0]=4 533 B10R1.54 Cc1noc(n1)CN(C)[13CH3] 2230a_100015202406_200025704644 [0,0,0,0,0,1|2,1,0]=4 534 B10R1.54 Cc1noc(n1)C[C@@H](C)O 270196a_100000212224_100011933948 [0,0,0,0,0,1|2,1,0]=4 535 B10R1.54 Cc1noc(n1)C[S+](C)C 270196a_100000212224_200159257847 [0,0,0,0,0,1|2,1,0]=4 536 B10R1.54 Cc1nsc(n1)NC(C)C 27a_100138425928_100000709739 [0,0,0,0,0,1|1,0,0]=2 537 B10R1.54 Cc1nsc(n1)SC(C)C 62a_100000210206_100000709739 [0,0,0,0,0,1|1,0,0]=2 538 B10R1.54 Cc1nsc(n1)SC(C)C 62a_100000709739_100000210206 [0,0,0,0,0,1|1,0,0]=2 539 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,0,0,1|1,0,2]=4 540 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,0,0,0,0,1|1,0,2]=4 541 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,0,0,0,0,1|1,0,2]=4 542 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,0,0,0,0,1|1,0,2]=4 543 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,0,0,0,0,1|3,0,0]=4 544 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,0,0,0,0,1|3,0,0]=4 545 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,0,0,0,0,1|2,0,0]=3 546 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [0,0,0,0,0,1|3,0,0]=4 547 B10R1.113 CC(C)c1ccnc(n1)O 271570a_203496583355_100011935126 [0,0,0,0,0,1|2,0,0]=3 548 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,0,0,0,0,1|3,0,0]=4 549 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [0,0,0,0,0,1|2,0,0]=3 550 B10R1.113 CC(C)c1nccc(n1)O 271570a_203496583355_100000752938 [0,0,0,0,0,1|2,0,0]=3 551 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,0,0,0,0,1|3,0,0]=4 552 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,0,0,0,0,1|3,0,0]=4 553 B10R1.113 CC1=CCCN(C1)C(C)C 2230a_100000725631_100000210206 [0,0,0,0,0,1|3,0,0]=4 554 B10R1.113 CC1=CCCN(C1)C(C)C 269982a_100000725631_100000210206 [0,0,0,0,0,1|3,0,0]=4 555 B10R1.113 CC1=CCCN(C1)C(C)C 34a_100000725631_100000210206 [0,0,0,0,0,1|3,0,0]=4 556 B10R1.113 CN(C)c1cc[nH]c(=O)n1 27a_100102631434_200000134032 [0,0,0,0,0,1|3,0,0]=4 557 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,0,0,0,0,1|3,0,0]=4 558 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,0,0,0,0,1|3,0,0]=4 559 B10R1.113 CN(C)c1ccnc(n1)N 27a_100102631434_100000055538 [0,0,0,0,0,1|3,0,0]=4 560 B10R1.113 CN(C)c1ccnc(n1)O 271570a_203496583355_100000688391 [0,0,0,0,0,1|3,0,0]=4 561 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [0,0,0,0,0,1|3,0,0]=4 562 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [0,0,0,0,0,1|3,0,0]=4 563 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [0,0,0,0,0,1|3,0,0]=4 564 B10R1.113 CN(C)c1nccc(n1)N 27a_100102631434_100000757536 [0,0,0,0,0,1|3,0,0]=4 565 B10R1.113 CN(C)c1nccc(n1)O 271570a_203496583355_100000757975 [0,0,0,0,0,1|3,0,0]=4 566 B10R1.113 CN(C)c1nccc(n1)O 27a_100102631434_100011649813 [0,0,0,0,0,1|3,0,0]=4 567 B10R1.113 CN(C)c1ncnc(n1)N 27a_100102631434_100000123831 [0,0,0,0,0,1|3,0,0]=4 568 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [0,0,0,0,0,1|3,0,0]=4 569 B10R1.113 Cc1cc(ncn1)N(C)C 27a_100102631434_100000744208 [0,0,0,0,0,1|3,0,0]=4 570 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 571 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 572 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,1|3,0,0]=4 573 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 574 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 575 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,1|3,0,0]=4 576 B10R1.113 Cc1ccnc(n1)N(C)C 27a_100102631434_100000750684 [0,0,0,0,0,1|2,0,0]=3 577 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,0,0,0,0,1|2,0,0]=3 578 B10R1.113 Cc1cnnc(c1)N(C)C 27a_100102631434_100000070100 [0,0,0,0,0,1|3,0,0]=4 579 B10R1.113 Cc1nccc(n1)N(C)C 27a_100102631434_100000749937 [0,0,0,0,0,1|2,0,0]=3 580 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|2,0,0]=4 581 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [1,0,1,0,0,0|2,0,0]=4 582 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|2,0,0]=4 583 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|2,0,0]=4 584 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,1,0,0,0|2,0,0]=4 585 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,1,0,0,0|2,0,0]=4 586 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,1,0,0,0|2,0,0]=4 587 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,1,0,0,0|2,0,0]=4 588 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,1,0,0,0|2,0,0]=4 589 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,1,0,0,0|2,0,0]=4 590 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,1,0,0,0|2,0,0]=4 591 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,1,0,0,0|2,0,0]=4 592 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,1,0,0,0|2,0,0]=4 593 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,1,0,0,0|2,0,0]=4 594 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,0,1,0,0,0|1,1,0]=4 595 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,0,1,0,0,0|1,1,0]=4 596 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,0,1,0,0,0|2,0,0]=4 597 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,0,1,0,0,0|2,0,0]=4 598 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,0,1,0,0,0|2,0,0]=4 599 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,0,1,0,0,0|1,0,0]=3 600 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 601 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 602 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,0,1,0,0,0|2,0,0]=4 603 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,1,0,0,0|2,0,0]=4 604 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,1,0,0,0|2,0,0]=4 605 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,1,0,0,0|2,0,0]=4 606 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,1,0,0,0|2,0,0]=4 607 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,1,0,0,0|2,0,0]=4 608 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,1,0,0,0|2,0,0]=4 609 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,1,0,0,0|1,1,0]=4 610 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,1,0,0,0|1,1,0]=4 611 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,1,0,0,0|1,1,0]=4 612 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [2,0,0,0,0,0|0,0,2]=4 613 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [2,0,0,0,0,0|2,0,0]=4 614 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [2,0,0,0,0,0|2,0,0]=4 615 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 616 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 617 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [2,0,0,0,0,0|2,0,0]=4 618 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [2,0,0,0,0,0|2,0,0]=4 619 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|1,1,0]=4 620 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|1,1,0]=4 621 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [2,0,0,0,0,0|1,0,0]=3 622 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [2,0,0,0,0,0|1,0,0]=3 623 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [2,0,0,0,0,0|2,0,0]=4 624 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [2,0,0,0,0,0|2,0,0]=4 625 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [2,0,0,0,0,0|2,0,0]=4 626 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [2,0,0,0,0,0|2,0,0]=4 627 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 628 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 629 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [2,0,0,0,0,0|2,0,0]=4 630 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [2,0,0,0,0,0|2,0,0]=4 631 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|1,1,0]=4 632 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|1,1,0]=4 633 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [2,0,0,0,0,0|1,0,0]=3 634 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [2,0,0,0,0,0|1,0,0]=3 635 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [2,0,0,0,0,0|2,0,0]=4 637 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [2,0,0,0,0,0|2,0,0]=4 638 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [2,0,0,0,0,0|2,0,0]=4 639 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [2,0,0,0,0,0|2,0,0]=4 640 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [2,0,0,0,0,0|2,0,0]=4 641 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [2,0,0,0,0,0|2,0,0]=4 642 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [2,0,0,0,0,0|1,0,0]=3 643 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [2,0,0,0,0,0|2,0,0]=4 644 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [2,0,0,0,0,0|1,0,0]=3 645 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [2,0,0,0,0,0|1,1,0]=4 646 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [2,0,0,0,0,0|2,0,0]=4 647 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [2,0,0,0,0,0|2,0,0]=4 648 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [2,0,0,0,0,0|2,0,0]=4 649 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [2,0,0,0,0,0|2,0,0]=4 650 B9R0.3 C/C=C/CC(=O)C(C)(C)C 1458a_106744555173_100102629194 [0,1,1,0,0,0|2,0,0]=4 651 B9R0.3 C/C=C/CC(=O)C(C)(C)F 1458a_100000765255_100102629194 [0,1,1,0,0,0|2,0,0]=4 652 B9R0.3 C/C=C/CC(=O)C(C)(C)O 1458a_100000242741_100102629194 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.3 CC=CCC(=O)C(C)(C)C 1458a_106744555173_100000070051 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.3 CC=CCC(=O)C(C)(C)F 1458a_100000765255_100000070051 [0,1,1,0,0,0|2,0,0]=4 655 B9R0.3 CC=CCC(=O)C(C)(C)O 1458a_100000242741_100000070051 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.8 C/C=C/CC(=O)C(C)CC 1458a_100011192722_100102629194 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.8 C/C=C/CC(=O)C(C)OC 1458a_100000743197_100102629194 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.8 C/C=C/CC(=O)C(C)SC 1458a_100000149566_100102629194 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100011192722_100000070051 [0,1,1,0,0,0|2,0,0]=4 662 B9R0.8 CC=CCC(=O)C(C)CC 1458a_100121576822_100000758301 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.8 CC=CCC(=O)C(C)OC 1458a_100000743197_100000070051 [0,1,1,0,0,0|2,0,0]=4 664 B9R0.8 CC=CCC(=O)C(C)SC 1458a_100000149566_100000070051 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.47 C/C=C/C=CC(=O)C(C)C 1458a_100000185730_100000210206 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.21 C=CC(=NNC(C)(C)C)C 4a_100000725372_200015361842 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.24 C=CC(=NNC(C)CC)C 4a_100000718999_200015361842 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.43 C=CC(=NNC(C)C)CC 4a_100000741168_100000747743 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.48 CC=CC(=NNC(C)C)C 4a_100000741168_100011218416 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.48 CSCC(=NNC(C)C)C 4a_100000741168_100011216314 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.10 C=C(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748629 [0,1,1,0,0,0|1,1,0]=4 674 B9R0.10 C=C(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748629 [0,1,1,0,0,0|1,1,0]=4 675 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [0,1,1,0,0,0|1,1,0]=4 676 B9R1.7 C=C=Cc1nc(cs1)C 271570a_100015277604_100011291629 [1,1,0,0,0,0|0,0,2]=4 677 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.7 CC=Cc1nc(c[nH]1)C 271570a_100016259895_100161115468 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.7 CC=Cc1nc(cs1)Br 271570a_100016259895_200016082925 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.7 CC=Cc1nc(cs1)C 271570a_100016259895_100011291629 [1,1,0,0,0,0|0,0,1]=3 681 B9R1.7 CC=Cc1nc(cs1)N 271570a_100016259895_200015188442 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.7 CC=Cc1nc(ns1)C 271570a_100016259895_100000709739 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [1,1,0,0,0,0|1,1,0]=4 684 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.7 CCNc1nc(ns1)C 27a_100015525214_100000709739 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.7 CCNc1noc(n1)C 27a_100015525214_100012003639 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.7 CCSc1n[nH]c(n1)C 62a_100000210202_100000732540 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.7 CCSc1n[nH]c(n1)C 62a_100000732540_100000210202 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.7 CCSc1nc(cs1)Br 62a_100000210202_200016082925 [1,1,0,0,0,0|1,0,0]=3 706 B9R1.7 CCSc1nc(cs1)Br 62a_200016082925_100000210202 [1,1,0,0,0,0|1,0,0]=3 707 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [1,1,0,0,0,0|0,0,0]=2 708 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [1,1,0,0,0,0|0,0,0]=2 709 B9R1.7 CCSc1nc(cs1)N 62a_100000210202_200015188442 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.7 CCSc1nc(cs1)N 62a_200015188442_100000210202 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.7 CCSc1nc(ns1)C 62a_100000210202_100000709739 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.7 CCSc1nc(ns1)C 62a_100000709739_100000210202 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.7 CCSc1ncn(n1)C 62a_100000210202_100009819955 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.7 CCSc1ncn(n1)C 62a_100009819955_100000210202 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.7 CCSc1noc(n1)C 62a_100000210202_100012003639 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.7 CCSc1noc(n1)C 62a_100012003639_100000210202 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,1,0,0,0,0|1,0,0]=3 728 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,1,0,0,0,0|1,0,0]=3 729 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,1,0,0,0,0|1,0,0]=3 730 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,1,0,0,0,0|1,0,0]=3 731 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.7 CNCc1n[nH]c(n1)C 2230a_100000752542_200000210301 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [1,1,0,0,0,0|0,0,0]=2 761 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [1,1,0,0,0,0|0,0,0]=2 762 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [1,1,0,0,0,0|0,0,0]=2 763 B9R1.7 CNCc1nc(no1)C 2230a_106832991635_100000735555 [1,1,0,0,0,0|1,1,0]=4 764 B9R1.7 CNCc1nc(no1)C 34a_100102657272_100000735555 [1,1,0,0,0,0|1,1,0]=4 765 B9R1.7 CNCc1nc(no1)C 7a_106832991635_100000735555 [1,1,0,0,0,0|1,1,0]=4 766 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.7 CNCc1ncn(n1)C 207a_100102657272_100010630104 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.7 CNCc1ncn(n1)C 2230a_100000695864_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.7 CNCc1ncn(n1)C 2230a_106832991635_100016995526 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.7 CNCc1ncn(n1)C 270004a_106832991635_100010630104 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.7 CNCc1ncn(n1)C 34a_100102657272_100016995526 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.7 CNCc1ncn(n1)C 7a_106832991635_100016995526 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.7 CNCc1noc(n1)C 2230a_106832991635_100000231061 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.7 CNCc1noc(n1)C 34a_100102657272_100000231061 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.7 CNCc1noc(n1)C 7a_106832991635_100000231061 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [1,1,0,0,0,0|1,0,0]=3 794 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [1,1,0,0,0,0|1,1,0]=4 795 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [1,1,0,0,0,0|1,1,0]=4 796 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [1,1,0,0,0,0|1,1,0]=4 797 B9R1.7 COCc1ncn(n1)C 34a_100138415774_100016995526 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.7 COCc1noc(n1)C 270196a_100000195696_100000070787 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.7 COCc1noc(n1)C 34a_100138415774_100000231061 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [1,1,0,0,0,0|1,1,0]=4 807 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [1,1,0,0,0,0|1,1,0]=4 808 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [1,1,0,0,0,0|1,1,0]=4 809 B9R1.7 CSCc1ncn(n1)C 62a_100016995526_200000210301 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.7 CSCc1ncn(n1)C 62a_200000210301_100016995526 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100015361967_100161115468 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100161115468_100015361967 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,1,0,0,0,0|1,0,0]=3 824 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,1,0,0,0,0|1,0,0]=3 825 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,1,0,0,0,0|1,0,0]=3 827 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [1,1,0,0,0,0|0,0,0]=2 830 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.7 Cc1nc(n[nH]1)CN[13CH3] 2230a_100000752542_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [1,1,0,0,0,0|1,1,0]=4 841 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [1,1,0,0,0,0|1,1,0]=4 842 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [1,1,0,0,0,0|1,1,0]=4 843 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [1,1,0,0,0,0|1,1,0]=4 844 B9R1.7 Cc1nsc(n1)SCF 62a_100000709739_100015361967 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.7 Cc1nsc(n1)SCF 62a_100015361967_100000709739 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.7 Cn1cnc(n1)CN[13CH3] 2230a_100000695864_200025704644 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_100016995526_200025704644 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.7 Cn1cnc(n1)CS[13CH3] 62a_200025704644_100016995526 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.7 FCSc1nc(cs1)Br 62a_100015361967_200016082925 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.7 FCSc1nc(cs1)Br 62a_200016082925_100015361967 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.7 Nc1csc(n1)SCF 62a_100015361967_200015188442 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.7 Nc1csc(n1)SCF 62a_200015188442_100015361967 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [1,1,0,0,0,0|1,0,0]=3 863 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.21 C=Cc1csc(n1)CO 271570a_100011290941_100012000107 [1,1,0,0,0,0|1,0,1]=4 867 B9R1.21 C=Cc1csc(n1)OC 271570a_100011290941_100000727839 [1,1,0,0,0,0|1,0,1]=4 868 B9R1.21 C=Cc1csc(n1)SC 271570a_100011290941_100000732701 [1,1,0,0,0,0|1,0,1]=4 869 B9R1.21 C=Cc1nc(cs1)CO 271570a_100011290941_100009816749 [1,1,0,0,0,0|0,0,2]=4 870 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [1,1,0,0,0,0|1,0,0]=3 872 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [1,1,0,0,0,0|1,0,0]=3 873 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [1,1,0,0,0,0|1,0,0]=3 874 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.21 CCc1nc(no1)CF 270196a_200000032654_100000210414 [1,1,0,0,0,0|1,1,0]=4 879 B9R1.21 CCc1nc(no1)NC 27a_100102657272_100012003642 [1,1,0,0,0,0|1,1,0]=4 880 B9R1.21 CCc1nc(no1)SC 62a_100012003642_200000210301 [1,1,0,0,0,0|1,1,0]=4 881 B9R1.21 CCc1nc(no1)SC 62a_200000210301_100012003642 [1,1,0,0,0,0|1,1,0]=4 882 B9R1.21 CCc1nc(no1)S[13CH3] 62a_100012003642_200025704644 [1,1,0,0,0,0|1,1,0]=4 883 B9R1.21 CCc1nc(no1)S[13CH3] 62a_200025704644_100012003642 [1,1,0,0,0,0|1,1,0]=4 884 B9R1.21 CCc1noc(n1)CC 270196a_200000212204_100000210414 [1,1,0,0,0,0|1,1,0]=4 885 B9R1.21 CCc1noc(n1)CO 270196a_200000212204_100000210174 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.21 CCn1ccc(n1)SC 62a_100012350556_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.21 CCn1ccc(n1)SC 62a_200000210301_100012350556 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_100012350556_200025704644 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_200025704644_100012350556 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.21 CNc1nc(cs1)C#N 27a_100102657272_100009819631 [1,1,0,0,0,0|1,0,1]=4 891 B9R1.21 CNc1nsc(n1)SC 27a_100102657272_200010005773 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.21 COc1nc(cs1)SC 62a_100000727839_200000210301 [1,1,0,0,0,0|1,0,0]=3 893 B9R1.21 COc1nc(cs1)SC 62a_200000210301_100000727839 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.21 COc1nc(cs1)S[13CH3] 62a_100000727839_200025704644 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.21 COc1nc(cs1)S[13CH3] 62a_200025704644_100000727839 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.21 CSc1csc(n1)C#N 62a_200000210301_100009819034 [1,1,0,0,0,0|1,0,1]=4 905 B9R1.21 CSc1csc(n1)C=O 62a_100009816814_200000210301 [1,1,0,0,0,0|1,0,1]=4 906 B9R1.21 CSc1csc(n1)C=O 62a_200000210301_100009816814 [1,1,0,0,0,0|1,0,1]=4 907 B9R1.21 CSc1csc(n1)CO 62a_100012000107_200000210301 [1,1,0,0,0,0|1,0,0]=3 908 B9R1.21 CSc1csc(n1)CO 62a_200000210301_100012000107 [1,1,0,0,0,0|1,0,0]=3 909 B9R1.21 CSc1csc(n1)SC 62a_100000732701_200000210301 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.21 CSc1csc(n1)SC 62a_200000210301_100000732701 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.21 CSc1nc(cs1)C#N 62a_200000210301_100009819631 [1,1,0,0,0,0|1,0,1]=4 912 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [1,1,0,0,0,0|1,0,1]=4 913 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [1,1,0,0,0,0|1,0,1]=4 914 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [1,1,0,0,0,0|1,0,0]=3 916 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_100000732701_200025704644 [1,1,0,0,0,0|1,0,0]=3 917 B9R1.21 CSc1nc(cs1)S[13CH3] 62a_200025704644_100000732701 [1,1,0,0,0,0|1,0,0]=3 918 B9R1.21 CSc1nc(ns1)S[13CH3] 62a_200010005773_200025704644 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.21 CSc1nc(ns1)S[13CH3] 62a_200025704644_200010005773 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.21 CSc1nsc(n1)SC 62a_200000210301_200010005773 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.21 CSc1nsc(n1)SC 62a_200010005773_200000210301 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.21 [13CH3]Sc1csc(n1)C#N 62a_200025704644_100009819034 [1,1,0,0,0,0|1,0,1]=4 927 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_100009816814_200025704644 [1,1,0,0,0,0|1,0,1]=4 928 B9R1.21 [13CH3]Sc1csc(n1)C=O 62a_200025704644_100009816814 [1,1,0,0,0,0|1,0,1]=4 929 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_100012000107_200025704644 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_200025704644_100012000107 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.21 [13CH3]Sc1nc(cs1)C#N 62a_200025704644_100009819631 [1,1,0,0,0,0|1,0,1]=4 932 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [1,1,0,0,0,0|1,0,1]=4 933 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [1,1,0,0,0,0|1,0,1]=4 934 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [1,1,0,0,0,0|1,0,0]=3 935 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [1,1,0,0,0,0|1,0,0]=3 936 B9R1.22 CCc1nn(cc1O)C 271570a_203496583355_100012396458 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [1,1,0,0,0,0|0,0,2]=4 942 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [1,1,0,0,0,0|0,0,0]=2 943 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [1,1,0,0,0,0|1,0,0]=3 944 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [1,1,0,0,0,0|1,0,0]=3 947 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [1,1,0,0,0,0|1,0,0]=3 951 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,1,0,0,0,0|1,0,0]=3 953 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [1,1,0,0,0,0|0,0,0]=2 954 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [1,1,0,0,0,0|0,0,0]=2 955 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,1,0,0,0,0|1,0,1]=4 956 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,1,0,0,0,0|1,0,0]=3 958 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [1,1,0,0,0,0|1,0,0]=3 960 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [1,1,0,0,0,0|0,0,0]=2 961 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,1,0,0,0,0|1,1,0]=4 962 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [1,1,0,0,0,0|0,0,0]=2 963 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,1,0,0,0,0|1,1,0]=4 964 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,1,0,0,0,0|1,1,0]=4 965 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,1,0,0,0,0|1,0,0]=3 966 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,1,0,0,0,0|1,1,0]=4 967 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,1,0,0,0,0|1,0,0]=3 968 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,1,0,0,0,0|1,1,0]=4 969 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,1,0,0,0,0|1,1,0]=4 970 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [0,1,0,0,0,1|1,0,1]=4 972 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [0,1,0,0,0,1|1,0,1]=4 973 B11R1.3 C=Cc1cnc(nc1)C(C)C 271570a_100011290941_200009814916 [0,1,0,0,0,1|1,0,1]=4 974 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,1,0,0,0,1|2,0,0]=4 975 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,1,0,0,0,1|2,0,0]=4 976 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,1,0,0,0,1|2,0,0]=4 977 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,1,0,0,0,1|2,0,0]=4 978 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,1,0,0,0,1|2,0,0]=4 979 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,1,0,0,0,1|2,0,0]=4 980 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,1,0,0,0,1|2,0,0]=4 981 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [0,1,0,0,0,1|1,0,0]=3 982 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [0,1,0,0,0,1|1,0,0]=3 983 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [0,1,0,0,0,1|1,0,0]=3 984 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [0,1,0,0,0,1|1,0,0]=3 985 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_100000102307_200025704644 [0,1,0,0,0,1|2,0,0]=4 986 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_200025704644_100000102307 [0,1,0,0,0,1|2,0,0]=4 987 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200009814916_200025704644 [0,1,0,0,0,1|1,0,0]=3 988 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200025704644_200009814916 [0,1,0,0,0,1|1,0,0]=3 989 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [0,1,0,0,0,1|2,0,0]=4 990 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [0,1,0,0,0,1|2,0,0]=4 991 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,1,0,0,0,1|2,0,0]=4 992 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,1,0,0,0,1|2,0,0]=4 993 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [0,1,0,0,0,1|2,0,0]=4 994 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [0,1,0,0,0,1|2,0,0]=4 995 B11R1.3 CCc1cnc(nc1)N(C)C 27a_100102631434_100000033099 [0,1,0,0,0,1|2,0,0]=4 996 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_100011465347_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100011465347 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_100009992925_200025704644 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100009992925 [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.3 CN(C)c1ccc(nn1)S[13CH3] 62a_100000215273_200025704644 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.3 CN(C)c1ccc(nn1)S[13CH3] 62a_200025704644_100000215273 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.3 CN(C)c1cnc(cn1)CO 27a_100102631434_100012002382 [0,1,0,0,0,1|2,0,0]=4 1003 B11R1.3 CN(C)c1cnc(cn1)S[13CH3] 62a_100012356732_200025704644 [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.3 CN(C)c1cnc(cn1)S[13CH3] 62a_200025704644_100012356732 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.3 CN(C)c1ncc(cn1)CO 27a_100102631434_100009855073 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.3 CN(C)c1ncc(cn1)S[13CH3] 62a_100011934759_200025704644 [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.3 CN(C)c1ncc(cn1)S[13CH3] 62a_200025704644_100011934759 [0,1,0,0,0,1|2,0,0]=4 1008 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,1,0,0,0,1|2,0,0]=4 1009 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,1,0,0,0,1|2,0,0]=4 1010 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,1,0,0,0,1|2,0,0]=4 1011 B11R1.3 CNc1cnc(nc1)C(C)C 27a_100102657272_200009814916 [0,1,0,0,0,1|1,0,0]=3 1012 B11R1.3 CNc1ncc(cn1)C(C)C 27a_100102657272_100000102307 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.3 COc1ccc(nn1)N(C)C 27a_100102631434_100010231723 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.3 COc1cnc(nc1)N(C)C 27a_100102631434_100000069167 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,1,0,0,0,1|2,0,0]=4 1018 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,1,0,0,0,1|2,0,0]=4 1019 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [0,1,0,0,0,1|1,0,0]=3 1020 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [0,1,0,0,0,1|1,0,0]=3 1021 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.3 CSc1ccc(cn1)N(C)C 62a_100009992925_200000210301 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.3 CSc1ccc(cn1)N(C)C 62a_200000210301_100009992925 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [0,1,0,0,0,1|1,0,0]=3 1028 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [0,1,0,0,0,1|1,0,0]=3 1029 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1030 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [0,1,0,0,0,1|2,0,0]=4 1031 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1032 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,1,0,0,0,1|2,0,0]=4 1033 B11R1.3 CSc1ccc(nc1)N(C)C 27a_100102631434_100009820866 [0,1,0,0,0,1|2,0,0]=4 1034 B11R1.3 CSc1ccc(nc1)N(C)C 62a_100011465347_200000210301 [0,1,0,0,0,1|2,0,0]=4 1035 B11R1.3 CSc1ccc(nc1)N(C)C 62a_200000210301_100011465347 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.3 CSc1ccc(nn1)N(C)C 62a_100000215273_200000210301 [0,1,0,0,0,1|2,0,0]=4 1037 B11R1.3 CSc1ccc(nn1)N(C)C 62a_200000210301_100000215273 [0,1,0,0,0,1|2,0,0]=4 1038 B11R1.3 CSc1cnc(cn1)N(C)C 27a_100102631434_200012356277 [0,1,0,0,0,1|2,0,0]=4 1039 B11R1.3 CSc1cnc(cn1)N(C)C 62a_100012356732_200000210301 [0,1,0,0,0,1|2,0,0]=4 1040 B11R1.3 CSc1cnc(cn1)N(C)C 62a_200000210301_100012356732 [0,1,0,0,0,1|2,0,0]=4 1041 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200000210301_200009814916 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200009814916_200000210301 [0,1,0,0,0,1|1,0,0]=3 1043 B11R1.3 CSc1cnc(nc1)N(C)C 27a_100102631434_100000718988 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.3 CSc1cnc(nc1)N(C)C 62a_100011934759_200000210301 [0,1,0,0,0,1|2,0,0]=4 1045 B11R1.3 CSc1cnc(nc1)N(C)C 62a_200000210301_100011934759 [0,1,0,0,0,1|2,0,0]=4 1046 B11R1.3 CSc1ncc(cn1)C(C)C 62a_100000102307_200000210301 [0,1,0,0,0,1|2,0,0]=4 1047 B11R1.3 CSc1ncc(cn1)C(C)C 62a_200000210301_100000102307 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [0,1,0,0,0,1|2,0,0]=4 1049 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [0,1,0,0,0,1|2,0,0]=4 1050 B11R1.19 CC(C)(C)c1ccc(cn1)O 271570a_203496583355_100010245212 [0,1,0,0,0,1|2,0,0]=4 1051 B11R1.19 CC(C)(C)c1ccc(nc1)O 271570a_203496583355_100000686854 [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.19 CC(C)(O)c1ncc(cn1)O 271570a_203496583355_100010115376 [0,1,0,0,0,1|2,0,0]=4 1055 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.21 Cc1cnc(cc1F)N(C)C 27a_100102631434_100009841206 [0,1,0,0,0,1|2,0,0]=4 1057 B11R1.21 Cc1cnc(nc1N)N(C)C 27a_100102631434_100011996698 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.21 Cc1ncc(nc1C)N(C)C 27a_100102631434_100009878948 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1061 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1062 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,0,0,0,1|2,0,0]=4 1071 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,0,0,0,1|2,0,0]=4 1072 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,0,0,0,1|2,0,0]=4 1073 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,0,1|1,0,0]=3 1074 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,0,1|1,0,0]=3 1075 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,1|1,0,0]=3 1081 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,1|1,0,0]=3 1082 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,1|1,0,0]=3 1083 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [0,1,0,0,0,1|2,0,0]=4 1087 B11R1.22 CNC(C)c1ncc(cn1)Br 269862a_106832991636_100010077182 [0,1,0,0,0,1|2,0,0]=4 1088 B11R1.22 CNC(C)c1ncc(cn1)Br 270004a_106832991635_100010077182 [0,1,0,0,0,1|2,0,0]=4 1089 B11R1.22 CNC(C)c1ncc(cn1)F 269862a_106832991636_200009841639 [0,1,0,0,0,1|2,0,0]=4 1090 B11R1.22 CNC(C)c1ncc(cn1)F 270004a_106832991635_200009841639 [0,1,0,0,0,1|2,0,0]=4 1091 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,0,1|2,0,0]=4 1092 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,1|2,0,0]=4 1093 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,1|2,0,0]=4 1095 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1096 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1097 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,0,1|2,0,0]=4 1098 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,0,1|2,0,0]=4 1099 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,1|1,0,0]=3 1100 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,1|1,0,0]=3 1101 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,0,1|2,0,0]=4 1102 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,1|1,0,0]=3 1115 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,1|1,0,0]=3 1116 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,1|1,0,0]=3 1117 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,1|1,0,0]=3 1118 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,1,0,0,0,1|1,0,0]=3 1119 B11R1.39 C#CC(C)Nc1nc(ns1)C 27a_100000707721_100000709739 [0,1,0,0,0,1|1,0,1]=4 1120 B11R1.39 C#CC(C)Sc1cc(cs1)C 62a_200000035995_100009876951 [0,1,0,0,0,1|1,0,1]=4 1121 B11R1.39 C#CC(C)Sc1nc(c[nH]1)C 62a_200000035995_100161115468 [0,1,0,0,0,1|1,0,1]=4 1122 B11R1.39 C#CC(C)Sc1nc(cs1)Br 62a_200000035995_200016082925 [0,1,0,0,0,1|1,0,1]=4 1123 B11R1.39 C#CC(C)Sc1nc(cs1)C 62a_200000035995_100011291629 [0,1,0,0,0,1|0,0,1]=3 1124 B11R1.39 C#CC(C)Sc1nc(cs1)N 62a_200000035995_200015188442 [0,1,0,0,0,1|1,0,1]=4 1125 B11R1.39 C#CC(C)Sc1nc(ns1)C 62a_200000035995_100000709739 [0,1,0,0,0,1|1,0,1]=4 1126 B11R1.39 C=CC(C)Sc1cc(cs1)C 62a_100011215867_100009876951 [0,1,0,0,0,1|1,0,1]=4 1127 B11R1.39 C=CC(C)Sc1nc(c[nH]1)C 62a_100011215867_100161115468 [0,1,0,0,0,1|1,0,1]=4 1128 B11R1.39 C=CC(C)Sc1nc(cs1)Br 62a_100011215867_200016082925 [0,1,0,0,0,1|1,0,1]=4 1129 B11R1.39 C=CC(C)Sc1nc(cs1)C 62a_100011215867_100011291629 [0,1,0,0,0,1|0,0,1]=3 1130 B11R1.39 C=CC(C)Sc1nc(cs1)N 62a_100011215867_200015188442 [0,1,0,0,0,1|1,0,1]=4 1131 B11R1.39 C=CC(C)Sc1nc(ns1)C 62a_100011215867_100000709739 [0,1,0,0,0,1|1,0,1]=4 1132 B11R1.39 CC(=Cc1nc(cs1)C)C#N 6a_100000756994_200000212204 [0,1,0,0,0,1|0,0,2]=4 1133 B11R1.39 CC(C#N)Sc1nc(cs1)Br 62a_100000703298_200016082925 [0,1,0,0,0,1|1,0,1]=4 1134 B11R1.39 CC(C#N)Sc1nc(cs1)Br 62a_200016082925_100000703298 [0,1,0,0,0,1|1,0,1]=4 1135 B11R1.39 CC(C#N)Sc1nc(cs1)N 62a_100000703298_200015188442 [0,1,0,0,0,1|1,0,1]=4 1136 B11R1.39 CC(C#N)Sc1nc(cs1)N 62a_200015188442_100000703298 [0,1,0,0,0,1|1,0,1]=4 1137 B11R1.39 CC(CO)Oc1ccn(n1)C 34a_100012642153_100012180447 [0,1,0,0,0,1|2,0,0]=4 1138 B11R1.39 CC(CO)Sc1ccn(n1)C 62a_100012180447_100000752436 [0,1,0,0,0,1|2,0,0]=4 1139 B11R1.39 CC(CO)Sc1nc(cs1)Br 62a_100012180447_200016082925 [0,1,0,0,0,1|1,0,0]=3 1140 B11R1.39 CC(CO)Sc1nc(cs1)N 62a_100012180447_200015188442 [0,1,0,0,0,1|1,0,0]=3 1141 B11R1.39 CC(CO)Sc1ncn(n1)C 62a_100012180447_100009819955 [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.39 CCC(C)Cc1nc(no1)C 270196a_100000212224_100000708755 [0,1,0,0,0,1|1,1,0]=4 1143 B11R1.39 CCC(C)Oc1ccn(n1)C 34a_100012642153_100011215416 [0,1,0,0,0,1|2,0,0]=4 1144 B11R1.39 CCC(C)Sc1c[nH]c(n1)C 62a_100000758301_100009814057 [0,1,0,0,0,1|2,0,0]=4 1145 B11R1.39 CCC(C)Sc1c[nH]c(n1)C 62a_100009814057_100000758301 [0,1,0,0,0,1|2,0,0]=4 1146 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100000758301_100009876951 [0,1,0,0,0,1|1,0,0]=3 1147 B11R1.39 CCC(C)Sc1cc(cs1)C 62a_100009876951_100000758301 [0,1,0,0,0,1|1,0,0]=3 1148 B11R1.39 CCC(C)Sc1cc(ns1)C 62a_100000758301_100009815735 [0,1,0,0,0,1|2,0,0]=4 1149 B11R1.39 CCC(C)Sc1cc(ns1)C 62a_100009815735_100000758301 [0,1,0,0,0,1|2,0,0]=4 1150 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000031368_100000758301 [0,1,0,0,0,1|2,0,0]=4 1151 B11R1.39 CCC(C)Sc1ccc(s1)C 62a_100000758301_100000031368 [0,1,0,0,0,1|2,0,0]=4 1152 B11R1.39 CCC(C)Sc1ccn(n1)C 62a_100000752436_100000758301 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.39 CCC(C)Sc1ccn(n1)C 62a_100000758301_100000752436 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.39 CCC(C)Sc1csc(n1)C 62a_100000758301_100011934587 [0,1,0,0,0,1|2,0,0]=4 1155 B11R1.39 CCC(C)Sc1csc(n1)C 62a_100011934587_100000758301 [0,1,0,0,0,1|2,0,0]=4 1156 B11R1.39 CCC(C)Sc1n[nH]c(n1)C 62a_100000732540_100000758301 [0,1,0,0,0,1|2,0,0]=4 1157 B11R1.39 CCC(C)Sc1n[nH]c(n1)C 62a_100000758301_100000732540 [0,1,0,0,0,1|2,0,0]=4 1158 B11R1.39 CCC(C)Sc1nc(c[nH]1)C 62a_100000758301_100161115468 [0,1,0,0,0,1|1,0,0]=3 1159 B11R1.39 CCC(C)Sc1nc(c[nH]1)C 62a_100161115468_100000758301 [0,1,0,0,0,1|1,0,0]=3 1160 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_100000758301_200016082925 [0,1,0,0,0,1|1,0,0]=3 1161 B11R1.39 CCC(C)Sc1nc(cs1)Br 62a_200016082925_100000758301 [0,1,0,0,0,1|1,0,0]=3 1162 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100000758301_100011291629 [0,1,0,0,0,1|0,0,0]=2 1163 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100011291629_100000758301 [0,1,0,0,0,1|0,0,0]=2 1164 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_100000758301_200015188442 [0,1,0,0,0,1|1,0,0]=3 1165 B11R1.39 CCC(C)Sc1nc(cs1)N 62a_200015188442_100000758301 [0,1,0,0,0,1|1,0,0]=3 1166 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000709739_100000758301 [0,1,0,0,0,1|1,0,0]=3 1167 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000758301_100000709739 [0,1,0,0,0,1|1,0,0]=3 1168 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000690809_100000758301 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000758301_100000690809 [0,1,0,0,0,1|2,0,0]=4 1170 B11R1.39 CCC(C)Sc1ncn(n1)C 62a_100000758301_100009819955 [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.39 CCC(C)Sc1ncn(n1)C 62a_100009819955_100000758301 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.39 CCC(C)Sc1noc(n1)C 270196a_200000116978_100000070787 [0,1,0,0,0,1|2,0,0]=4 1173 B11R1.39 CCC(C)Sc1noc(n1)C 62a_100000758301_100012003639 [0,1,0,0,0,1|2,0,0]=4 1174 B11R1.39 CCC(C)Sc1noc(n1)C 62a_100012003639_100000758301 [0,1,0,0,0,1|2,0,0]=4 1175 B11R1.39 CCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210202 [0,1,0,0,0,1|2,0,0]=4 1176 B11R1.39 CCN(C)Cc1cc(cs1)C 269982a_100011502060_100000204670 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.39 CCN(C)Cc1nc(c[nH]1)C 2230a_100015186541_100000210202 [0,1,0,0,0,1|2,0,0]=4 1178 B11R1.39 CCN(C)Cc1nc(cs1)C 2230a_100000757614_100000210202 [0,1,0,0,0,1|1,0,0]=3 1179 B11R1.39 CCN(C)Cc1nc(cs1)C 269982a_100000757614_100000204670 [0,1,0,0,0,1|1,0,0]=3 1180 B11R1.39 CNC(=O)Cc1nc(cs1)C 1626a_100102657272_100000734950 [0,1,0,0,0,1|1,0,1]=4 1181 B11R1.39 CNC(=O)Cc1nc(cs1)C 240690a_100102657272_100000734950 [0,1,0,0,0,1|1,0,1]=4 1182 B11R1.39 COC(C)Sc1c[nH]c(n1)C 62a_100009814057_100009879195 [0,1,0,0,0,1|2,0,0]=4 1183 B11R1.39 COC(C)Sc1c[nH]c(n1)C 62a_100009879195_100009814057 [0,1,0,0,0,1|2,0,0]=4 1184 B11R1.39 COC(C)Sc1cc(cs1)C 62a_100009876951_100009879195 [0,1,0,0,0,1|1,0,0]=3 1185 B11R1.39 COC(C)Sc1cc(cs1)C 62a_100009879195_100009876951 [0,1,0,0,0,1|1,0,0]=3 1186 B11R1.39 COC(C)Sc1cc(ns1)C 62a_100009815735_100009879195 [0,1,0,0,0,1|2,0,0]=4 1187 B11R1.39 COC(C)Sc1cc(ns1)C 62a_100009879195_100009815735 [0,1,0,0,0,1|2,0,0]=4 1188 B11R1.39 COC(C)Sc1ccc(s1)C 62a_100000031368_100009879195 [0,1,0,0,0,1|2,0,0]=4 1189 B11R1.39 COC(C)Sc1ccc(s1)C 62a_100009879195_100000031368 [0,1,0,0,0,1|2,0,0]=4 1190 B11R1.39 COC(C)Sc1ccn(n1)C 62a_100000752436_100009879195 [0,1,0,0,0,1|2,0,0]=4 1191 B11R1.39 COC(C)Sc1ccn(n1)C 62a_100009879195_100000752436 [0,1,0,0,0,1|2,0,0]=4 1192 B11R1.39 COC(C)Sc1csc(n1)C 62a_100009879195_100011934587 [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.39 COC(C)Sc1csc(n1)C 62a_100011934587_100009879195 [0,1,0,0,0,1|2,0,0]=4 1194 B11R1.39 COC(C)Sc1n[nH]c(n1)C 62a_100000732540_100009879195 [0,1,0,0,0,1|2,0,0]=4 1195 B11R1.39 COC(C)Sc1n[nH]c(n1)C 62a_100009879195_100000732540 [0,1,0,0,0,1|2,0,0]=4 1196 B11R1.39 COC(C)Sc1nc(c[nH]1)C 62a_100009879195_100161115468 [0,1,0,0,0,1|1,0,0]=3 1197 B11R1.39 COC(C)Sc1nc(c[nH]1)C 62a_100161115468_100009879195 [0,1,0,0,0,1|1,0,0]=3 1198 B11R1.39 COC(C)Sc1nc(cs1)Br 62a_100009879195_200016082925 [0,1,0,0,0,1|1,0,0]=3 1199 B11R1.39 COC(C)Sc1nc(cs1)Br 62a_200016082925_100009879195 [0,1,0,0,0,1|1,0,0]=3 1200 B11R1.39 COC(C)Sc1nc(cs1)C 62a_100009879195_100011291629 [0,1,0,0,0,1|0,0,0]=2 1201 B11R1.39 COC(C)Sc1nc(cs1)C 62a_100011291629_100009879195 [0,1,0,0,0,1|0,0,0]=2 1202 B11R1.39 COC(C)Sc1nc(cs1)N 62a_100009879195_200015188442 [0,1,0,0,0,1|1,0,0]=3 1203 B11R1.39 COC(C)Sc1nc(cs1)N 62a_200015188442_100009879195 [0,1,0,0,0,1|1,0,0]=3 1204 B11R1.39 COC(C)Sc1nc(ns1)C 62a_100000709739_100009879195 [0,1,0,0,0,1|1,0,0]=3 1205 B11R1.39 COC(C)Sc1nc(ns1)C 62a_100009879195_100000709739 [0,1,0,0,0,1|1,0,0]=3 1206 B11R1.39 COC(C)Sc1ncc(s1)C 62a_100000690809_100009879195 [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.39 COC(C)Sc1ncc(s1)C 62a_100009879195_100000690809 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.39 COC(C)Sc1ncn(n1)C 62a_100009819955_100009879195 [0,1,0,0,0,1|2,0,0]=4 1209 B11R1.39 COC(C)Sc1ncn(n1)C 62a_100009879195_100009819955 [0,1,0,0,0,1|2,0,0]=4 1210 B11R1.39 COC(C)Sc1noc(n1)C 62a_100009879195_100012003639 [0,1,0,0,0,1|2,0,0]=4 1211 B11R1.39 COC(C)Sc1noc(n1)C 62a_100012003639_100009879195 [0,1,0,0,0,1|2,0,0]=4 1212 B11R1.39 C[C@H](CO)Sc1ccn(n1)C 62a_100000752436_100016084084 [0,1,0,0,0,1|2,0,0]=4 1213 B11R1.39 C[C@H](CO)Sc1ccn(n1)C 62a_100016084084_100000752436 [0,1,0,0,0,1|2,0,0]=4 1214 B11R1.39 C[C@H](CO)Sc1nc(cs1)Br 62a_100016084084_200016082925 [0,1,0,0,0,1|1,0,0]=3 1215 B11R1.39 C[C@H](CO)Sc1nc(cs1)Br 62a_200016082925_100016084084 [0,1,0,0,0,1|1,0,0]=3 1216 B11R1.39 C[C@H](CO)Sc1nc(cs1)N 62a_100016084084_200015188442 [0,1,0,0,0,1|1,0,0]=3 1217 B11R1.39 C[C@H](CO)Sc1nc(cs1)N 62a_200015188442_100016084084 [0,1,0,0,0,1|1,0,0]=3 1218 B11R1.39 C[C@H](CO)Sc1ncn(n1)C 62a_100009819955_100016084084 [0,1,0,0,0,1|2,0,0]=4 1219 B11R1.39 C[C@H](CO)Sc1ncn(n1)C 62a_100016084084_100009819955 [0,1,0,0,0,1|2,0,0]=4 1220 B11R1.39 Cc1c[nH]c(n1)SC(C)C#N 62a_100000703298_100161115468 [0,1,0,0,0,1|1,0,1]=4 1221 B11R1.39 Cc1c[nH]c(n1)SC(C)C#N 62a_100161115468_100000703298 [0,1,0,0,0,1|1,0,1]=4 1222 B11R1.39 Cc1c[nH]c(n1)SC(C)CO 62a_100012180447_100161115468 [0,1,0,0,0,1|1,0,0]=3 1223 B11R1.39 Cc1c[nH]c(n1)S[C@H](C)CO 62a_100016084084_100161115468 [0,1,0,0,0,1|1,0,0]=3 1224 B11R1.39 Cc1c[nH]c(n1)S[C@H](C)CO 62a_100161115468_100016084084 [0,1,0,0,0,1|1,0,0]=3 1225 B11R1.39 Cc1cc(sn1)SC(C)CO 62a_100012180447_100009815735 [0,1,0,0,0,1|2,0,0]=4 1226 B11R1.39 Cc1cc(sn1)S[C@H](C)CO 62a_100009815735_100016084084 [0,1,0,0,0,1|2,0,0]=4 1227 B11R1.39 Cc1cc(sn1)S[C@H](C)CO 62a_100016084084_100009815735 [0,1,0,0,0,1|2,0,0]=4 1228 B11R1.39 Cc1ccc(s1)SC(C)CO 62a_100012180447_100000031368 [0,1,0,0,0,1|2,0,0]=4 1229 B11R1.39 Cc1ccc(s1)S[C@H](C)CO 62a_100000031368_100016084084 [0,1,0,0,0,1|2,0,0]=4 1230 B11R1.39 Cc1ccc(s1)S[C@H](C)CO 62a_100016084084_100000031368 [0,1,0,0,0,1|2,0,0]=4 1231 B11R1.39 Cc1cnc(s1)SC(C)CO 62a_100012180447_100000690809 [0,1,0,0,0,1|2,0,0]=4 1232 B11R1.39 Cc1cnc(s1)S[C@H](C)CO 62a_100000690809_100016084084 [0,1,0,0,0,1|2,0,0]=4 1233 B11R1.39 Cc1cnc(s1)S[C@H](C)CO 62a_100016084084_100000690809 [0,1,0,0,0,1|2,0,0]=4 1234 B11R1.39 Cc1csc(c1)CN(C)CF 269982a_100011502060_100015361967 [0,1,0,0,0,1|2,0,0]=4 1235 B11R1.39 Cc1csc(c1)SC(C)C#N 62a_100000703298_100009876951 [0,1,0,0,0,1|1,0,1]=4 1236 B11R1.39 Cc1csc(c1)SC(C)C#N 62a_100009876951_100000703298 [0,1,0,0,0,1|1,0,1]=4 1237 B11R1.39 Cc1csc(c1)SC(C)CO 62a_100012180447_100009876951 [0,1,0,0,0,1|1,0,0]=3 1238 B11R1.39 Cc1csc(c1)S[C@H](C)CO 62a_100009876951_100016084084 [0,1,0,0,0,1|1,0,0]=3 1239 B11R1.39 Cc1csc(c1)S[C@H](C)CO 62a_100016084084_100009876951 [0,1,0,0,0,1|1,0,0]=3 1240 B11R1.39 Cc1csc(n1)CN(C)CF 269982a_100000757614_100015361967 [0,1,0,0,0,1|1,0,0]=3 1241 B11R1.39 Cc1csc(n1)SC(C)C#N 62a_100000703298_100011291629 [0,1,0,0,0,1|0,0,1]=3 1242 B11R1.39 Cc1csc(n1)SC(C)C#N 62a_100011291629_100000703298 [0,1,0,0,0,1|0,0,1]=3 1243 B11R1.39 Cc1csc(n1)SC(C)CO 62a_100012180447_100011291629 [0,1,0,0,0,1|0,0,0]=2 1244 B11R1.39 Cc1csc(n1)SC(F)C#N 62a_100011291629_200000117898 [0,1,0,0,0,1|1,0,1]=4 1245 B11R1.39 Cc1csc(n1)SC(F)C#N 62a_200000117898_100011291629 [0,1,0,0,0,1|1,0,1]=4 1246 B11R1.39 Cc1csc(n1)S[C@H](C)CO 62a_100011291629_100016084084 [0,1,0,0,0,1|0,0,0]=2 1247 B11R1.39 Cc1csc(n1)S[C@H](C)CO 62a_100016084084_100011291629 [0,1,0,0,0,1|0,0,0]=2 1248 B11R1.39 Cc1nc(c[nH]1)SC(C)CO 62a_100012180447_100009814057 [0,1,0,0,0,1|2,0,0]=4 1249 B11R1.39 Cc1nc(c[nH]1)S[C@H](C)CO 62a_100009814057_100016084084 [0,1,0,0,0,1|2,0,0]=4 1250 B11R1.39 Cc1nc(c[nH]1)S[C@H](C)CO 62a_100016084084_100009814057 [0,1,0,0,0,1|2,0,0]=4 1251 B11R1.39 Cc1nc(cs1)SC(C)CO 62a_100012180447_100011934587 [0,1,0,0,0,1|2,0,0]=4 1252 B11R1.39 Cc1nc(cs1)S[C@H](C)CO 62a_100011934587_100016084084 [0,1,0,0,0,1|2,0,0]=4 1253 B11R1.39 Cc1nc(cs1)S[C@H](C)CO 62a_100016084084_100011934587 [0,1,0,0,0,1|2,0,0]=4 1254 B11R1.39 Cc1nc(n[nH]1)SC(C)CO 62a_100012180447_100000732540 [0,1,0,0,0,1|2,0,0]=4 1255 B11R1.39 Cc1nc(n[nH]1)S[C@H](C)CO 62a_100000732540_100016084084 [0,1,0,0,0,1|2,0,0]=4 1256 B11R1.39 Cc1nc(n[nH]1)S[C@H](C)CO 62a_100016084084_100000732540 [0,1,0,0,0,1|2,0,0]=4 1257 B11R1.39 Cc1nc(no1)N[C@H](C)CF 27a_100102880703_100012003639 [0,1,0,0,0,1|2,0,0]=4 1258 B11R1.39 Cc1nc(no1)N[C@H](C)CO 27a_100000737577_100012003639 [0,1,0,0,0,1|2,0,0]=4 1259 B11R1.39 Cc1nc(no1)SC(C)CO 62a_100012180447_100012003639 [0,1,0,0,0,1|2,0,0]=4 1260 B11R1.39 Cc1nc(no1)S[C@H](C)CO 62a_100012003639_100016084084 [0,1,0,0,0,1|2,0,0]=4 1261 B11R1.39 Cc1nc(no1)S[C@H](C)CO 62a_100016084084_100012003639 [0,1,0,0,0,1|2,0,0]=4 1262 B11R1.39 Cc1nsc(n1)N[C@H](C)CF 27a_100102880703_100000709739 [0,1,0,0,0,1|1,0,0]=3 1263 B11R1.39 Cc1nsc(n1)N[C@H](C)CO 27a_100000737577_100000709739 [0,1,0,0,0,1|1,0,0]=3 1264 B11R1.39 Cc1nsc(n1)SC(C)C#N 62a_100000703298_100000709739 [0,1,0,0,0,1|1,0,1]=4 1265 B11R1.39 Cc1nsc(n1)SC(C)C#N 62a_100000709739_100000703298 [0,1,0,0,0,1|1,0,1]=4 1266 B11R1.39 Cc1nsc(n1)SC(C)CO 62a_100012180447_100000709739 [0,1,0,0,0,1|1,0,0]=3 1267 B11R1.39 Cc1nsc(n1)S[C@H](C)CO 62a_100000709739_100016084084 [0,1,0,0,0,1|1,0,0]=3 1268 B11R1.39 Cc1nsc(n1)S[C@H](C)CO 62a_100016084084_100000709739 [0,1,0,0,0,1|1,0,0]=3 1269 B11R1.43 CC(=Cc1nc(cs1)C#N)C 271570a_100102525489_100009819631 [0,1,0,0,0,1|0,0,2]=4 1270 B11R1.43 CC(=Cc1nc(cs1)C=O)C 271570a_100102525489_100009816748 [0,1,0,0,0,1|0,0,2]=4 1271 B11R1.43 CC(=Cc1nc(cs1)CO)C 271570a_100102525489_100009816749 [0,1,0,0,0,1|0,0,1]=3 1272 B11R1.43 CC(C)Cc1nc(no1)CF 270196a_200000032654_100000210554 [0,1,0,0,0,1|1,1,0]=4 1273 B11R1.43 CC(C)Cc1noc(n1)CO 270196a_100000210173_100000210174 [0,1,0,0,0,1|2,0,0]=4 1274 B11R1.43 CC(C)Nc1nc(cs1)C#N 27a_100138425928_100009819631 [0,1,0,0,0,1|0,0,1]=3 1275 B11R1.43 CC(C)Oc1ncc(s1)S[13CH3] 62a_100010238083_200025704644 [0,1,0,0,0,1|2,0,0]=4 1276 B11R1.43 CC(C)Oc1ncc(s1)S[13CH3] 62a_200025704644_100010238083 [0,1,0,0,0,1|2,0,0]=4 1277 B11R1.43 CC(C)Sc1cc(cs1)C=O 62a_100000210206_100000737087 [0,1,0,0,0,1|1,0,1]=4 1278 B11R1.43 CC(C)Sc1cc(cs1)C=O 62a_100000737087_100000210206 [0,1,0,0,0,1|1,0,1]=4 1279 B11R1.43 CC(C)Sc1ccc(o1)CN 62a_100000210206_100000708654 [0,1,0,0,0,1|2,0,0]=4 1280 B11R1.43 CC(C)Sc1ccc(o1)CO 62a_100000210206_100000246276 [0,1,0,0,0,1|2,0,0]=4 1281 B11R1.43 CC(C)Sc1ccc(o1)CO 62a_100000246276_100000210206 [0,1,0,0,0,1|2,0,0]=4 1282 B11R1.43 CC(C)Sc1ccc(s1)CN 62a_100000210206_100000737305 [0,1,0,0,0,1|2,0,0]=4 1283 B11R1.43 CC(C)Sc1ccc(s1)CN 62a_100000737305_100000210206 [0,1,0,0,0,1|2,0,0]=4 1284 B11R1.43 CC(C)Sc1ccc(s1)CO 62a_100000210206_100000246291 [0,1,0,0,0,1|2,0,0]=4 1285 B11R1.43 CC(C)Sc1ccc(s1)CO 62a_100000246291_100000210206 [0,1,0,0,0,1|2,0,0]=4 1286 B11R1.43 CC(C)Sc1csc(n1)CO 62a_100000210206_100012000107 [0,1,0,0,0,1|2,0,0]=4 1287 B11R1.43 CC(C)Sc1csc(n1)CO 62a_100012000107_100000210206 [0,1,0,0,0,1|2,0,0]=4 1288 B11R1.43 CC(C)Sc1nc(cs1)C#N 62a_100000210206_100009819631 [0,1,0,0,0,1|0,0,1]=3 1289 B11R1.43 CC(C)Sc1nc(cs1)C=O 62a_100000210206_100009816748 [0,1,0,0,0,1|0,0,1]=3 1290 B11R1.43 CC(C)Sc1nc(cs1)C=O 62a_100009816748_100000210206 [0,1,0,0,0,1|0,0,1]=3 1291 B11R1.43 CC(C)Sc1nc(cs1)CO 62a_100000210206_100009816749 [0,1,0,0,0,1|0,0,0]=2 1292 B11R1.43 CC(C)Sc1nc(cs1)CO 62a_100009816749_100000210206 [0,1,0,0,0,1|0,0,0]=2 1293 B11R1.43 CC(C)Sc1ncc(s1)CN 62a_100000210206_100000726991 [0,1,0,0,0,1|2,0,0]=4 1294 B11R1.43 CC(C)Sc1ncc(s1)CN 62a_100000726991_100000210206 [0,1,0,0,0,1|2,0,0]=4 1295 B11R1.43 CC(C)Sc1ncc(s1)CO 62a_100000210206_100009816753 [0,1,0,0,0,1|2,0,0]=4 1296 B11R1.43 CC(C)Sc1ncc(s1)CO 62a_100009816753_100000210206 [0,1,0,0,0,1|2,0,0]=4 1297 B11R1.43 CCc1ccc(s1)SC(C)C 62a_100000210206_100009844052 [0,1,0,0,0,1|2,0,0]=4 1298 B11R1.43 CCc1ccc(s1)SC(C)C 62a_100009844052_100000210206 [0,1,0,0,0,1|2,0,0]=4 1299 B11R1.43 CCc1nc(no1)CC(C)C 270196a_100000210173_100000210414 [0,1,0,0,0,1|2,0,0]=4 1300 B11R1.43 CCc1nc(no1)NC(C)C 27a_100138425928_100012003642 [0,1,0,0,0,1|2,0,0]=4 1301 B11R1.43 CCc1nc(no1)SC(C)C 62a_100000210206_100012003642 [0,1,0,0,0,1|2,0,0]=4 1302 B11R1.43 CCc1nc(no1)SC(C)C 62a_100012003642_100000210206 [0,1,0,0,0,1|2,0,0]=4 1303 B11R1.43 CCc1noc(n1)CC(C)C 270196a_200000212204_100000210554 [0,1,0,0,0,1|1,1,0]=4 1304 B11R1.43 CCn1ccc(n1)SC(C)C 62a_100000210206_100012350556 [0,1,0,0,0,1|2,0,0]=4 1305 B11R1.43 CCn1ccc(n1)SC(C)C 62a_100012350556_100000210206 [0,1,0,0,0,1|2,0,0]=4 1306 B11R1.43 COc1nc(cs1)SC(C)C 62a_100000210206_100000727839 [0,1,0,0,0,1|2,0,0]=4 1307 B11R1.43 COc1nc(cs1)SC(C)C 62a_100000727839_100000210206 [0,1,0,0,0,1|2,0,0]=4 1308 B11R1.43 CSc1cnc(s1)OC(C)C 62a_100010238083_200000210301 [0,1,0,0,0,1|2,0,0]=4 1309 B11R1.43 CSc1cnc(s1)OC(C)C 62a_200000210301_100010238083 [0,1,0,0,0,1|2,0,0]=4 1310 B11R1.43 CSc1nc(cs1)SC(C)C 62a_100000210206_100000732701 [0,1,0,0,0,1|2,0,0]=4 1311 B11R1.43 CSc1nc(cs1)SC(C)C 62a_100000732701_100000210206 [0,1,0,0,0,1|2,0,0]=4 1312 B11R1.43 CSc1nc(ns1)NC(C)C 27a_100138425928_200010005773 [0,1,0,0,0,1|2,0,0]=4 1313 B11R1.43 CSc1nc(ns1)SC(C)C 62a_100000210206_200010005773 [0,1,0,0,0,1|2,0,0]=4 1314 B11R1.43 CSc1nc(ns1)SC(C)C 62a_200010005773_100000210206 [0,1,0,0,0,1|2,0,0]=4 1315 B11R1.76 CC(C)(C)Sc1nc(cs1)Br 62a_100000211941_200016082925 [0,1,0,0,0,1|1,0,0]=3 1316 B11R1.76 CC(C)(C)Sc1nc(cs1)Br 62a_200016082925_100000211941 [0,1,0,0,0,1|1,0,0]=3 1317 B11R1.76 CC(C)(C)Sc1nc(cs1)N 62a_100000211941_200015188442 [0,1,0,0,0,1|1,0,0]=3 1318 B11R1.76 CC(C)(C)Sc1nc(cs1)N 62a_200015188442_100000211941 [0,1,0,0,0,1|1,0,0]=3 1319 B11R1.76 Cc1c[nH]c(n1)SC(C)(C)C 62a_100000211941_100161115468 [0,1,0,0,0,1|1,0,0]=3 1320 B11R1.76 Cc1c[nH]c(n1)SC(C)(C)C 62a_100161115468_100000211941 [0,1,0,0,0,1|1,0,0]=3 1321 B11R1.76 Cc1cc(sn1)SC(C)(C)C 62a_100000211941_100009815735 [0,1,0,0,0,1|2,0,0]=4 1322 B11R1.76 Cc1cc(sn1)SC(C)(C)C 62a_100009815735_100000211941 [0,1,0,0,0,1|2,0,0]=4 1323 B11R1.76 Cc1ccc(s1)SC(C)(C)C 62a_100000031368_100000211941 [0,1,0,0,0,1|2,0,0]=4 1324 B11R1.76 Cc1ccc(s1)SC(C)(C)C 62a_100000211941_100000031368 [0,1,0,0,0,1|2,0,0]=4 1325 B11R1.76 Cc1cnc(s1)SC(C)(C)C 62a_100000211941_100000690809 [0,1,0,0,0,1|2,0,0]=4 1326 B11R1.76 Cc1cnc(s1)SC(C)(C)C 62a_100000690809_100000211941 [0,1,0,0,0,1|2,0,0]=4 1327 B11R1.76 Cc1csc(c1)SC(C)(C)C 62a_100000211941_100009876951 [0,1,0,0,0,1|1,0,0]=3 1328 B11R1.76 Cc1csc(c1)SC(C)(C)C 62a_100009876951_100000211941 [0,1,0,0,0,1|1,0,0]=3 1329 B11R1.76 Cc1csc(n1)SC(C)(C)C 62a_100000211941_100011291629 [0,1,0,0,0,1|0,0,0]=2 1330 B11R1.76 Cc1csc(n1)SC(C)(C)C 62a_100011291629_100000211941 [0,1,0,0,0,1|0,0,0]=2 1331 B11R1.76 Cc1csc(n1)SC(F)(F)F 62a_100011291629_200103152311 [0,1,0,0,0,1|2,0,0]=4 1332 B11R1.76 Cc1csc(n1)SC(F)(F)F 62a_200000243211_100011291629 [0,1,0,0,0,1|2,0,0]=4 1333 B11R1.76 Cc1nc(c[nH]1)SC(C)(C)C 62a_100000211941_100009814057 [0,1,0,0,0,1|2,0,0]=4 1334 B11R1.76 Cc1nc(c[nH]1)SC(C)(C)C 62a_100009814057_100000211941 [0,1,0,0,0,1|2,0,0]=4 1335 B11R1.76 Cc1nc(cs1)SC(C)(C)C 62a_100000211941_100011934587 [0,1,0,0,0,1|2,0,0]=4 1336 B11R1.76 Cc1nc(cs1)SC(C)(C)C 62a_100011934587_100000211941 [0,1,0,0,0,1|2,0,0]=4 1337 B11R1.76 Cc1nc(n[nH]1)SC(C)(C)C 62a_100000211941_100000732540 [0,1,0,0,0,1|2,0,0]=4 1338 B11R1.76 Cc1nc(n[nH]1)SC(C)(C)C 62a_100000732540_100000211941 [0,1,0,0,0,1|2,0,0]=4 1339 B11R1.76 Cc1nc(no1)CC(C)(C)C 270196a_100000754700_100000070787 [0,1,0,0,0,1|2,0,0]=4 1340 B11R1.76 Cc1nc(no1)SC(C)(C)C 62a_100000211941_100012003639 [0,1,0,0,0,1|2,0,0]=4 1341 B11R1.76 Cc1nc(no1)SC(C)(C)C 62a_100012003639_100000211941 [0,1,0,0,0,1|2,0,0]=4 1342 B11R1.76 Cc1noc(n1)CC(C)(C)C 270196a_100000212224_100000211214 [0,1,0,0,0,1|1,1,0]=4 1343 B11R1.76 Cc1noc(n1)CC(C)(C)O 270196a_100000212224_100000693243 [0,1,0,0,0,1|1,1,0]=4 1344 B11R1.76 Cc1nsc(n1)SC(C)(C)C 62a_100000211941_100000709739 [0,1,0,0,0,1|1,0,0]=3 1345 B11R1.76 Cc1nsc(n1)SC(C)(C)C 62a_100000709739_100000211941 [0,1,0,0,0,1|1,0,0]=3 1346 B11R1.76 Cn1ccc(n1)OC(C)(C)C 34a_100012642153_100000210625 [0,1,0,0,0,1|2,0,0]=4 1347 B11R1.76 Cn1ccc(n1)SC(C)(C)C 62a_100000211941_100000752436 [0,1,0,0,0,1|2,0,0]=4 1348 B11R1.76 Cn1ccc(n1)SC(C)(C)C 62a_100000752436_100000211941 [0,1,0,0,0,1|2,0,0]=4 1349 B11R1.76 Cn1cnc(n1)SC(C)(C)C 62a_100000211941_100009819955 [0,1,0,0,0,1|2,0,0]=4 1350 B11R1.76 Cn1cnc(n1)SC(C)(C)C 62a_100009819955_100000211941 [0,1,0,0,0,1|2,0,0]=4 1351 B11R1.80 CC(=Cc1cc(c(s1)C)C)C 271570a_100102525489_100009850898 [0,1,0,0,0,1|1,0,1]=4 1352 B11R1.80 CC(=Cc1nc(c(s1)C)C)C 271570a_100102525489_100000765934 [0,1,0,0,0,1|0,0,1]=3 1353 B11R1.80 CC(=O)Cc1nc(c(s1)C)C 1458a_100000070787_100000763442 [0,1,0,0,0,1|1,0,1]=4 1354 B11R1.80 CC(=O)Nc1nc(c(s1)O)C 271570a_203496583355_200010003082 [0,1,0,0,0,1|1,0,1]=4 1355 B11R1.80 CC(C)Sc1cc(n(n1)C)N 62a_100000210206_100000734454 [0,1,0,0,0,1|2,0,0]=4 1356 B11R1.80 CC(C)Sc1cc(n(n1)C)N 62a_100000734454_100000210206 [0,1,0,0,0,1|2,0,0]=4 1357 B11R1.80 CC(C)Sc1nc(n(n1)C)N 62a_100000210206_200010296169 [0,1,0,0,0,1|2,0,0]=4 1358 B11R1.80 CC(C)Sc1nc(n(n1)C)N 62a_200010296169_100000210206 [0,1,0,0,0,1|2,0,0]=4 1359 B11R1.80 Cc1cc(nn1C)SC(C)C 62a_100000210206_100012001299 [0,1,0,0,0,1|2,0,0]=4 1360 B11R1.80 Cc1cc(nn1C)SC(C)C 62a_100012001299_100000210206 [0,1,0,0,0,1|2,0,0]=4 1361 B11R1.80 Cc1cc(sc1Br)CN(C)C 270004a_100102631434_100000761930 [0,1,0,0,0,1|2,0,0]=4 1362 B11R1.80 Cc1cc(sc1C)CN(C)C 270004a_100102631434_100011830369 [0,1,0,0,0,1|2,0,0]=4 1363 B11R1.80 Cc1cc(sc1C)SC(C)C 62a_100000210206_100009850898 [0,1,0,0,0,1|1,0,0]=3 1364 B11R1.80 Cc1cc(sc1C)SC(C)C 62a_100009850898_100000210206 [0,1,0,0,0,1|1,0,0]=3 1365 B11R1.80 Cc1nc(cn1C)SC(C)C 62a_100000210206_100000684932 [0,1,0,0,0,1|2,0,0]=4 1366 B11R1.80 Cc1nc(cn1C)SC(C)C 62a_100000684932_100000210206 [0,1,0,0,0,1|2,0,0]=4 1367 B11R1.80 Cc1nc(sc1C)CN(C)C 2230a_100102631434_100012347604 [0,1,0,0,0,1|1,0,0]=3 1368 B11R1.80 Cc1nc(sc1C)CN(C)C 269982a_100102631434_100012347604 [0,1,0,0,0,1|1,0,0]=3 1369 B11R1.80 Cc1nc(sc1C)CN(C)C 270004a_100102631434_100011775437 [0,1,0,0,0,1|1,0,0]=3 1370 B11R1.80 Cc1nc(sc1C)NC(C)C 27a_100138425928_100000765934 [0,1,0,0,0,1|0,0,0]=2 1371 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000210206_100000765934 [0,1,0,0,0,1|0,0,0]=2 1372 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000765934_100000210206 [0,1,0,0,0,1|0,0,0]=2 1373 B11R1.313 Cc1cnc(n1C)SC(C)C 62a_100000210206_100009816807 [0,1,0,0,0,1|1,0,1]=4 1374 B11R1.313 Cc1cnc(n1C)SC(C)C 62a_100009816807_100000210206 [0,1,0,0,0,1|1,0,1]=4 1375 B11R1.314 CC(=C(C)c1cc(cs1)C)C 271570a_200000049429_100009876951 [0,1,0,0,0,1|1,0,1]=4 1376 B11R1.314 CC(=C(C)c1nc(c[nH]1)C)C 271570a_200000049429_100161115468 [0,1,0,0,0,1|1,0,1]=4 1377 B11R1.314 CC(=C(C)c1nc(cs1)Br)C 271570a_200000049429_200016082925 [0,1,0,0,0,1|1,0,1]=4 1378 B11R1.314 CC(=C(C)c1nc(cs1)C)C 271570a_200000049429_100011291629 [0,1,0,0,0,1|0,0,1]=3 1379 B11R1.314 CC(=C(C)c1nc(cs1)N)C 271570a_200000049429_200015188442 [0,1,0,0,0,1|1,0,1]=4 1380 B11R1.314 CC(=C(C)c1nc(ns1)C)C 271570a_200000049429_100000709739 [0,1,0,0,0,1|1,0,1]=4 1381 B11R1.314 Cc1coc(n1)C(C)N(C)C 270004a_100102631434_100009826828 [0,1,0,0,0,1|1,1,0]=4 1382 B11R1.314 Cc1nc(no1)N(C)C(C)C 27a_200000211004_100012003639 [0,1,0,0,0,1|2,0,0]=4 1383 B11R1.314 Cc1noc(n1)C(C)C(C)C 270196a_100000212224_100000755409 [0,1,0,0,0,1|1,1,0]=4 1384 B11R1.314 Cc1noc(n1)[C@H](O)C(C)C 270196a_100000212224_100000691806 [0,1,0,0,0,1|1,1,0]=4 1385 B11R1.314 Cc1nsc(n1)N(C)C(C)C 27a_200000211004_100000709739 [0,1,0,0,0,1|1,0,0]=3 1386 B11R1.645 CC(=Cc1nc(cn1C)C)C 271570a_100102525489_100009816808 [0,1,0,0,0,1|1,0,1]=4 1387 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000210206_100000689295 [0,1,0,0,0,1|2,0,0]=4 1388 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000689295_100000210206 [0,1,0,0,0,1|2,0,0]=4 1389 B11R1.645 Cc1cn(c(n1)SC(C)C)C 62a_100000210206_100009816808 [0,1,0,0,0,1|1,0,0]=3 1390 B11R1.645 Cc1cn(c(n1)SC(C)C)C 62a_100009816808_100000210206 [0,1,0,0,0,1|1,0,0]=3 1391 B11R1.645 Cc1cn(nc1SC(C)C)C 62a_100000210206_100011072604 [0,1,0,0,0,1|2,0,0]=4 1392 B11R1.645 Cc1cn(nc1SC(C)C)C 62a_100011072604_100000210206 [0,1,0,0,0,1|2,0,0]=4 1393 B11R1.645 Cc1nc(c([nH]1)C)SC(C)C 62a_100000210206_200009820778 [0,1,0,0,0,1|2,0,0]=4 1394 B11R1.645 Cc1nc(c([nH]1)C)SC(C)C 62a_200009820778_100000210206 [0,1,0,0,0,1|2,0,0]=4 1395 B11R1.645 Cc1nc(c(s1)C)SC(C)C 62a_100000210206_100010270876 [0,1,0,0,0,1|2,0,0]=4 1396 B11R1.645 Cc1nc(c(s1)C)SC(C)C 62a_100010270876_100000210206 [0,1,0,0,0,1|2,0,0]=4 1397 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,0,0,0,1|2,0,0]=4 1398 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,0,0,0,1|2,0,0]=4 1399 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,0,1|2,0,0]=4 1400 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,0,1|2,0,0]=4 1401 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,0,1|2,0,0]=4 1402 B11R1.23 CNC(C)c1cc(ncn1)C 269862a_106832991636_100000092262 [0,1,0,0,0,1|2,0,0]=4 1403 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,0,1|2,0,0]=4 1404 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,0,0,0,1|2,0,0]=4 1405 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,0,0,0,1|2,0,0]=4 1406 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,0,1|1,0,0]=3 1407 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,0,1|1,0,0]=3 1408 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,0,0,0,1|2,0,0]=4 1409 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,0,0,0,1|2,0,0]=4 1410 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [0,1,0,0,0,1|2,0,0]=4 1411 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,0,1|2,0,0]=4 1412 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,0,0,0,1|2,0,0]=4 1413 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,0,0,0,1|2,0,0]=4 1414 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,0,1|2,0,0]=4 1415 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,0,1|2,0,0]=4 1416 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,0,1|2,0,0]=4 1417 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,0,1|2,0,0]=4 1418 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,0,0,0,1|2,0,0]=4 1419 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,0,1|1,0,0]=3 1420 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,0,1|1,0,0]=3 1421 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,0,0,0,1|2,0,0]=4 1422 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,0,0,0,1|2,0,0]=4 1423 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,0,1|2,0,0]=4 1424 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,0,1|2,0,0]=4 1425 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,0,1|2,0,0]=4 1426 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,0,1|2,0,0]=4 1427 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,0,1|1,0,0]=3 1428 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,0,1|1,0,0]=3 1429 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,0,1|1,0,0]=3 1430 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,0,1|2,0,0]=4 1431 B11R1.74 CC(C)c1cc(nc(n1)N)O 271570a_203496583355_100000040643 [0,1,0,0,0,1|2,0,0]=4 1432 B11R1.74 Cc1cc(nc(c1)N(C)C)C 27a_100102631434_100000069240 [0,1,0,0,0,1|2,0,0]=4 1433 B11R1.74 Cc1cc(nc(n1)C(C)C)O 271570a_203496583355_100000217492 [0,1,0,0,0,1|1,0,0]=3 1434 B11R1.74 Cc1cc(nc(n1)C)N(C)C 27a_100102631434_100000736142 [0,1,0,0,0,1|2,0,0]=4 1435 B11R1.74 Cc1cc(nc(n1)N(C)C)C 27a_100102631434_100000736147 [0,1,0,0,0,1|2,0,0]=4 1436 B11R1.74 Cc1cc(nc(n1)N(C)C)N 27a_100102631434_100000687285 [0,1,0,0,0,1|2,0,0]=4 1437 B11R1.74 Cc1cc(nc(n1)N(C)C)O 271570a_203496583355_100011439838 [0,1,0,0,0,1|2,0,0]=4 1438 B11R1.74 Cc1nc(cc(n1)C(C)C)O 271570a_203496583355_100011315409 [0,1,0,0,0,1|1,0,0]=3 1439 B11R1.74 Cc1nc(cc(n1)N(C)C)N 27a_100102631434_100000761517 [0,1,0,0,0,1|2,0,0]=4 1440 B11R1.74 Cc1nc(cc(n1)N(C)C)O 271570a_203496583355_200011686424 [0,1,0,0,0,1|2,0,0]=4 1441 B11R1.74 Cc1nc(cc(n1)N(C)C)O 27a_100102631434_106741647437 [0,1,0,0,0,1|2,0,0]=4 1442 B11R1.74 Cc1nc(nc(n1)N(C)C)C 27a_100102631434_100015468570 [0,1,0,0,0,1|2,0,0]=4 1443 B11R1.74 Cc1nc(nc(n1)N(C)C)N 27a_100102631434_200012022553 [0,1,0,0,0,1|2,0,0]=4 1444 B11R1.155 CC(C)(C)c1cccc(n1)O 271570a_203496583355_100010205033 [0,1,0,0,0,1|2,0,0]=4 1445 B11R1.155 CC(C)(C)c1ccnc(n1)O 271570a_203496583355_100009856131 [0,1,0,0,0,1|2,0,0]=4 1446 B11R1.155 CC(C)(C)c1nccc(n1)O 271570a_203496583355_100000764180 [0,1,0,0,0,1|2,0,0]=4 1447 B11R1.155 CC(C)(O)c1cccc(n1)O 271570a_203496583355_100010074359 [0,1,0,0,0,1|2,0,0]=4 1448 B11R1.155 CC(C)(O)c1cncc(n1)O 271570a_203496583355_106818305711 [0,1,0,0,0,1|2,0,0]=4 1449 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,1,0,0,0,1|2,0,0]=4 1450 B11R1.167 Cc1ncc(c(n1)N(C)C)F 27a_100102631434_100000059819 [0,1,0,0,0,1|2,0,0]=4 1451 B11R1.167 Cc1ncc(c(n1)N(C)C)N 27a_100102631434_100009873743 [0,1,0,0,0,1|2,0,0]=4 1452 B11R1.266 C=Cc1cccc(n1)C(C)C 271570a_100011290941_100012318657 [0,1,0,0,0,1|1,0,1]=4 1453 B11R1.266 C=Cc1ccnc(n1)C(C)C 271570a_100011290941_100000752938 [0,1,0,0,0,1|1,0,1]=4 1454 B11R1.266 C=Cc1cncc(n1)C(C)C 271570a_100011290941_100012056704 [0,1,0,0,0,1|1,0,1]=4 1455 B11R1.266 C=Cc1nccc(n1)C(C)C 271570a_100011290941_100011935126 [0,1,0,0,0,1|1,0,1]=4 1456 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [0,1,0,0,0,1|2,0,0]=4 1457 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [0,1,0,0,0,1|2,0,0]=4 1458 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1459 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1460 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1461 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,1,0,0,0,1|2,0,0]=4 1462 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,1,0,0,0,1|2,0,0]=4 1463 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,1,0,0,0,1|2,0,0]=4 1464 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,1,0,0,0,1|2,0,0]=4 1465 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_100012318657_200025704644 [0,1,0,0,0,1|1,0,0]=3 1466 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_200025704644_100012318657 [0,1,0,0,0,1|1,0,0]=3 1467 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_100010237925_200025704644 [0,1,0,0,0,1|2,0,0]=4 1468 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100010237925 [0,1,0,0,0,1|2,0,0]=4 1469 B11R1.266 CC(C)c1ccnc(n1)S[13CH3] 62a_100011935126_200025704644 [0,1,0,0,0,1|1,0,0]=3 1470 B11R1.266 CC(C)c1ccnc(n1)S[13CH3] 62a_200025704644_100011935126 [0,1,0,0,0,1|1,0,0]=3 1471 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200010191214_200025704644 [0,1,0,0,0,1|2,0,0]=4 1472 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200025704644_200010191214 [0,1,0,0,0,1|2,0,0]=4 1473 B11R1.266 CC(C)c1cncc(n1)S[13CH3] 62a_100012056704_200025704644 [0,1,0,0,0,1|1,0,0]=3 1474 B11R1.266 CC(C)c1cncc(n1)S[13CH3] 62a_200025704644_100012056704 [0,1,0,0,0,1|1,0,0]=3 1475 B11R1.266 CC(C)c1nccc(n1)S[13CH3] 62a_100000752938_200025704644 [0,1,0,0,0,1|1,0,0]=3 1476 B11R1.266 CC(C)c1nccc(n1)S[13CH3] 62a_200025704644_100000752938 [0,1,0,0,0,1|1,0,0]=3 1477 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200010173468_200025704644 [0,1,0,0,0,1|2,0,0]=4 1478 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200025704644_200010173468 [0,1,0,0,0,1|2,0,0]=4 1479 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [0,1,0,0,0,1|2,0,0]=4 1480 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [0,1,0,0,0,1|2,0,0]=4 1481 B11R1.266 CCc1ccnc(n1)N(C)C 27a_100102631434_100000100215 [0,1,0,0,0,1|2,0,0]=4 1482 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_100011960435_200025704644 [0,1,0,0,0,1|2,0,0]=4 1483 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_200025704644_100011960435 [0,1,0,0,0,1|2,0,0]=4 1484 B11R1.266 CN(C)c1ccnc(n1)S[13CH3] 62a_100000688391_200025704644 [0,1,0,0,0,1|2,0,0]=4 1485 B11R1.266 CN(C)c1ccnc(n1)S[13CH3] 62a_200025704644_100000688391 [0,1,0,0,0,1|2,0,0]=4 1486 B11R1.266 CN(C)c1cncc(n1)CO 27a_100102631434_100009853123 [0,1,0,0,0,1|2,0,0]=4 1487 B11R1.266 CN(C)c1cncc(n1)S[13CH3] 62a_100000749133_200025704644 [0,1,0,0,0,1|2,0,0]=4 1488 B11R1.266 CN(C)c1cncc(n1)S[13CH3] 62a_200025704644_100000749133 [0,1,0,0,0,1|2,0,0]=4 1489 B11R1.266 CN(C)c1nccc(n1)S[13CH3] 62a_100000757975_200025704644 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.266 CN(C)c1nccc(n1)S[13CH3] 62a_200025704644_100000757975 [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.266 CNc1cc(ccn1)C(C)C 27a_100102657272_100010237925 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1494 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,1,0,0,0,1|2,0,0]=4 1495 B11R1.266 CNc1cccc(n1)C(C)C 27a_100102657272_100012318657 [0,1,0,0,0,1|1,0,0]=3 1496 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,1,0,0,0,1|2,0,0]=4 1497 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [0,1,0,0,0,1|2,0,0]=4 1498 B11R1.266 CNc1ccnc(n1)C(C)C 27a_100102657272_100000752938 [0,1,0,0,0,1|1,0,0]=3 1499 B11R1.266 CNc1ccnc(n1)N(C)C 27a_100102631434_100011649947 [0,1,0,0,0,1|2,0,0]=4 1500 B11R1.266 CNc1ccnc(n1)N(C)C 27a_100102657272_100000757975 [0,1,0,0,0,1|2,0,0]=4 1501 B11R1.266 CNc1cncc(n1)C(C)C 27a_100102657272_100012056704 [0,1,0,0,0,1|1,0,0]=3 1502 B11R1.266 CNc1cncc(n1)N(C)C 27a_100102657272_100000749133 [0,1,0,0,0,1|2,0,0]=4 1503 B11R1.266 CNc1nccc(n1)C(C)C 27a_100102657272_100011935126 [0,1,0,0,0,1|1,0,0]=3 1504 B11R1.266 CNc1nccc(n1)N(C)C 27a_100102631434_100012000420 [0,1,0,0,0,1|2,0,0]=4 1505 B11R1.266 CNc1nccc(n1)N(C)C 27a_100102657272_100000688391 [0,1,0,0,0,1|2,0,0]=4 1506 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,1,0,0,0,1|2,0,0]=4 1507 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,1,0,0,0,1|2,0,0]=4 1508 B11R1.266 COc1ccnc(n1)N(C)C 27a_100102631434_100000182009 [0,1,0,0,0,1|2,0,0]=4 1509 B11R1.266 COc1cncc(n1)N(C)C 27a_100102631434_100009819700 [0,1,0,0,0,1|2,0,0]=4 1510 B11R1.266 COc1nccc(n1)N(C)C 27a_100102631434_100000069072 [0,1,0,0,0,1|2,0,0]=4 1511 B11R1.266 COc1ncnc(n1)N(C)C 27a_100102631434_200010750123 [0,1,0,0,0,1|2,0,0]=4 1512 B11R1.266 CSc1cc(ccn1)C(C)C 62a_100010237925_200000210301 [0,1,0,0,0,1|2,0,0]=4 1513 B11R1.266 CSc1cc(ccn1)C(C)C 62a_200000210301_100010237925 [0,1,0,0,0,1|2,0,0]=4 1514 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,1,0,0,0,1|2,0,0]=4 1515 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,1,0,0,0,1|2,0,0]=4 1516 B11R1.266 CSc1cccc(n1)C(C)C 62a_100012318657_200000210301 [0,1,0,0,0,1|1,0,0]=3 1517 B11R1.266 CSc1cccc(n1)C(C)C 62a_200000210301_100012318657 [0,1,0,0,0,1|1,0,0]=3 1518 B11R1.266 CSc1cccc(n1)C(C)N 62a_200000210301_200010173468 [0,1,0,0,0,1|2,0,0]=4 1519 B11R1.266 CSc1cccc(n1)C(C)N 62a_200010173468_200000210301 [0,1,0,0,0,1|2,0,0]=4 1520 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [0,1,0,0,0,1|2,0,0]=4 1521 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [0,1,0,0,0,1|2,0,0]=4 1522 B11R1.266 CSc1cccc(n1)N(C)C 62a_100011960435_200000210301 [0,1,0,0,0,1|2,0,0]=4 1523 B11R1.266 CSc1cccc(n1)N(C)C 62a_200000210301_100011960435 [0,1,0,0,0,1|2,0,0]=4 1524 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [0,1,0,0,0,1|2,0,0]=4 1525 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [0,1,0,0,0,1|2,0,0]=4 1526 B11R1.266 CSc1ccnc(n1)C(C)C 62a_100000752938_200000210301 [0,1,0,0,0,1|1,0,0]=3 1527 B11R1.266 CSc1ccnc(n1)C(C)C 62a_200000210301_100000752938 [0,1,0,0,0,1|1,0,0]=3 1528 B11R1.266 CSc1ccnc(n1)N(C)C 27a_100102631434_100011650323 [0,1,0,0,0,1|2,0,0]=4 1529 B11R1.266 CSc1ccnc(n1)N(C)C 62a_100000757975_200000210301 [0,1,0,0,0,1|2,0,0]=4 1530 B11R1.266 CSc1ccnc(n1)N(C)C 62a_200000210301_100000757975 [0,1,0,0,0,1|2,0,0]=4 1531 B11R1.266 CSc1cncc(c1)C(C)C 62a_200000210301_200010191214 [0,1,0,0,0,1|2,0,0]=4 1532 B11R1.266 CSc1cncc(c1)C(C)C 62a_200010191214_200000210301 [0,1,0,0,0,1|2,0,0]=4 1533 B11R1.266 CSc1cncc(n1)C(C)C 62a_100012056704_200000210301 [0,1,0,0,0,1|1,0,0]=3 1534 B11R1.266 CSc1cncc(n1)C(C)C 62a_200000210301_100012056704 [0,1,0,0,0,1|1,0,0]=3 1535 B11R1.266 CSc1cncc(n1)N(C)C 62a_100000749133_200000210301 [0,1,0,0,0,1|2,0,0]=4 1536 B11R1.266 CSc1cncc(n1)N(C)C 62a_200000210301_100000749133 [0,1,0,0,0,1|2,0,0]=4 1537 B11R1.266 CSc1nccc(n1)C(C)C 62a_100011935126_200000210301 [0,1,0,0,0,1|1,0,0]=3 1538 B11R1.266 CSc1nccc(n1)C(C)C 62a_200000210301_100011935126 [0,1,0,0,0,1|1,0,0]=3 1539 B11R1.266 CSc1nccc(n1)N(C)C 27a_100102631434_100000032126 [0,1,0,0,0,1|2,0,0]=4 1540 B11R1.266 CSc1nccc(n1)N(C)C 62a_100000688391_200000210301 [0,1,0,0,0,1|2,0,0]=4 1541 B11R1.266 CSc1nccc(n1)N(C)C 62a_200000210301_100000688391 [0,1,0,0,0,1|2,0,0]=4 1542 B11R1.6 C#CC(C)(C)c1nc(no1)C 270196a_100000212224_100000079900 [0,2,0,0,0,0|1,1,0]=4 1543 B11R1.6 C=CC(C)(C)c1nc(no1)C 270196a_100000212224_100012027013 [0,2,0,0,0,0|1,1,0]=4 1544 B11R1.6 CC(C)(O[13CH3])c1nc(cs1)Br 7a_100011934576_200025704644 [0,2,0,0,0,0|1,0,0]=3 1545 B11R1.6 CCC(C)(C)c1nc(no1)C 270196a_100000212224_100000749717 [0,2,0,0,0,0|1,1,0]=4 1546 B11R1.6 CCC(C)(O)c1nc(no1)C 270196a_100000212224_100011219770 [0,2,0,0,0,0|1,1,0]=4 1547 B11R1.6 COC(C)(C)c1nc(cs1)Br 7a_100011934576_200000210301 [0,2,0,0,0,0|1,0,0]=3 1548 B11R1.6 COC(C)(C)c1nc(cs1)C 7a_100010942429_200000210301 [0,2,0,0,0,0|0,0,0]=2 1549 B11R1.6 COC(C)(C)c1nc(no1)C 270196a_100000212224_100000753492 [0,2,0,0,0,0|1,1,0]=4 1550 B11R1.6 COC(C)(C)c1noc(n1)C 270196a_100000766139_100000070787 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.6 Cc1csc(n1)C(C)(C)O[13CH3] 7a_100010942429_200025704644 [0,2,0,0,0,0|0,0,0]=2 1552 B11R1.6 Cc1noc(n1)C(C)(C)C#N 270196a_100000212224_100000740761 [0,2,0,0,0,0|1,1,0]=4 1553 B11R1.6 Cc1noc(n1)C(C)(C)CF 270196a_100000212224_100000138116 [0,2,0,0,0,0|1,1,0]=4 1554 B11R1.6 Cc1noc(n1)C(C)(C)CO 270196a_100000212224_100000749806 [0,2,0,0,0,0|1,1,0]=4 1555 B11R1.11 CCC(CC)c1nc(no1)C 270196a_100000212224_100000211163 [0,2,0,0,0,0|1,1,0]=4 1556 B11R1.11 CCC(CC)c1noc(n1)C 270196a_100000753951_100000070787 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.11 CCC(NC)c1ccc(o1)C 269862a_106832991636_100011218535 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.11 CCC(NC)c1ccc(s1)C 269862a_106832991636_100011203523 [0,2,0,0,0,0|2,0,0]=4 1559 B11R1.11 CCC(NC)c1nc(c[nH]1)C 2230a_100015183110_200000210301 [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.11 CCC(N[13CH3])c1nc(c[nH]1)C 2230a_100015183110_200025704644 [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.11 CCC(OC)c1nc(no1)C 270196a_100000212224_100000747056 [0,2,0,0,0,0|1,1,0]=4 1562 B11R1.11 CCN(CC)c1nc(ns1)C 27a_100000724800_100000709739 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.11 CC[C@H](NC)c1ccc(o1)C 2230a_100012022952_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.11 CC[C@H](NC)c1ccc(o1)C 34a_100012022952_200000210301 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 2230a_100012022952_200025704644 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.11 CC[C@H](N[13CH3])c1ccc(o1)C 34a_100012022952_200025704644 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.11 COC(OC)c1nc(no1)C 270196a_100000212224_100000046285 [0,2,0,0,0,0|1,1,0]=4 1568 B11R1.15 C#CCN(C)c1nc(ns1)C 27a_100000225692_100000709739 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.15 C=CCC(C)c1nc(no1)C 270196a_100000212224_100011216819 [0,2,0,0,0,0|1,1,0]=4 1570 B11R1.15 CC(NCF)c1cc(cs1)Br 34a_100159270200_100015361967 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.15 CC(OCF)c1ccn(n1)C 34a_100012178569_100015361967 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.15 CCCC(C)c1nc(no1)C 270196a_100000212224_100000210906 [0,2,0,0,0,0|1,1,0]=4 1573 B11R1.15 CCCN(C)c1nc(ns1)C 27a_100000747261_100000709739 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.15 CCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210202 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.15 CCNC(C)c1cc(cs1)Br 269862a_100015525214_100000718618 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.15 CCNC(C)c1cc(cs1)Br 34a_100159270200_100000210202 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.15 CCNC(C)c1cc(cs1)C 269862a_100015525214_100000034720 [0,2,0,0,0,0|1,0,0]=3 1578 B11R1.15 CCNC(C)c1cc(cs1)Cl 269862a_100015525214_100000061699 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.15 CCNC(C)c1ccc(o1)C 269862a_100015525214_100000204583 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.15 CCNC(C)c1ccc(s1)C 269862a_100015525214_100000195387 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.15 CCNC(C)c1csc(n1)C 2230a_100000753491_100000210202 [0,2,0,0,0,0|2,0,0]=4 1582 B11R1.15 CCNC(C)c1csc(n1)C 269862a_100015525214_100000241968 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.15 CCNC(C)c1nc(c[nH]1)C 2230a_103496583476_100000210202 [0,2,0,0,0,0|1,0,0]=3 1584 B11R1.15 CCNC(C)c1nc(co1)C 270004a_100015525214_100009826828 [0,2,0,0,0,0|0,1,0]=3 1585 B11R1.15 CCNC(C)c1nc(cs1)C 2230a_100015185622_100000210202 [0,2,0,0,0,0|0,0,0]=2 1586 B11R1.15 CCNC(C)c1nc(cs1)C 269862a_100015525214_100011857357 [0,2,0,0,0,0|0,0,0]=2 1587 B11R1.15 CCNC(C)c1ncc(s1)C 269862a_100015525214_100011857370 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.15 CCOC(C)c1ccn(n1)C 34a_100012178569_100000210202 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.15 CCOC(C)c1nc(no1)C 270196a_100000212224_100000739345 [0,2,0,0,0,0|1,1,0]=4 1590 B11R1.15 CCSC(C)c1nc(no1)C 270196a_100000212224_100000230601 [0,2,0,0,0,0|1,1,0]=4 1591 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [0,2,0,0,0,0|0,0,0]=2 1592 B11R1.15 COCC(C)c1noc(n1)C 270196a_100000748625_100000070787 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.15 CSCC(C)c1nc(no1)C 270196a_100000212224_100000753918 [0,2,0,0,0,0|1,1,0]=4 1594 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [0,2,0,0,0,0|0,0,0]=2 1595 B11R1.15 Cc1nsc(n1)N(C)CCO 27a_100000210263_100000709739 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.44 CCC(C)c1nc(no1)CF 270196a_200000032654_100011192722 [0,2,0,0,0,0|1,1,0]=4 1597 B11R1.44 CCC(C)c1noc(n1)CO 270196a_100000752268_100000210174 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.44 CCc1ccc(s1)C(C)NC 269862a_106832991636_100000198524 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.44 CCc1nc(no1)C(C)CC 270196a_100000752268_100000210414 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.44 CCc1nc(no1)C(C)OC 270196a_100000684522_100000210414 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.44 CCc1noc(n1)C(C)CC 270196a_200000212204_100011192722 [0,2,0,0,0,0|1,1,0]=4 1602 B11R1.44 CCc1noc(n1)C(C)NC 2230a_100015185143_200000210301 [0,2,0,0,0,0|1,1,0]=4 1603 B11R1.44 CCc1noc(n1)C(C)NC 2230a_106832991635_100000736016 [0,2,0,0,0,0|1,1,0]=4 1604 B11R1.44 CCc1noc(n1)C(C)NC 34a_100102657272_100000736016 [0,2,0,0,0,0|1,1,0]=4 1605 B11R1.44 CCc1noc(n1)C(C)NC 7a_106832991635_100000736016 [0,2,0,0,0,0|1,1,0]=4 1606 B11R1.44 CCc1noc(n1)C(C)N[13CH3] 2230a_100015185143_200025704644 [0,2,0,0,0,0|1,1,0]=4 1607 B11R1.44 CCc1noc(n1)C(C)OC 270196a_200000212204_100000743197 [0,2,0,0,0,0|1,1,0]=4 1608 B11R1.44 CCc1noc(n1)C(C)OC 34a_100138415774_100000736016 [0,2,0,0,0,0|1,1,0]=4 1609 B11R1.44 CCc1noc(n1)C(C)SC 270196a_200000212204_100000149566 [0,2,0,0,0,0|1,1,0]=4 1610 B11R1.44 CCc1noc(n1)C(C)SC 62a_100000736016_200000210301 [0,2,0,0,0,0|1,1,0]=4 1611 B11R1.44 CCc1noc(n1)C(C)SC 62a_200000210301_100000736016 [0,2,0,0,0,0|1,1,0]=4 1612 B11R1.44 CCc1noc(n1)C(C)S[13CH3] 62a_100000736016_200025704644 [0,2,0,0,0,0|1,1,0]=4 1613 B11R1.44 CCc1noc(n1)C(C)S[13CH3] 62a_200025704644_100000736016 [0,2,0,0,0,0|1,1,0]=4 1614 B11R1.44 COC(=O)c1nc(cs1)SC 62a_100012360158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1615 B11R1.44 COC(=O)c1nc(cs1)SC 62a_200000210301_100012360158 [0,2,0,0,0,0|1,0,1]=4 1616 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_100012360158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1617 B11R1.44 COC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100012360158 [0,2,0,0,0,0|1,0,1]=4 1618 B11R1.44 COC(C)c1nc(no1)CF 270196a_200000032654_100000743197 [0,2,0,0,0,0|1,1,0]=4 1619 B11R1.44 COC(C)c1noc(n1)CO 270196a_100000684522_100000210174 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.44 CSC(C)c1nc(no1)CF 270196a_200000032654_100000149566 [0,2,0,0,0,0|1,1,0]=4 1621 B11R1.225 CNC(C)c1nc(sc1C)C 269862a_106832991636_100000008397 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.226 CNC(C)c1cc(c(s1)Br)Cl 269862a_106832991636_200012360051 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.226 CNC(C)c1cc(c(s1)Cl)Cl 269862a_106832991636_100000074699 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.45 C=Cc1csc(n1)C(C)(C)O 271570a_100011290941_100011934576 [0,2,0,0,0,0|0,0,1]=3 1625 B11R1.45 C=Cc1csc(n1)[Si](C)(C)C 271570a_100011290941_100009816575 [0,2,0,0,0,0|0,1,1]=4 1626 B11R1.45 CC(C)(C)c1csc(n1)S[13CH3] 62a_100011935280_200025704644 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.45 CC(C)(C)c1csc(n1)S[13CH3] 62a_200025704644_100011935280 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.45 CC(C)(C)c1nc(no1)CF 270196a_200000032654_106744555173 [0,2,0,0,0,0|1,1,0]=4 1629 B11R1.45 CC(C)(C)c1noc(n1)CO 270196a_100000736211_100000210174 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.45 CC(C)(F)c1nc(no1)CF 270196a_200000032654_100000765255 [0,2,0,0,0,0|1,1,0]=4 1631 B11R1.45 CC(C)(O)c1nc(cs1)S[13CH3] 62a_100011934576_200025704644 [0,2,0,0,0,0|0,0,0]=2 1632 B11R1.45 CC(C)(O)c1nc(cs1)S[13CH3] 62a_200025704644_100011934576 [0,2,0,0,0,0|0,0,0]=2 1633 B11R1.45 CC(C)(O)c1nc(no1)CF 270196a_200000032654_100000242741 [0,2,0,0,0,0|1,1,0]=4 1634 B11R1.45 CC(C)(O)c1ncc(s1)S[13CH3] 62a_200010140768_200025704644 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.45 CC(C)(O)c1ncc(s1)S[13CH3] 62a_200025704644_200010140768 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.45 CCc1nc(no1)C(C)(C)C 270196a_100000736211_100000210414 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.45 CCc1noc(n1)C(C)(C)C 270196a_200000212204_106744555173 [0,2,0,0,0,0|1,1,0]=4 1638 B11R1.45 CCc1noc(n1)C(C)(C)F 270196a_200000212204_100000765255 [0,2,0,0,0,0|1,1,0]=4 1639 B11R1.45 CCc1noc(n1)C(C)(C)O 270196a_200000212204_100000242741 [0,2,0,0,0,0|1,1,0]=4 1640 B11R1.45 CNc1cnc(s1)C(C)(C)O 27a_100102657272_200010140768 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.45 CNc1csc(n1)C(C)(C)O 27a_100102657272_100011934576 [0,2,0,0,0,0|0,0,0]=2 1642 B11R1.45 CNc1csc(n1)[Si](C)(C)C 27a_100102657272_100009816575 [0,2,0,0,0,0|0,1,0]=3 1643 B11R1.45 CSc1cnc(s1)C(C)(C)O 62a_200000210301_200010140768 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.45 CSc1cnc(s1)C(C)(C)O 62a_200010140768_200000210301 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.45 CSc1csc(n1)C(C)(C)O 62a_100011934576_200000210301 [0,2,0,0,0,0|0,0,0]=2 1646 B11R1.45 CSc1csc(n1)C(C)(C)O 62a_200000210301_100011934576 [0,2,0,0,0,0|0,0,0]=2 1647 B11R1.45 CSc1csc(n1)[Si](C)(C)C 62a_100009816575_200000210301 [0,2,0,0,0,0|0,1,0]=3 1648 B11R1.45 CSc1csc(n1)[Si](C)(C)C 62a_200000210301_100009816575 [0,2,0,0,0,0|0,1,0]=3 1649 B11R1.45 CSc1nc(cs1)C(C)(C)C 62a_100011935280_200000210301 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.45 CSc1nc(cs1)C(C)(C)C 62a_200000210301_100011935280 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.45 C[Si](C)(C)c1nc(cs1)S[13CH3] 62a_100009816575_200025704644 [0,2,0,0,0,0|0,1,0]=3 1652 B11R1.45 C[Si](C)(C)c1nc(cs1)S[13CH3] 62a_200025704644_100009816575 [0,2,0,0,0,0|0,1,0]=3 1653 B11R1.48 C=C(C)c1nc(c(s1)C)CO 271570a_100000694244_100010127906 [0,2,0,0,0,0|0,0,2]=4 1654 B11R1.48 C=C(C)c1nc(c(s1)C=O)C 271570a_100000694244_100010339034 [0,2,0,0,0,0|0,0,2]=4 1655 B11R1.48 C=C(C)c1nc(c(s1)CO)C 271570a_100000694244_100010264302 [0,2,0,0,0,0|0,0,2]=4 1656 B11R1.48 C=Cc1cn(nc1C)C(C)C 271570a_100011290941_100012354293 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.48 CSc1cn(nc1C)C(C)C 62a_100012354293_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.48 CSc1cn(nc1C)C(C)C 62a_200000210301_100012354293 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.48 Cc1nc(sc1C=O)N(C)C 27a_100102631434_100010339034 [0,2,0,0,0,0|1,0,0]=3 1660 B11R1.48 Cc1nn(cc1S[13CH3])C(C)C 62a_100012354293_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.48 Cc1nn(cc1S[13CH3])C(C)C 62a_200025704644_100012354293 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.124 C#CCc1nc(no1)C(C)C 270196a_100000210513_100011220946 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.124 C=C=Cc1csc(n1)C(C)C 271570a_100015277604_200011934575 [0,2,0,0,0,0|0,0,1]=3 1664 B11R1.124 C=C=Cc1csc(n1)N(C)C 271570a_100015277604_100012356714 [0,2,0,0,0,0|1,0,1]=4 1665 B11R1.124 C=CCc1noc(n1)C(C)C 270196a_100000746013_100000210198 [0,2,0,0,0,0|1,1,0]=4 1666 B11R1.124 C=NCc1noc(n1)C(C)C 270196a_100011217787_100000210198 [0,2,0,0,0,0|1,1,0]=4 1667 B11R1.124 CC(=O)c1nc(cs1)SCF 62a_100010231720_100015361967 [0,2,0,0,0,0|1,0,1]=4 1668 B11R1.124 CC(=O)c1nc(cs1)SCF 62a_100015361967_100010231720 [0,2,0,0,0,0|1,0,1]=4 1669 B11R1.124 CC(C)c1nc(cs1)CN[13CH3] 2230a_100016996142_200025704644 [0,2,0,0,0,0|0,0,0]=2 1670 B11R1.124 CC(C)c1nc(cs1)CO[13CH3] 7a_200011486425_200025704644 [0,2,0,0,0,0|0,0,0]=2 1671 B11R1.124 CC(C)c1nc(cs1)CS[13CH3] 62a_100000739279_200025704644 [0,2,0,0,0,0|0,0,0]=2 1672 B11R1.124 CC(C)c1nc(cs1)CS[13CH3] 62a_200025704644_100000739279 [0,2,0,0,0,0|0,0,0]=2 1673 B11R1.124 CC(C)c1nc(cs1)SCF 62a_100015361967_200011934575 [0,2,0,0,0,0|0,0,0]=2 1674 B11R1.124 CC(C)c1nc(cs1)SCF 62a_200011934575_100015361967 [0,2,0,0,0,0|0,0,0]=2 1675 B11R1.124 CC(C)c1nc(no1)CN[13CH3] 2230a_100015187197_200025704644 [0,2,0,0,0,0|1,1,0]=4 1676 B11R1.124 CC(C)c1nc(no1)CS[13CH3] 62a_100000744480_200025704644 [0,2,0,0,0,0|1,1,0]=4 1677 B11R1.124 CC(C)c1nc(no1)CS[13CH3] 62a_200025704644_100000744480 [0,2,0,0,0,0|1,1,0]=4 1678 B11R1.124 CC(C)c1ncc(s1)CN[13CH3] 2230a_200011446845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.124 CC(C)c1noc(n1)CCO 270196a_100000210513_100011216618 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.124 CC(C)c1noc(n1)CS[13CH3] 62a_100000735703_200025704644 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.124 CC(C)c1noc(n1)CS[13CH3] 62a_200025704644_100000735703 [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.124 CC(C)n1ccc(n1)OCF 34a_100013209193_100015361967 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.124 CC(C)n1ccc(n1)SCF 62a_100012351941_100015361967 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.124 CC(C)n1ccc(n1)SCF 62a_100015361967_100012351941 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.124 CC(N)c1cc(cs1)SCF 62a_100015361967_100159270200 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.124 CC(N)c1cc(cs1)SCF 62a_100159270200_100015361967 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.124 CC=Cc1ccn(n1)C(C)C 271570a_100016259895_100012351941 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.124 CC=Cc1csc(c1)C(C)N 271570a_100016259895_100159270200 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.124 CC=Cc1csc(n1)C(=O)C 271570a_100016259895_100010231720 [0,2,0,0,0,0|1,0,1]=4 1690 B11R1.124 CC=Cc1csc(n1)C(C)C 271570a_100016259895_200011934575 [0,2,0,0,0,0|0,0,0]=2 1691 B11R1.124 CC=Cc1csc(n1)N(C)C 271570a_100016259895_100012356714 [0,2,0,0,0,0|1,0,0]=3 1692 B11R1.124 CC=Cc1nc(no1)C(C)C 270196a_100000210513_100000210699 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.124 CC=Cc1noc(n1)C(C)C 270196a_200000210507_100000210198 [0,2,0,0,0,0|1,1,0]=4 1694 B11R1.124 CCCc1nc(no1)C(C)C 270196a_100000210513_100000211992 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.124 CCCc1noc(n1)C(C)C 270196a_100011193412_100000210198 [0,2,0,0,0,0|1,1,0]=4 1696 B11R1.124 CCNc1csc(n1)C(C)C 27a_100015525214_200011934575 [0,2,0,0,0,0|0,0,0]=2 1697 B11R1.124 CCOc1ccn(n1)C(C)C 34a_100013209193_100000210202 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.124 CCSc1ccn(n1)C(C)C 62a_100000210202_100012351941 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.124 CCSc1ccn(n1)C(C)C 62a_100012351941_100000210202 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.124 CCSc1csc(c1)C(C)N 62a_100000210202_100159270200 [0,2,0,0,0,0|2,0,0]=4 1701 B11R1.124 CCSc1csc(c1)C(C)N 62a_100159270200_100000210202 [0,2,0,0,0,0|2,0,0]=4 1702 B11R1.124 CCSc1csc(n1)C(=O)C 62a_100000210202_100010231720 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.124 CCSc1csc(n1)C(=O)C 62a_100010231720_100000210202 [0,2,0,0,0,0|1,0,1]=4 1704 B11R1.124 CCSc1csc(n1)C(C)C 62a_100000210202_200011934575 [0,2,0,0,0,0|0,0,0]=2 1705 B11R1.124 CCSc1csc(n1)C(C)C 62a_200011934575_100000210202 [0,2,0,0,0,0|0,0,0]=2 1706 B11R1.124 CCSc1csc(n1)N(C)C 62a_100000210202_100012356714 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.124 CCSc1csc(n1)N(C)C 62a_100012356714_100000210202 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.124 CN(C)c1nc(cs1)SCF 62a_100012356714_100015361967 [0,2,0,0,0,0|1,0,0]=3 1709 B11R1.124 CN(C)c1nc(cs1)SCF 62a_100015361967_100012356714 [0,2,0,0,0,0|1,0,0]=3 1710 B11R1.124 CNCc1cnc(s1)C(C)C 207a_100102657272_100000687270 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.124 CNCc1cnc(s1)C(C)C 2230a_200011446845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.124 CNCc1cnc(s1)C(C)C 270004a_106832991635_100000687270 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.124 CNCc1csc(n1)C(C)C 207a_100102657272_100000743590 [0,2,0,0,0,0|0,0,0]=2 1714 B11R1.124 CNCc1csc(n1)C(C)C 2230a_100016996142_200000210301 [0,2,0,0,0,0|0,0,0]=2 1715 B11R1.124 CNCc1csc(n1)C(C)C 2230a_106832991635_100000739279 [0,2,0,0,0,0|0,0,0]=2 1716 B11R1.124 CNCc1csc(n1)C(C)C 270004a_106832991635_100000743590 [0,2,0,0,0,0|0,0,0]=2 1717 B11R1.124 CNCc1csc(n1)C(C)C 34a_100102657272_100000739279 [0,2,0,0,0,0|0,0,0]=2 1718 B11R1.124 CNCc1csc(n1)C(C)C 7a_106832991635_100000739279 [0,2,0,0,0,0|0,0,0]=2 1719 B11R1.124 CNCc1nc(no1)C(C)C 2230a_106832991635_100000735703 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.124 CNCc1nc(no1)C(C)C 34a_100102657272_100000735703 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.124 CNCc1nc(no1)C(C)C 7a_106832991635_100000735703 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.124 CNCc1noc(n1)C(C)C 2230a_100015187197_200000210301 [0,2,0,0,0,0|1,1,0]=4 1723 B11R1.124 CNCc1noc(n1)C(C)C 2230a_106832991635_100000744480 [0,2,0,0,0,0|1,1,0]=4 1724 B11R1.124 CNCc1noc(n1)C(C)C 34a_100102657272_100000744480 [0,2,0,0,0,0|1,1,0]=4 1725 B11R1.124 CNCc1noc(n1)C(C)C 7a_106832991635_100000744480 [0,2,0,0,0,0|1,1,0]=4 1726 B11R1.124 COCc1csc(n1)C(C)C 34a_100138415774_100000739279 [0,2,0,0,0,0|0,0,0]=2 1727 B11R1.124 COCc1csc(n1)C(C)C 7a_200011486425_200000210301 [0,2,0,0,0,0|0,0,0]=2 1728 B11R1.124 COCc1nc(no1)C(C)C 270196a_100000210513_100000210968 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.124 COCc1nc(no1)C(C)C 34a_100138415774_100000735703 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.124 COCc1noc(n1)C(C)C 270196a_100000195696_100000210198 [0,2,0,0,0,0|1,1,0]=4 1731 B11R1.124 COCc1noc(n1)C(C)C 34a_100138415774_100000744480 [0,2,0,0,0,0|1,1,0]=4 1732 B11R1.124 CSCc1csc(n1)C(C)C 62a_100000739279_200000210301 [0,2,0,0,0,0|0,0,0]=2 1733 B11R1.124 CSCc1csc(n1)C(C)C 62a_200000210301_100000739279 [0,2,0,0,0,0|0,0,0]=2 1734 B11R1.124 CSCc1nc(no1)C(C)C 270196a_100000210513_100000184570 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.124 CSCc1nc(no1)C(C)C 62a_100000735703_200000210301 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.124 CSCc1nc(no1)C(C)C 62a_200000210301_100000735703 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.124 CSCc1noc(n1)C(C)C 270196a_100000749773_100000210198 [0,2,0,0,0,0|1,1,0]=4 1738 B11R1.124 CSCc1noc(n1)C(C)C 62a_100000744480_200000210301 [0,2,0,0,0,0|1,1,0]=4 1739 B11R1.124 CSCc1noc(n1)C(C)C 62a_200000210301_100000744480 [0,2,0,0,0,0|1,1,0]=4 1740 B11R1.175 C=C(C)c1ccn(n1)C(C)C 271570a_100000694244_100012351941 [0,2,0,0,0,0|2,0,0]=4 1741 B11R1.175 C=C(C)c1csc(c1)C(C)N 271570a_100000694244_100159270200 [0,2,0,0,0,0|2,0,0]=4 1742 B11R1.175 C=C(C)c1csc(n1)C(=O)C 271570a_100000694244_100010231720 [0,2,0,0,0,0|1,0,1]=4 1743 B11R1.175 C=C(C)c1csc(n1)C(C)C 271570a_100000694244_200011934575 [0,2,0,0,0,0|0,0,0]=2 1744 B11R1.175 C=C(C)c1csc(n1)N(C)C 271570a_100000694244_100012356714 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.175 CC(C)c1nc(cs1)N(C)C 27a_100102631434_200011934575 [0,2,0,0,0,0|0,0,0]=2 1746 B11R1.175 CC(C)c1noc(n1)C(C)C 270196a_100000210513_100000210198 [0,2,0,0,0,0|1,1,0]=4 1747 B11R1.175 CC(C)c1noc(n1)C(C)F 270196a_100000210513_100000062450 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.175 CC(C)c1noc(n1)C(F)F 270196a_100000210513_100000210393 [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.175 CC(C)c1noc(n1)C(O)O 270196a_100000210513_100000233687 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.175 CC(C)c1noc(n1)[C@@H](C)O 270196a_100000210513_100000717761 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.175 CC(C)c1noc(n1)[C@H](C)O 270196a_100000210513_217856618621 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.175 CN(C)c1nc(cs1)C(=O)N 27a_100102631434_100010247141 [0,2,0,0,0,0|1,0,1]=4 1753 B11R1.672 Cc1nn(c(c1O)C)C(C)C 271570a_203496583355_100011616498 [0,2,0,0,0,0|2,0,0]=4 1754 B9R1.100 C/C=C/CC(=O)C1CC1 1458a_100000210395_100102629194 [0,0,1,1,0,0|2,0,0]=4 1755 B9R1.100 CC=CCC(=O)C1CC1 1458a_100000210395_100000070051 [0,0,1,1,0,0|2,0,0]=4 1756 B9R1.80 C=CC(=NNC1CC1)C 4a_100000701032_200015361842 [0,0,1,1,0,0|2,0,0]=4 1757 B9R1.84 CC(C)NN=C1CSC1 4a_100000741168_100000073008 [0,0,1,1,0,0|1,0,1]=4 1758 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,1,1,0,0|1,1,0]=4 1759 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [1,0,0,1,0,0|1,0,0]=3 1760 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [1,0,0,1,0,0|2,0,0]=4 1761 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [1,0,0,1,0,0|2,0,0]=4 1762 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|1,1,0]=4 1763 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [1,0,0,1,0,0|0,1,0]=3 1764 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|1,0,0]=3 1765 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [1,0,0,1,0,0|0,0,0]=2 1766 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [1,0,0,1,0,0|2,0,0]=4 1767 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [1,0,0,1,0,0|2,0,0]=4 1768 B9R2.2 c1nc(n[nH]1)C2CC2 271570a_100011220607_100000761765 [1,0,0,1,0,0|2,0,0]=4 1769 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [1,0,0,1,0,0|2,0,0]=4 1770 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [1,0,0,1,0,0|1,0,0]=3 1771 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [1,0,0,1,0,0|1,0,0]=3 1772 B11R2.34 Brc1ccc(cn1)C2CC2 271570a_100011220607_100009814638 [0,0,0,1,0,1|2,0,0]=4 1773 B11R2.34 Brc1ccc(nc1)C2CC2 271570a_100011220607_100000686858 [0,0,0,1,0,1|2,0,0]=4 1774 B11R2.34 Brc1cnc(nc1)C2CC2 271570a_100011220607_100000690281 [0,0,0,1,0,1|2,0,0]=4 1775 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [0,0,0,1,0,1|2,0,0]=4 1776 B11R2.34 Cc1ccc(cn1)C2CC2 271570a_100011220607_100000751577 [0,0,0,1,0,1|1,0,0]=3 1777 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [0,0,0,1,0,1|1,0,0]=3 1778 B11R2.34 Cc1ccc(nn1)C2CC2 271570a_100011220607_100011450037 [0,0,0,1,0,1|1,0,0]=3 1779 B11R2.34 Cc1cnc(cn1)C2CC2 271570a_100011220607_100011999403 [0,0,0,1,0,1|1,0,0]=3 1780 B11R2.34 Cc1cnc(nc1)C2CC2 271570a_100011220607_100011825175 [0,0,0,1,0,1|1,0,0]=3 1781 B11R2.34 Cc1ncc(cn1)C2CC2 271570a_100011220607_100000686985 [0,0,0,1,0,1|2,0,0]=4 1782 B11R2.34 Clc1ccc(cn1)C2CC2 271570a_100011220607_100000034144 [0,0,0,1,0,1|2,0,0]=4 1783 B11R2.34 Clc1ccc(nc1)C2CC2 271570a_100011220607_100011356976 [0,0,0,1,0,1|2,0,0]=4 1784 B11R2.34 Clc1cnc(nc1)C2CC2 271570a_100011220607_100011356929 [0,0,0,1,0,1|2,0,0]=4 1785 B11R2.34 Fc1ccc(cn1)C2CC2 271570a_100011220607_100000748661 [0,0,0,1,0,1|2,0,0]=4 1786 B11R2.34 Fc1ccc(nc1)C2CC2 271570a_100011220607_100000744514 [0,0,0,1,0,1|2,0,0]=4 1787 B11R2.34 Fc1cnc(cn1)C2CC2 271570a_100011220607_100009856528 [0,0,0,1,0,1|2,0,0]=4 1788 B11R2.34 Fc1cnc(nc1)C2CC2 271570a_100011220607_100000685220 [0,0,0,1,0,1|2,0,0]=4 1789 B11R2.34 Nc1ccc(cn1)C2CC2 271570a_100011220607_100000187370 [0,0,0,1,0,1|2,0,0]=4 1790 B11R2.34 Nc1ccc(nc1)C2CC2 271570a_100011220607_100000744251 [0,0,0,1,0,1|2,0,0]=4 1791 B11R2.34 Nc1ccc(nn1)C2CC2 271570a_100011220607_100009816609 [0,0,0,1,0,1|2,0,0]=4 1792 B11R2.34 Nc1cnc(cn1)C2CC2 271570a_100011220607_100000761932 [0,0,0,1,0,1|2,0,0]=4 1793 B11R2.34 Nc1cnc(nc1)C2CC2 271570a_100011220607_100000068403 [0,0,0,1,0,1|2,0,0]=4 1794 B11R2.34 O=c1ccc(n[nH]1)C2CC2 271570a_100011220607_100009820020 [0,0,0,1,0,1|2,0,0]=4 1795 B11R2.34 Oc1ccc(cn1)C2CC2 271570a_203496583355_200000118129 [0,0,0,1,0,1|2,0,0]=4 1796 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_100011220607_100000685995 [0,0,0,1,0,1|2,0,0]=4 1797 B11R2.34 Oc1ccc(nc1)C2CC2 271570a_203496583355_100009850895 [0,0,0,1,0,1|2,0,0]=4 1798 B11R2.34 Oc1ccc(nn1)C2CC2 271570a_203496583355_100000754422 [0,0,0,1,0,1|2,0,0]=4 1799 B11R2.34 Oc1cnc(cn1)C2CC2 271570a_203496583355_100012002519 [0,0,0,1,0,1|2,0,0]=4 1800 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_100011220607_100000730009 [0,0,0,1,0,1|2,0,0]=4 1801 B11R2.34 Oc1cnc(nc1)C2CC2 271570a_203496583355_100009840968 [0,0,0,1,0,1|2,0,0]=4 1802 B11R2.33 Cc1noc(n1)C2CC2C 270196a_100000212224_100000211227 [0,0,0,1,0,1|1,1,0]=4 1803 B11R2.351 Brc1csc(n1)SC2CC2 62a_200016082925_100000211595 [0,0,0,1,0,1|1,0,0]=3 1804 B11R2.351 Cc1c[nH]c(n1)SC2CC2 62a_100161115468_100000211595 [0,0,0,1,0,1|1,0,0]=3 1805 B11R2.351 Cc1cc(sn1)SC2CC2 62a_100009815735_100000211595 [0,0,0,1,0,1|2,0,0]=4 1806 B11R2.351 Cc1ccc(s1)SC2CC2 62a_100000031368_100000211595 [0,0,0,1,0,1|2,0,0]=4 1807 B11R2.351 Cc1cnc(s1)SC2CC2 62a_100000690809_100000211595 [0,0,0,1,0,1|2,0,0]=4 1808 B11R2.351 Cc1csc(c1)SC2CC2 62a_100009876951_100000211595 [0,0,0,1,0,1|1,0,0]=3 1809 B11R2.351 Cc1csc(n1)SC2CC2 62a_100011291629_100000211595 [0,0,0,1,0,1|0,0,0]=2 1810 B11R2.351 Cc1nc(c[nH]1)SC2CC2 62a_100009814057_100000211595 [0,0,0,1,0,1|2,0,0]=4 1811 B11R2.351 Cc1nc(cs1)SC2CC2 62a_100011934587_100000211595 [0,0,0,1,0,1|2,0,0]=4 1812 B11R2.351 Cc1nc(n[nH]1)SC2CC2 62a_100000732540_100000211595 [0,0,0,1,0,1|2,0,0]=4 1813 B11R2.351 Cc1nc(no1)CC2CC2 270196a_100000755404_100000070787 [0,0,0,1,0,1|2,0,0]=4 1814 B11R2.351 Cc1nc(no1)NC2CC2 27a_100000212008_100012003639 [0,0,0,1,0,1|2,0,0]=4 1815 B11R2.351 Cc1nc(no1)SC2CC2 62a_100012003639_100000211595 [0,0,0,1,0,1|2,0,0]=4 1816 B11R2.351 Cc1noc(n1)CC2CC2 270196a_100000212224_100000738066 [0,0,0,1,0,1|1,1,0]=4 1817 B11R2.351 Cc1nsc(n1)NC2CC2 27a_100000212008_100000709739 [0,0,0,1,0,1|1,0,0]=3 1818 B11R2.351 Cc1nsc(n1)SC2CC2 62a_100000709739_100000211595 [0,0,0,1,0,1|1,0,0]=3 1819 B11R2.351 Cn1ccc(n1)OC2CC2 34a_100012642153_100000211595 [0,0,0,1,0,1|2,0,0]=4 1820 B11R2.351 Cn1ccc(n1)SC2CC2 62a_100000752436_100000211595 [0,0,0,1,0,1|2,0,0]=4 1821 B11R2.351 Cn1cnc(n1)SC2CC2 62a_100009819955_100000211595 [0,0,0,1,0,1|2,0,0]=4 1822 B11R2.351 Nc1csc(n1)SC2CC2 62a_200015188442_100000211595 [0,0,0,1,0,1|1,0,0]=3 1823 B11R2.35 Brc1cccc(n1)C2CC2 271570a_100011220607_100000684672 [0,0,0,1,0,1|2,0,0]=4 1824 B11R2.35 Cc1cc(ccn1)C2CC2 271570a_100011220607_100000758586 [0,0,0,1,0,1|2,0,0]=4 1825 B11R2.35 Cc1cc(ncn1)C2CC2 271570a_100011220607_100000744208 [0,0,0,1,0,1|2,0,0]=4 1826 B11R2.35 Cc1cccc(c1)C2CC2 271570a_100011220607_100011215228 [0,0,0,1,0,1|2,0,0]=4 1827 B11R2.35 Cc1cccc(n1)C2CC2 271570a_100011220607_100000742759 [0,0,0,1,0,1|1,0,0]=3 1828 B11R2.35 Cc1ccnc(c1)C2CC2 271570a_100011220607_100000750283 [0,0,0,1,0,1|2,0,0]=4 1829 B11R2.35 Cc1ccnc(n1)C2CC2 271570a_100011220607_100011243806 [0,0,0,1,0,1|1,0,0]=3 1830 B11R2.35 Cc1cncc(c1)C2CC2 271570a_100011220607_100000760492 [0,0,0,1,0,1|2,0,0]=4 1831 B11R2.35 Cc1cncc(n1)C2CC2 271570a_100011220607_100009842155 [0,0,0,1,0,1|1,0,0]=3 1832 B11R2.35 Cc1cnnc(c1)C2CC2 271570a_100011220607_100000070100 [0,0,0,1,0,1|2,0,0]=4 1833 B11R2.35 Cc1nccc(n1)C2CC2 271570a_100011220607_100000749937 [0,0,0,1,0,1|1,0,0]=3 1834 B11R2.35 Fc1cccc(n1)C2CC2 271570a_100011220607_100009815982 [0,0,0,1,0,1|2,0,0]=4 1835 B11R2.35 Fc1cncc(n1)C2CC2 271570a_100011220607_200009863489 [0,0,0,1,0,1|2,0,0]=4 1836 B11R2.35 Nc1cccc(n1)C2CC2 271570a_100011220607_100000740741 [0,0,0,1,0,1|2,0,0]=4 1837 B11R2.35 Nc1ccnc(n1)C2CC2 271570a_100011220607_100000757536 [0,0,0,1,0,1|2,0,0]=4 1838 B11R2.35 Nc1cncc(n1)C2CC2 271570a_100011220607_100009819714 [0,0,0,1,0,1|2,0,0]=4 1839 B11R2.35 Nc1nccc(n1)C2CC2 271570a_100011220607_100009820717 [0,0,0,1,0,1|2,0,0]=4 1840 B11R2.35 Nc1ncnc(n1)C2CC2 271570a_100011220607_100000123831 [0,0,0,1,0,1|2,0,0]=4 1841 B11R2.35 O=c1nc(cc[nH]1)C2CC2 271570a_100011220607_200000134032 [0,0,0,1,0,1|2,0,0]=4 1842 B11R2.35 Oc1ccnc(n1)C2CC2 271570a_100011220607_100011649813 [0,0,0,1,0,1|2,0,0]=4 1843 B11R2.35 Oc1ccnc(n1)C2CC2 271570a_203496583355_100000754726 [0,0,0,1,0,1|2,0,0]=4 1844 B11R2.35 Oc1cncc(n1)C2CC2 271570a_100011220607_100011269956 [0,0,0,1,0,1|2,0,0]=4 1845 B11R2.35 Oc1nccc(n1)C2CC2 271570a_203496583355_100012000534 [0,0,0,1,0,1|2,0,0]=4 1846 B11R2.352 Cc1nc(no1)C2CCC2 270196a_100000739640_100000070787 [0,1,0,1,0,0|2,0,0]=4 1847 B11R2.352 Cc1noc(n1)C2CCC2 270196a_100000212224_100000209988 [0,1,0,1,0,0|1,1,0]=4 1848 B11R2.352 Cc1noc(n1)C2CCO2 270196a_100000212224_100000089072 [0,1,0,1,0,0|1,1,0]=4 1849 B11R2.352 Cc1noc(n1)C2COC2 270196a_100000212224_100000758290 [0,1,0,1,0,0|1,1,0]=4 1850 B11R2.352 Cc1nsc(n1)N2CCC2 27a_100000754969_100000709739 [0,1,0,1,0,0|2,0,0]=4 1851 B11R2.353 Cc1noc(n1)C2(CC2)C 270196a_100000212224_100000756474 [0,1,0,1,0,0|1,1,0]=4 1852 B11R2.353 Cc1noc(n1)C2(CC2)O 270196a_100000212224_100000241761 [0,1,0,1,0,0|1,1,0]=4 1853 B11R2.21 C=Cc1csc(n1)C2CC2 271570a_100011290941_100012360350 [0,1,0,1,0,0|0,0,1]=3 1854 B11R2.21 CCc1ccc(s1)C2CC2 271570a_100011220607_100009844052 [0,1,0,1,0,0|2,0,0]=4 1855 B11R2.21 CCc1nc(no1)C2CC2 270196a_100011196852_100000210414 [0,1,0,1,0,0|2,0,0]=4 1856 B11R2.21 CCc1nc(no1)C2CC2 271570a_100011220607_100012003642 [0,1,0,1,0,0|2,0,0]=4 1857 B11R2.21 CCc1noc(n1)C2CC2 270196a_200000212204_100000210395 [0,1,0,1,0,0|1,1,0]=4 1858 B11R2.21 CCn1ccc(n1)C2CC2 271570a_100011220607_100012350556 [0,1,0,1,0,0|2,0,0]=4 1859 B11R2.21 COc1nc(cs1)C2CC2 271570a_100011220607_100000727839 [0,1,0,1,0,0|2,0,0]=4 1860 B11R2.21 CSc1cnc([nH]1)C2CC2 62a_100010991395_200000210301 [0,1,0,1,0,0|1,0,1]=4 1861 B11R2.21 CSc1cnc([nH]1)C2CC2 62a_200000210301_100010991395 [0,1,0,1,0,0|1,0,1]=4 1862 B11R2.21 CSc1cnc(s1)C2CC2 62a_100012360360_200000210301 [0,1,0,1,0,0|2,0,0]=4 1863 B11R2.21 CSc1cnc(s1)C2CC2 62a_200000210301_100012360360 [0,1,0,1,0,0|2,0,0]=4 1864 B11R2.21 CSc1csc(n1)C2CC2 62a_100012360350_200000210301 [0,1,0,1,0,0|0,0,0]=2 1865 B11R2.21 CSc1csc(n1)C2CC2 62a_200000210301_100012360350 [0,1,0,1,0,0|0,0,0]=2 1866 B11R2.21 CSc1nc(cs1)C2CC2 271570a_100011220607_100000732701 [0,1,0,1,0,0|2,0,0]=4 1867 B11R2.21 CSc1nc(ns1)C2CC2 271570a_100011220607_200010005773 [0,1,0,1,0,0|2,0,0]=4 1868 B11R2.21 CSc1noc(n1)C2CC2 62a_100000719345_200000210301 [0,1,0,1,0,0|1,1,0]=4 1869 B11R2.21 CSc1noc(n1)C2CC2 62a_200000210301_100000719345 [0,1,0,1,0,0|1,1,0]=4 1870 B11R2.21 FCc1noc(n1)C2CC2 270196a_200000032654_100000210395 [0,1,0,1,0,0|1,1,0]=4 1871 B11R2.21 N#Cc1csc(n1)C2CC2 271570a_100011220607_100009819631 [0,1,0,1,0,0|0,0,1]=3 1872 B11R2.21 NCc1ccc(o1)C2CC2 271570a_100011220607_100000708654 [0,1,0,1,0,0|2,0,0]=4 1873 B11R2.21 NCc1ccc(s1)C2CC2 271570a_100011220607_100000737305 [0,1,0,1,0,0|2,0,0]=4 1874 B11R2.21 NCc1cnc(s1)C2CC2 271570a_100011220607_100000726991 [0,1,0,1,0,0|2,0,0]=4 1875 B11R2.21 O=Cc1csc(c1)C2CC2 271570a_100011220607_100000737087 [0,1,0,1,0,0|1,0,1]=4 1876 B11R2.21 O=Cc1csc(n1)C2CC2 271570a_100011220607_100009816748 [0,1,0,1,0,0|0,0,1]=3 1877 B11R2.21 OCc1ccc(o1)C2CC2 271570a_100011220607_100000246276 [0,1,0,1,0,0|2,0,0]=4 1878 B11R2.21 OCc1ccc(s1)C2CC2 271570a_100011220607_100000246291 [0,1,0,1,0,0|2,0,0]=4 1879 B11R2.21 OCc1cnc(s1)C2CC2 271570a_100011220607_100009816753 [0,1,0,1,0,0|2,0,0]=4 1880 B11R2.21 OCc1csc(n1)C2CC2 271570a_100011220607_100009816749 [0,1,0,1,0,0|0,0,0]=2 1881 B11R2.21 OCc1nc(cs1)C2CC2 271570a_100011220607_100012000107 [0,1,0,1,0,0|2,0,0]=4 1882 B11R2.21 OCc1nc(no1)C2CC2 270196a_100011196852_100000210174 [0,1,0,1,0,0|2,0,0]=4 1883 B11R2.21 [13CH3]Sc1cnc([nH]1)C2CC2 62a_100010991395_200025704644 [0,1,0,1,0,0|1,0,1]=4 1884 B11R2.21 [13CH3]Sc1cnc([nH]1)C2CC2 62a_200025704644_100010991395 [0,1,0,1,0,0|1,0,1]=4 1885 B11R2.21 [13CH3]Sc1cnc(s1)C2CC2 62a_100012360360_200025704644 [0,1,0,1,0,0|2,0,0]=4 1886 B11R2.21 [13CH3]Sc1cnc(s1)C2CC2 62a_200025704644_100012360360 [0,1,0,1,0,0|2,0,0]=4 1887 B11R2.21 [13CH3]Sc1csc(n1)C2CC2 62a_100012360350_200025704644 [0,1,0,1,0,0|0,0,0]=2 1888 B11R2.21 [13CH3]Sc1csc(n1)C2CC2 62a_200025704644_100012360350 [0,1,0,1,0,0|0,0,0]=2 1889 B11R2.21 [13CH3]Sc1noc(n1)C2CC2 62a_100000719345_200025704644 [0,1,0,1,0,0|1,1,0]=4 1890 B11R2.21 [13CH3]Sc1noc(n1)C2CC2 62a_200025704644_100000719345 [0,1,0,1,0,0|1,1,0]=4 1891 B11R2.355 Cc1cc(nn1C)C2CC2 271570a_100011220607_100012001299 [0,1,0,1,0,0|2,0,0]=4 1892 B11R2.355 Cc1cc(sc1C)C2CC2 271570a_100011220607_100009850898 [0,1,0,1,0,0|1,0,0]=3 1893 B11R2.355 Cc1nc(cn1C)C2CC2 271570a_100011220607_100000684932 [0,1,0,1,0,0|2,0,0]=4 1894 B11R2.355 Cc1nc(sc1C)C2CC2 271570a_100011220607_100000765934 [0,1,0,1,0,0|0,0,0]=2 1895 B11R2.355 Cn1nc(cc1N)C2CC2 271570a_100011220607_100000734454 [0,1,0,1,0,0|2,0,0]=4 1896 B11R2.355 Cn1nc(nc1N)C2CC2 271570a_100011220607_200010296169 [0,1,0,1,0,0|2,0,0]=4 1897 B11R2.356 Cc1cc(c(s1)C2CC2)C 271570a_100011220607_100000689295 [0,1,0,1,0,0|2,0,0]=4 1898 B11R2.356 Cc1cn(c(n1)C2CC2)C 271570a_100011220607_100009816808 [0,1,0,1,0,0|1,0,0]=3 1899 B11R2.356 Cc1cn(nc1C2CC2)C 271570a_100011220607_100012644376 [0,1,0,1,0,0|2,0,0]=4 1900 B11R2.356 Cc1nc(c(s1)C)C2CC2 271570a_100011220607_100010270876 [0,1,0,1,0,0|2,0,0]=4 1901 B11R2.1073 Cc1cnc(n1C)C2CC2 271570a_100011220607_100009816807 [0,1,0,1,0,0|1,0,1]=4 1902 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,1,0,1,0|0,1,0]=3 1903 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,0,1,0,1,0|1,1,0]=4 1904 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,0,1,0,1,0|1,1,0]=4 1905 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,0,1,0,0,1|2,0,0]=4 1906 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,0,1,0,0,1|2,0,0]=4 1907 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,0,1,0,0,1|2,0,0]=4 1908 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,0,1,0,0,1|2,0,0]=4 1909 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,0,1,0,0,1|2,0,0]=4 1910 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,0,1,0,0,1|2,0,0]=4 1911 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,0,1,0,0,1|2,0,0]=4 1912 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,1,0,0,1|1,0,1]=4 1913 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,1,0,0,1|1,0,1]=4 1914 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,0,0,0,0,1|2,0,0]=4 1915 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [1,0,0,0,0,1|2,0,0]=4 1916 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [1,0,0,0,0,1|2,0,0]=4 1917 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,0,0,0,0,1|2,0,0]=4 1918 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [1,0,0,0,0,1|2,0,0]=4 1919 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,0,0,0,0,1|2,0,0]=4 1920 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,0,0,0,0,1|2,0,0]=4 1921 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [1,0,0,0,0,1|2,0,0]=4 1922 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [1,0,0,0,0,1|2,0,0]=4 1923 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,0,0,0,0,1|2,0,0]=4 1924 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,0,0,0,0,1|2,0,0]=4 1925 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [1,0,0,0,0,1|2,0,0]=4 1926 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [1,0,0,0,0,1|2,0,0]=4 1927 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,0,0,0,0,1|2,0,0]=4 1928 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,0,0,0,0,1|2,0,0]=4 1929 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [1,0,0,0,0,1|2,0,0]=4 1930 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [1,0,0,0,0,1|2,0,0]=4 1931 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,0,0,0,0,1|2,0,0]=4 1932 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,0,0,0,0,1|2,0,0]=4 1933 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [1,0,0,0,0,1|2,0,0]=4 1934 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [1,0,0,0,0,1|2,0,0]=4 1935 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,0,0,1|1,0,1]=4 1936 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [1,0,0,0,0,1|1,0,1]=4 1937 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [1,0,0,0,0,1|0,1,1]=4 1938 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [1,0,0,0,0,1|0,0,1]=3 1939 B9R1.13 CC(=Cc1ncns1)C 271570a_100102525489_100000693119 [1,0,0,0,0,1|1,0,1]=4 1940 B9R1.13 CC(=Cc1nncs1)C 271570a_100102525489_100000739804 [1,0,0,0,0,1|1,0,1]=4 1941 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,0,0,1|1,0,1]=4 1942 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [1,0,0,0,0,1|1,0,0]=3 1943 B9R1.13 CC(C)Nc1nncs1 27a_100138425928_100000739804 [1,0,0,0,0,1|1,0,0]=3 1944 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000210206_100000756875 [1,0,0,0,0,1|2,0,0]=4 1945 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000756875_100000210206 [1,0,0,0,0,1|2,0,0]=4 1946 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000062575_100000210206 [1,0,0,0,0,1|2,0,0]=4 1947 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000210206_100000062575 [1,0,0,0,0,1|2,0,0]=4 1948 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,0,0,0,0,1|1,1,0]=4 1949 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,0,0,0,0,1|1,1,0]=4 1950 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,0,0,0,0,1|1,0,0]=3 1951 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,0,0,0,0,1|1,0,0]=3 1952 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [1,0,0,0,0,1|2,0,0]=4 1953 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [1,0,0,0,0,1|2,0,0]=4 1954 B9R1.13 CC(C)Sc1ccsn1 62a_100000210206_100009818082 [1,0,0,0,0,1|2,0,0]=4 1955 B9R1.13 CC(C)Sc1ccsn1 62a_100009818082_100000210206 [1,0,0,0,0,1|2,0,0]=4 1956 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [1,0,0,0,0,1|2,0,0]=4 1957 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [1,0,0,0,0,1|2,0,0]=4 1958 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [1,0,0,0,0,1|2,0,0]=4 1959 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [1,0,0,0,0,1|2,0,0]=4 1960 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000210206_100000761765 [1,0,0,0,0,1|2,0,0]=4 1961 B9R1.13 CC(C)Sc1nc[nH]n1 62a_100000761765_100000210206 [1,0,0,0,0,1|2,0,0]=4 1962 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [1,0,0,0,0,1|1,0,0]=3 1963 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [1,0,0,0,0,1|1,0,0]=3 1964 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [1,0,0,0,0,1|0,1,0]=3 1965 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [1,0,0,0,0,1|0,1,0]=3 1966 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [1,0,0,0,0,1|0,0,0]=2 1967 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [1,0,0,0,0,1|0,0,0]=2 1968 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [1,0,0,0,0,1|1,0,0]=3 1969 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [1,0,0,0,0,1|1,0,0]=3 1970 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [1,0,0,0,0,1|1,0,0]=3 1971 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [1,0,0,0,0,1|1,0,0]=3 1972 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,0,0,0,0,1|2,0,0]=4 1973 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,0,0,0,0,1|2,0,0]=4 1974 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,0,0,0,0,1|2,0,0]=4 1975 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [1,0,0,0,0,1|2,0,0]=4 1976 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [1,0,0,0,0,1|2,0,0]=4 1977 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [1,0,0,0,0,1|2,0,0]=4 1978 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [1,0,0,0,0,1|2,0,0]=4 1979 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [1,0,0,0,0,1|1,1,0]=4 1980 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [1,0,0,0,0,1|1,1,0]=4 1981 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [1,0,0,0,0,1|1,1,0]=4 1982 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [1,0,0,0,0,1|1,0,0]=3 1983 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [1,0,0,0,0,1|1,0,0]=3 1984 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [1,0,0,0,0,1|1,0,0]=3 1985 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [1,0,0,0,0,1|1,0,0]=3 1986 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [1,0,0,0,0,1|1,0,0]=3 1987 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,0,0,0,0,1|2,0,0]=4 1988 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,0,0,0,0,1|2,0,0]=4 1989 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [1,0,0,0,0,1|2,0,0]=4 1990 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [1,0,0,0,0,1|2,0,0]=4 1991 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [1,0,0,0,0,1|1,0,0]=3 1992 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [1,0,0,0,0,1|1,0,0]=3 1993 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,0,0,0,0,2|1,0,1]=4 1994 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [0,0,0,0,0,2|1,0,1]=4 1995 B11R1.20 CC(=Cc1ccc(nn1)C)C 271570a_100102525489_100011450037 [0,0,0,0,0,2|1,0,1]=4 1996 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,0,0,0,0,2|1,0,1]=4 1997 B11R1.20 CC(=Cc1ncc(cn1)C)C 271570a_100102525489_100011825175 [0,0,0,0,0,2|1,0,1]=4 1998 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [0,0,0,0,0,2|2,0,0]=4 1999 B11R1.20 CC(C)Nc1ccc(nn1)O 271570a_203496583355_200011242954 [0,0,0,0,0,2|2,0,0]=4 2000 B11R1.20 CC(C)Nc1cnc(cn1)Br 27a_100138425928_100010187541 [0,0,0,0,0,2|2,0,0]=4 2001 B11R1.20 CC(C)Nc1cnc(cn1)F 27a_100138425928_100009856528 [0,0,0,0,0,2|2,0,0]=4 2002 B11R1.20 CC(C)Nc1ncc(cn1)Br 27a_100138425928_100000690281 [0,0,0,0,0,2|2,0,0]=4 2003 B11R1.20 CC(C)Nc1ncc(cn1)Cl 27a_100138425928_100011356929 [0,0,0,0,0,2|2,0,0]=4 2004 B11R1.20 CC(C)Nc1ncc(cn1)F 27a_100138425928_100000685220 [0,0,0,0,0,2|2,0,0]=4 2005 B11R1.20 CC(C)Nc1ncc(cn1)O 271570a_203496583355_100011934052 [0,0,0,0,0,2|2,0,0]=4 2006 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [0,0,0,0,0,2|2,0,0]=4 2007 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [0,0,0,0,0,2|2,0,0]=4 2008 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [0,0,0,0,0,2|2,0,0]=4 2009 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [0,0,0,0,0,2|2,0,0]=4 2010 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [0,0,0,0,0,2|2,0,0]=4 2011 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [0,0,0,0,0,2|2,0,0]=4 2012 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [0,0,0,0,0,2|2,0,0]=4 2013 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [0,0,0,0,0,2|2,0,0]=4 2014 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [0,0,0,0,0,2|2,0,0]=4 2015 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [0,0,0,0,0,2|2,0,0]=4 2016 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [0,0,0,0,0,2|2,0,0]=4 2017 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [0,0,0,0,0,2|2,0,0]=4 2018 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [0,0,0,0,0,2|2,0,0]=4 2019 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [0,0,0,0,0,2|2,0,0]=4 2020 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [0,0,0,0,0,2|2,0,0]=4 2021 B11R1.20 CC(C)Oc1ccc(nn1)O 271570a_203496583355_100011211678 [0,0,0,0,0,2|2,0,0]=4 2022 B11R1.20 CC(C)Oc1cnc(cn1)Br 34a_100011934580_100000210206 [0,0,0,0,0,2|2,0,0]=4 2023 B11R1.20 CC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210206 [0,0,0,0,0,2|2,0,0]=4 2024 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [0,0,0,0,0,2|2,0,0]=4 2025 B11R1.20 CC(C)Oc1ncc(cn1)F 34a_100011934040_100000210206 [0,0,0,0,0,2|2,0,0]=4 2026 B11R1.20 CC(C)Oc1ncc(cn1)O 271570a_203496583355_200011939451 [0,0,0,0,0,2|2,0,0]=4 2027 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100000210206_100009820020 [0,0,0,0,0,2|2,0,0]=4 2028 B11R1.20 CC(C)Sc1ccc(=O)[nH]n1 62a_100009820020_100000210206 [0,0,0,0,0,2|2,0,0]=4 2029 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [0,0,0,0,0,2|2,0,0]=4 2030 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [0,0,0,0,0,2|2,0,0]=4 2031 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [0,0,0,0,0,2|2,0,0]=4 2032 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [0,0,0,0,0,2|2,0,0]=4 2033 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [0,0,0,0,0,2|2,0,0]=4 2034 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [0,0,0,0,0,2|2,0,0]=4 2035 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [0,0,0,0,0,2|2,0,0]=4 2036 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [0,0,0,0,0,2|2,0,0]=4 2037 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [0,0,0,0,0,2|2,0,0]=4 2038 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [0,0,0,0,0,2|2,0,0]=4 2039 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [0,0,0,0,0,2|2,0,0]=4 2040 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [0,0,0,0,0,2|2,0,0]=4 2041 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [0,0,0,0,0,2|2,0,0]=4 2042 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [0,0,0,0,0,2|2,0,0]=4 2043 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [0,0,0,0,0,2|2,0,0]=4 2044 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [0,0,0,0,0,2|2,0,0]=4 2045 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [0,0,0,0,0,2|2,0,0]=4 2046 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [0,0,0,0,0,2|2,0,0]=4 2047 B11R1.20 CC(C)Sc1ccc(nn1)Cl 62a_100000068654_100000210206 [0,0,0,0,0,2|2,0,0]=4 2048 B11R1.20 CC(C)Sc1ccc(nn1)Cl 62a_100000210206_100000068654 [0,0,0,0,0,2|2,0,0]=4 2049 B11R1.20 CC(C)Sc1ccc(nn1)N 62a_100000210206_100010219413 [0,0,0,0,0,2|2,0,0]=4 2050 B11R1.20 CC(C)Sc1ccc(nn1)N 62a_100010219413_100000210206 [0,0,0,0,0,2|2,0,0]=4 2051 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100000210206_100010187541 [0,0,0,0,0,2|2,0,0]=4 2052 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100010187541_100000210206 [0,0,0,0,0,2|2,0,0]=4 2053 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100000210206_100010214907 [0,0,0,0,0,2|2,0,0]=4 2054 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000210206 [0,0,0,0,0,2|2,0,0]=4 2055 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100000210206_100009856528 [0,0,0,0,0,2|2,0,0]=4 2056 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100009856528_100000210206 [0,0,0,0,0,2|2,0,0]=4 2057 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000210206_100000744751 [0,0,0,0,0,2|2,0,0]=4 2058 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000744751_100000210206 [0,0,0,0,0,2|2,0,0]=4 2059 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [0,0,0,0,0,2|2,0,0]=4 2060 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [0,0,0,0,0,2|2,0,0]=4 2061 B11R1.20 CC(C)Sc1ncc(cn1)Br 62a_100000210206_100000690281 [0,0,0,0,0,2|2,0,0]=4 2062 B11R1.20 CC(C)Sc1ncc(cn1)Br 62a_100000690281_100000210206 [0,0,0,0,0,2|2,0,0]=4 2063 B11R1.20 CC(C)Sc1ncc(cn1)Cl 62a_100000210206_100011356929 [0,0,0,0,0,2|2,0,0]=4 2064 B11R1.20 CC(C)Sc1ncc(cn1)Cl 62a_100011356929_100000210206 [0,0,0,0,0,2|2,0,0]=4 2065 B11R1.20 CC(C)Sc1ncc(cn1)F 62a_100000210206_100000685220 [0,0,0,0,0,2|2,0,0]=4 2066 B11R1.20 CC(C)Sc1ncc(cn1)F 62a_100000685220_100000210206 [0,0,0,0,0,2|2,0,0]=4 2067 B11R1.20 CC(C)Sc1ncc(cn1)N 62a_100000068403_100000210206 [0,0,0,0,0,2|2,0,0]=4 2068 B11R1.20 CC(C)Sc1ncc(cn1)N 62a_100000210206_100000068403 [0,0,0,0,0,2|2,0,0]=4 2069 B11R1.20 CC(C)Sc1ncc(cn1)O 271570a_203496583355_200011939557 [0,0,0,0,0,2|2,0,0]=4 2070 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000210206_100000092845 [0,0,0,0,0,2|2,0,0]=4 2071 B11R1.20 CC(C)Sc1ncc(cn1)O 62a_100000730009_100000210206 [0,0,0,0,0,2|2,0,0]=4 2072 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,0,0,0,0,2|2,0,0]=4 2073 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,0,0,0,0,2|2,0,0]=4 2074 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,0,0,0,0,2|2,0,0]=4 2075 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,0,0,0,0,2|2,0,0]=4 2076 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,0,0,0,0,2|2,0,0]=4 2077 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [0,0,0,0,0,2|2,0,0]=4 2078 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [0,0,0,0,0,2|2,0,0]=4 2079 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [0,0,0,0,0,2|2,0,0]=4 2080 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [0,0,0,0,0,2|2,0,0]=4 2081 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [0,0,0,0,0,2|2,0,0]=4 2082 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [0,0,0,0,0,2|2,0,0]=4 2083 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [0,0,0,0,0,2|2,0,0]=4 2084 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [0,0,0,0,0,2|2,0,0]=4 2085 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [0,0,0,0,0,2|2,0,0]=4 2086 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [0,0,0,0,0,2|1,0,0]=3 2087 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [0,0,0,0,0,2|1,0,0]=3 2088 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [0,0,0,0,0,2|1,0,0]=3 2089 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [0,0,0,0,0,2|1,0,0]=3 2090 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [0,0,0,0,0,2|2,0,0]=4 2091 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [0,0,0,0,0,2|2,0,0]=4 2092 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [0,0,0,0,0,2|2,0,0]=4 2093 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [0,0,0,0,0,2|2,0,0]=4 2094 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [0,0,0,0,0,2|2,0,0]=4 2095 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [0,0,0,0,0,2|2,0,0]=4 2096 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [0,0,0,0,0,2|2,0,0]=4 2097 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [0,0,0,0,0,2|1,0,0]=3 2098 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [0,0,0,0,0,2|1,0,0]=3 2099 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [0,0,0,0,0,2|1,0,0]=3 2100 B11R1.20 Cc1ccc(nn1)NC(C)C 27a_100138425928_100000744512 [0,0,0,0,0,2|1,0,0]=3 2101 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000210206_100000744512 [0,0,0,0,0,2|1,0,0]=3 2102 B11R1.20 Cc1ccc(nn1)SC(C)C 62a_100000744512_100000210206 [0,0,0,0,0,2|1,0,0]=3 2103 B11R1.20 Cc1cnc(cn1)CN(C)C 2230a_100102631434_100000752025 [0,0,0,0,0,2|2,0,0]=4 2104 B11R1.20 Cc1cnc(cn1)CN(C)C 269982a_100102631434_100000752025 [0,0,0,0,0,2|2,0,0]=4 2105 B11R1.20 Cc1cnc(cn1)CN(C)C 270004a_100102631434_100000685221 [0,0,0,0,0,2|2,0,0]=4 2106 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [0,0,0,0,0,2|1,0,0]=3 2107 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100000210206_100011999403 [0,0,0,0,0,2|1,0,0]=3 2108 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100011999403_100000210206 [0,0,0,0,0,2|1,0,0]=3 2109 B11R1.20 Cc1cnc(nc1)CN(C)C 2230a_100102631434_100000685645 [0,0,0,0,0,2|2,0,0]=4 2110 B11R1.20 Cc1cnc(nc1)CN(C)C 269982a_100102631434_100000685645 [0,0,0,0,0,2|2,0,0]=4 2111 B11R1.20 Cc1cnc(nc1)NC(C)C 27a_100138425928_100000061069 [0,0,0,0,0,2|1,0,0]=3 2112 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000061069_100000210206 [0,0,0,0,0,2|1,0,0]=3 2113 B11R1.20 Cc1cnc(nc1)SC(C)C 62a_100000210206_100000061069 [0,0,0,0,0,2|1,0,0]=3 2114 B11R1.20 Cc1ncc(cn1)OC(C)C 34a_100000062939_100000210206 [0,0,0,0,0,2|2,0,0]=4 2115 B11R1.20 Cc1ncc(cn1)OC(C)C 7a_100000062939_100000210206 [0,0,0,0,0,2|2,0,0]=4 2116 B11R1.20 Cc1ncc(cn1)SC(C)C 62a_100000210206_100000686985 [0,0,0,0,0,2|2,0,0]=4 2117 B11R1.20 Cc1ncc(cn1)SC(C)C 62a_100000686985_100000210206 [0,0,0,0,0,2|2,0,0]=4 2118 B11R1.75 C=C(C)CSc1nc(cs1)C 62a_100000748629_100011291629 [0,0,0,0,0,2|0,0,2]=4 2119 B11R1.75 C=C(C)CSc1nc(cs1)C 62a_100011291629_100000211660 [0,0,0,0,0,2|0,0,2]=4 2120 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,0,0,0,0,2|1,0,1]=4 2121 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,0,0,0,0,2|1,0,1]=4 2122 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,0,0,0,0,2|1,0,1]=4 2123 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,0,0,0,0,2|1,0,1]=4 2124 B11R1.75 CC(=O)NNc1nc(cs1)C 22a_100000692962_100000070787 [0,0,0,0,0,2|1,0,1]=4 2125 B11R1.75 CC(C)C=Cc1ccn(n1)C 271570a_100016257149_100000752436 [0,0,0,0,0,2|2,0,0]=4 2126 B11R1.75 CC(C)C=Cc1nc(cs1)Br 271570a_100016257149_200016082925 [0,0,0,0,0,2|1,0,0]=3 2127 B11R1.75 CC(C)C=Cc1nc(cs1)N 271570a_100016257149_200015188442 [0,0,0,0,0,2|1,0,0]=3 2128 B11R1.75 CC(C)C=Cc1ncn(n1)C 271570a_100016257149_100009819955 [0,0,0,0,0,2|2,0,0]=4 2129 B11R1.75 CC(C)COc1ccn(n1)C 34a_100012642153_100000210624 [0,0,0,0,0,2|2,0,0]=4 2130 B11R1.75 CC(C)CSc1ccn(n1)C 62a_100000210624_100000752436 [0,0,0,0,0,2|2,0,0]=4 2131 B11R1.75 CC(C)CSc1ccn(n1)C 62a_100000752436_100000210760 [0,0,0,0,0,2|2,0,0]=4 2132 B11R1.75 CC(C)CSc1nc(cs1)Br 62a_100000210624_200016082925 [0,0,0,0,0,2|1,0,0]=3 2133 B11R1.75 CC(C)CSc1nc(cs1)Br 62a_200016082925_100000210760 [0,0,0,0,0,2|1,0,0]=3 2134 B11R1.75 CC(C)CSc1nc(cs1)N 62a_100000210624_200015188442 [0,0,0,0,0,2|1,0,0]=3 2135 B11R1.75 CC(C)CSc1nc(cs1)N 62a_200015188442_100000210760 [0,0,0,0,0,2|1,0,0]=3 2136 B11R1.75 CC(C)CSc1ncn(n1)C 62a_100000210624_100009819955 [0,0,0,0,0,2|2,0,0]=4 2137 B11R1.75 CC(C)CSc1ncn(n1)C 62a_100009819955_100000210760 [0,0,0,0,0,2|2,0,0]=4 2138 B11R1.75 CC(C)NCc1cc(cs1)Br 207a_100138425928_100000211722 [0,0,0,0,0,2|2,0,0]=4 2139 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100000741024_100000210206 [0,0,0,0,0,2|2,0,0]=4 2140 B11R1.75 CC(C)NCc1cc(cs1)Br 2230a_100138425928_100000746031 [0,0,0,0,0,2|2,0,0]=4 2141 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100000741024_100000210206 [0,0,0,0,0,2|2,0,0]=4 2142 B11R1.75 CC(C)NCc1cc(cs1)Br 34a_100138425928_100000746031 [0,0,0,0,0,2|2,0,0]=4 2143 B11R1.75 CC(C)NCc1cc(cs1)Cl 207a_100138425928_100000102487 [0,0,0,0,0,2|2,0,0]=4 2144 B11R1.75 CC(C)NCc1cc(cs1)I 207a_100138425928_100010179861 [0,0,0,0,0,2|2,0,0]=4 2145 B11R1.75 CC(C)NCc1ccn(n1)C 207a_100138425928_100000750880 [0,0,0,0,0,2|2,0,0]=4 2146 B11R1.75 CC(C)NCc1ccn(n1)C 2230a_100020636201_100000210206 [0,0,0,0,0,2|2,0,0]=4 2147 B11R1.75 CC(C)NCc1ccn(n1)C 2230a_100138425928_100000726502 [0,0,0,0,0,2|2,0,0]=4 2148 B11R1.75 CC(C)NCc1ccn(n1)C 34a_100020636201_100000210206 [0,0,0,0,0,2|2,0,0]=4 2149 B11R1.75 CC(C)NCc1ccn(n1)C 34a_100138425928_100000726502 [0,0,0,0,0,2|2,0,0]=4 2150 B11R1.75 CC(C)NCc1ncn(n1)C 207a_100138425928_100010630104 [0,0,0,0,0,2|2,0,0]=4 2151 B11R1.75 CC(C)NCc1ncn(n1)C 2230a_100000695864_100000210206 [0,0,0,0,0,2|2,0,0]=4 2152 B11R1.75 CC(C)NCc1ncn(n1)C 2230a_100138425928_100016995526 [0,0,0,0,0,2|2,0,0]=4 2153 B11R1.75 CC(C)NCc1ncn(n1)C 34a_100138425928_100016995526 [0,0,0,0,0,2|2,0,0]=4 2154 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000212225_100000746031 [0,0,0,0,0,2|2,0,0]=4 2155 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000238369_100000210206 [0,0,0,0,0,2|2,0,0]=4 2156 B11R1.75 CC(C)OCc1cc(cs1)Br 7a_100000238369_100000210206 [0,0,0,0,0,2|2,0,0]=4 2157 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000212225_100000726502 [0,0,0,0,0,2|2,0,0]=4 2158 B11R1.75 CC(C)OCc1ccn(n1)C 34a_100000744484_100000210206 [0,0,0,0,0,2|2,0,0]=4 2159 B11R1.75 CC(C)OCc1nc(cs1)Br 7a_100012000107_100000210206 [0,0,0,0,0,2|1,0,0]=3 2160 B11R1.75 CC(C)OCc1ncn(n1)C 34a_100000212225_100016995526 [0,0,0,0,0,2|2,0,0]=4 2161 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000210206_100000746031 [0,0,0,0,0,2|2,0,0]=4 2162 B11R1.75 CC(C)SCc1cc(cs1)Br 62a_100000746031_100000210206 [0,0,0,0,0,2|2,0,0]=4 2163 B11R1.75 CC(C)SCc1ccn(n1)C 62a_100000210206_100000726502 [0,0,0,0,0,2|2,0,0]=4 2164 B11R1.75 CC(C)SCc1ccn(n1)C 62a_100000726502_100000210206 [0,0,0,0,0,2|2,0,0]=4 2165 B11R1.75 CC(C)SCc1ncn(n1)C 62a_100000210206_100016995526 [0,0,0,0,0,2|2,0,0]=4 2166 B11R1.75 CC(C)SCc1ncn(n1)C 62a_100016995526_100000210206 [0,0,0,0,0,2|2,0,0]=4 2167 B11R1.75 CC(O)C=Cc1nc(cs1)Br 271570a_200011019289_200016082925 [0,0,0,0,0,2|2,0,0]=4 2168 B11R1.75 CC(O)C=Cc1nc(cs1)N 271570a_200011019289_200015188442 [0,0,0,0,0,2|2,0,0]=4 2169 B11R1.75 CC(O)CSc1nc(cs1)Br 62a_100011218427_200016082925 [0,0,0,0,0,2|2,0,0]=4 2170 B11R1.75 CC(O)CSc1nc(cs1)Br 62a_200016082925_100011218427 [0,0,0,0,0,2|2,0,0]=4 2171 B11R1.75 CC(O)CSc1nc(cs1)N 62a_100011218427_200015188442 [0,0,0,0,0,2|2,0,0]=4 2172 B11R1.75 CC(O)CSc1nc(cs1)N 62a_200015188442_100011218427 [0,0,0,0,0,2|2,0,0]=4 2173 B11R1.75 C[C@@H](O)CSc1nc(cs1)Br 62a_100009817552_200016082925 [0,0,0,0,0,2|2,0,0]=4 2174 B11R1.75 C[C@@H](O)CSc1nc(cs1)Br 62a_200016082925_100009817552 [0,0,0,0,0,2|2,0,0]=4 2175 B11R1.75 C[C@@H](O)CSc1nc(cs1)N 62a_100009817552_200015188442 [0,0,0,0,0,2|2,0,0]=4 2176 B11R1.75 C[C@@H](O)CSc1nc(cs1)N 62a_200015188442_100009817552 [0,0,0,0,0,2|2,0,0]=4 2177 B11R1.75 Cc1c[nH]c(n1)C=CC(C)C 271570a_100016257149_100161115468 [0,0,0,0,0,2|1,0,0]=3 2178 B11R1.75 Cc1c[nH]c(n1)C=CC(C)O 271570a_200011019289_100161115468 [0,0,0,0,0,2|2,0,0]=4 2179 B11R1.75 Cc1c[nH]c(n1)CNC(C)C 207a_100138425928_100000082322 [0,0,0,0,0,2|1,0,0]=3 2180 B11R1.75 Cc1c[nH]c(n1)SCC(C)C 62a_100000210624_100161115468 [0,0,0,0,0,2|1,0,0]=3 2181 B11R1.75 Cc1c[nH]c(n1)SCC(C)C 62a_100161115468_100000210760 [0,0,0,0,0,2|1,0,0]=3 2182 B11R1.75 Cc1c[nH]c(n1)SCC(C)O 62a_100011218427_100161115468 [0,0,0,0,0,2|2,0,0]=4 2183 B11R1.75 Cc1c[nH]c(n1)SCC(C)O 62a_100161115468_100011218427 [0,0,0,0,0,2|2,0,0]=4 2184 B11R1.75 Cc1c[nH]c(n1)SC[C@@H](C)O 62a_100009817552_100161115468 [0,0,0,0,0,2|2,0,0]=4 2185 B11R1.75 Cc1c[nH]c(n1)SC[C@@H](C)O 62a_100161115468_100009817552 [0,0,0,0,0,2|2,0,0]=4 2186 B11R1.75 Cc1cc(sn1)C=CC(C)C 271570a_100016257149_100009815735 [0,0,0,0,0,2|2,0,0]=4 2187 B11R1.75 Cc1cc(sn1)SCC(C)C 62a_100000210624_100009815735 [0,0,0,0,0,2|2,0,0]=4 2188 B11R1.75 Cc1cc(sn1)SCC(C)C 62a_100009815735_100000210760 [0,0,0,0,0,2|2,0,0]=4 2189 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,0,0,0,0,2|2,0,0]=4 2190 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,0,0,0,0,2|2,0,0]=4 2191 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,0,0,0,0,2|2,0,0]=4 2192 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,0,0,0,0,2|2,0,0]=4 2193 B11R1.75 Cc1ccc(s1)C=CC(C)C 271570a_100016257149_100000761539 [0,0,0,0,0,2|2,0,0]=4 2194 B11R1.75 Cc1ccc(s1)CNC(C)C 207a_100138425928_100000211121 [0,0,0,0,0,2|2,0,0]=4 2195 B11R1.75 Cc1ccc(s1)CNC(C)C 2230a_100000238518_100000210206 [0,0,0,0,0,2|2,0,0]=4 2196 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,0,0,0,0,2|2,0,0]=4 2197 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000031368_100000210760 [0,0,0,0,0,2|2,0,0]=4 2198 B11R1.75 Cc1ccc(s1)SCC(C)C 62a_100000210624_100000031368 [0,0,0,0,0,2|2,0,0]=4 2199 B11R1.75 Cc1cnc(o1)CNC(C)C 2230a_100138411809_100000210206 [0,0,0,0,0,2|2,0,0]=4 2200 B11R1.75 Cc1cnc(o1)CNC(C)C 34a_100138411809_100000210206 [0,0,0,0,0,2|2,0,0]=4 2201 B11R1.75 Cc1cnc(s1)C=CC(C)C 271570a_100016257149_100000690809 [0,0,0,0,0,2|2,0,0]=4 2202 B11R1.75 Cc1cnc(s1)CNC(C)C 207a_100138425928_100011361622 [0,0,0,0,0,2|2,0,0]=4 2203 B11R1.75 Cc1cnc(s1)SCC(C)C 62a_100000210624_100000690809 [0,0,0,0,0,2|2,0,0]=4 2204 B11R1.75 Cc1cnc(s1)SCC(C)C 62a_100000690809_100000210760 [0,0,0,0,0,2|2,0,0]=4 2205 B11R1.75 Cc1csc(c1)C=CC(C)C 271570a_100016257149_100009876951 [0,0,0,0,0,2|1,0,0]=3 2206 B11R1.75 Cc1csc(c1)C=CC(C)O 271570a_200011019289_100009876951 [0,0,0,0,0,2|2,0,0]=4 2207 B11R1.75 Cc1csc(c1)CNC(C)C 207a_100138425928_100102525248 [0,0,0,0,0,2|1,0,0]=3 2208 B11R1.75 Cc1csc(c1)CNC(C)C 2230a_100015204214_100000210206 [0,0,0,0,0,2|1,0,0]=3 2209 B11R1.75 Cc1csc(c1)CNC(C)C 34a_100015204214_100000210206 [0,0,0,0,0,2|1,0,0]=3 2210 B11R1.75 Cc1csc(c1)COC(C)C 34a_200000068372_100000210206 [0,0,0,0,0,2|1,0,0]=3 2211 B11R1.75 Cc1csc(c1)COC(C)C 7a_200000068372_100000210206 [0,0,0,0,0,2|1,0,0]=3 2212 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100000210624_100009876951 [0,0,0,0,0,2|1,0,0]=3 2213 B11R1.75 Cc1csc(c1)SCC(C)C 62a_100009876951_100000210760 [0,0,0,0,0,2|1,0,0]=3 2214 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100009876951_100011218427 [0,0,0,0,0,2|2,0,0]=4 2215 B11R1.75 Cc1csc(c1)SCC(C)O 62a_100011218427_100009876951 [0,0,0,0,0,2|2,0,0]=4 2216 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009817552_100009876951 [0,0,0,0,0,2|2,0,0]=4 2217 B11R1.75 Cc1csc(c1)SC[C@@H](C)O 62a_100009876951_100009817552 [0,0,0,0,0,2|2,0,0]=4 2218 B11R1.75 Cc1csc(n1)C=CC(C)C 271570a_100016257149_100011291629 [0,0,0,0,0,2|0,0,0]=2 2219 B11R1.75 Cc1csc(n1)C=CC(C)O 271570a_200011019289_100011291629 [0,0,0,0,0,2|1,0,0]=3 2220 B11R1.75 Cc1csc(n1)CNC(C)C 207a_100138425928_100000756994 [0,0,0,0,0,2|0,0,0]=2 2221 B11R1.75 Cc1csc(n1)CNC(C)C 2230a_100015183719_100000210206 [0,0,0,0,0,2|0,0,0]=2 2222 B11R1.75 Cc1csc(n1)SCC(C)C 62a_100000210624_100011291629 [0,0,0,0,0,2|0,0,0]=2 2223 B11R1.75 Cc1csc(n1)SCC(C)C 62a_100011291629_100000210760 [0,0,0,0,0,2|0,0,0]=2 2224 B11R1.75 Cc1csc(n1)SCC(C)O 62a_100011218427_100011291629 [0,0,0,0,0,2|1,0,0]=3 2225 B11R1.75 Cc1csc(n1)SCC(C)O 62a_100011291629_100011218427 [0,0,0,0,0,2|1,0,0]=3 2226 B11R1.75 Cc1csc(n1)SCC(F)F 62a_100011291629_100011934356 [0,0,0,0,0,2|2,0,0]=4 2227 B11R1.75 Cc1csc(n1)SCC(F)F 62a_100011934356_100011291629 [0,0,0,0,0,2|2,0,0]=4 2228 B11R1.75 Cc1csc(n1)SC[C@@H](C)O 62a_100009817552_100011291629 [0,0,0,0,0,2|1,0,0]=3 2229 B11R1.75 Cc1csc(n1)SC[C@@H](C)O 62a_100011291629_100009817552 [0,0,0,0,0,2|1,0,0]=3 2230 B11R1.75 Cc1nc(c[nH]1)C=CC(C)C 271570a_100016257149_100009814057 [0,0,0,0,0,2|2,0,0]=4 2231 B11R1.75 Cc1nc(c[nH]1)CNC(C)C 207a_100138425928_100011219055 [0,0,0,0,0,2|2,0,0]=4 2232 B11R1.75 Cc1nc(c[nH]1)SCC(C)C 62a_100000210624_100009814057 [0,0,0,0,0,2|2,0,0]=4 2233 B11R1.75 Cc1nc(c[nH]1)SCC(C)C 62a_100009814057_100000210760 [0,0,0,0,0,2|2,0,0]=4 2234 B11R1.75 Cc1nc(co1)CNC(C)C 207a_100138425928_100011361629 [0,0,0,0,0,2|2,0,0]=4 2235 B11R1.75 Cc1nc(co1)COC(C)C 34a_100012017233_100000210206 [0,0,0,0,0,2|2,0,0]=4 2236 B11R1.75 Cc1nc(cs1)C=CC(C)C 271570a_100016257149_100011934587 [0,0,0,0,0,2|2,0,0]=4 2237 B11R1.75 Cc1nc(cs1)CNC(C)C 207a_100138425928_100000203724 [0,0,0,0,0,2|2,0,0]=4 2238 B11R1.75 Cc1nc(cs1)CNC(C)C 2230a_100138425928_100015186478 [0,0,0,0,0,2|2,0,0]=4 2239 B11R1.75 Cc1nc(cs1)CNC(C)C 34a_100000707933_100000210206 [0,0,0,0,0,2|2,0,0]=4 2240 B11R1.75 Cc1nc(cs1)CNC(C)C 34a_100138425928_100015186478 [0,0,0,0,0,2|2,0,0]=4 2241 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000212225_100015186478 [0,0,0,0,0,2|2,0,0]=4 2242 B11R1.75 Cc1nc(cs1)COC(C)C 34a_100000735831_100000210206 [0,0,0,0,0,2|2,0,0]=4 2243 B11R1.75 Cc1nc(cs1)CSC(C)C 62a_100000210206_100015186478 [0,0,0,0,0,2|2,0,0]=4 2244 B11R1.75 Cc1nc(cs1)CSC(C)C 62a_100015186478_100000210206 [0,0,0,0,0,2|2,0,0]=4 2245 B11R1.75 Cc1nc(cs1)SCC(C)C 62a_100000210624_100011934587 [0,0,0,0,0,2|2,0,0]=4 2246 B11R1.75 Cc1nc(cs1)SCC(C)C 62a_100011934587_100000210760 [0,0,0,0,0,2|2,0,0]=4 2247 B11R1.75 Cc1nc(n[nH]1)C=CC(C)C 271570a_100016257149_100000732540 [0,0,0,0,0,2|2,0,0]=4 2248 B11R1.75 Cc1nc(n[nH]1)CNC(C)C 2230a_100000752542_100000210206 [0,0,0,0,0,2|2,0,0]=4 2249 B11R1.75 Cc1nc(n[nH]1)SCC(C)C 62a_100000210624_100000732540 [0,0,0,0,0,2|2,0,0]=4 2250 B11R1.75 Cc1nc(n[nH]1)SCC(C)C 62a_100000732540_100000210760 [0,0,0,0,0,2|2,0,0]=4 2251 B11R1.75 Cc1nc(no1)C=CC(C)C 271570a_100016257149_100012003639 [0,0,0,0,0,2|2,0,0]=4 2252 B11R1.75 Cc1nc(no1)CCC(C)C 270196a_100000741222_100000070787 [0,0,0,0,0,2|2,0,0]=4 2253 B11R1.75 Cc1nc(no1)CNC(C)C 2230a_100138425928_100000231061 [0,0,0,0,0,2|2,0,0]=4 2254 B11R1.75 Cc1nc(no1)CNC(C)C 34a_100138425928_100000231061 [0,0,0,0,0,2|2,0,0]=4 2255 B11R1.75 Cc1nc(no1)COC(C)C 34a_100000212225_100000231061 [0,0,0,0,0,2|2,0,0]=4 2256 B11R1.75 Cc1nc(no1)CSC(C)C 62a_100000210206_100000231061 [0,0,0,0,0,2|2,0,0]=4 2257 B11R1.75 Cc1nc(no1)CSC(C)C 62a_100000231061_100000210206 [0,0,0,0,0,2|2,0,0]=4 2258 B11R1.75 Cc1nc(no1)NCC(C)C 27a_100000210953_100012003639 [0,0,0,0,0,2|2,0,0]=4 2259 B11R1.75 Cc1nc(no1)SCC(C)C 62a_100000210624_100012003639 [0,0,0,0,0,2|2,0,0]=4 2260 B11R1.75 Cc1nc(no1)SCC(C)C 62a_100012003639_100000210760 [0,0,0,0,0,2|2,0,0]=4 2261 B11R1.75 Cc1noc(n1)CCC(C)C 270196a_100000212224_100000181311 [0,0,0,0,0,2|1,1,0]=4 2262 B11R1.75 Cc1noc(n1)CNC(C)C 2230a_100138425928_100000735555 [0,0,0,0,0,2|1,1,0]=4 2263 B11R1.75 Cc1noc(n1)CNC(C)C 34a_100138425928_100000735555 [0,0,0,0,0,2|1,1,0]=4 2264 B11R1.75 Cc1noc(n1)COC(C)C 270196a_100000212224_100000745533 [0,0,0,0,0,2|1,1,0]=4 2265 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000212225_100000735555 [0,0,0,0,0,2|1,1,0]=4 2266 B11R1.75 Cc1noc(n1)COC(C)C 34a_100000749583_100000210206 [0,0,0,0,0,2|1,1,0]=4 2267 B11R1.75 Cc1noc(n1)CSC(C)C 270196a_100000212224_100000241585 [0,0,0,0,0,2|1,1,0]=4 2268 B11R1.75 Cc1noc(n1)CSC(C)C 62a_100000210206_100000735555 [0,0,0,0,0,2|1,1,0]=4 2269 B11R1.75 Cc1noc(n1)CSC(C)C 62a_100000735555_100000210206 [0,0,0,0,0,2|1,1,0]=4 2270 B11R1.75 Cc1nsc(n1)C=CC(C)C 271570a_100016257149_100000709739 [0,0,0,0,0,2|1,0,0]=3 2271 B11R1.75 Cc1nsc(n1)C=CC(C)O 271570a_200011019289_100000709739 [0,0,0,0,0,2|2,0,0]=4 2272 B11R1.75 Cc1nsc(n1)NCC(C)C 27a_100000210953_100000709739 [0,0,0,0,0,2|1,0,0]=3 2273 B11R1.75 Cc1nsc(n1)NCC(C)O 27a_100000210904_100000709739 [0,0,0,0,0,2|2,0,0]=4 2274 B11R1.75 Cc1nsc(n1)SCC(C)C 62a_100000210624_100000709739 [0,0,0,0,0,2|1,0,0]=3 2275 B11R1.75 Cc1nsc(n1)SCC(C)C 62a_100000709739_100000210760 [0,0,0,0,0,2|1,0,0]=3 2276 B11R1.75 Cc1nsc(n1)SCC(C)O 62a_100000709739_100011218427 [0,0,0,0,0,2|2,0,0]=4 2277 B11R1.75 Cc1nsc(n1)SCC(C)O 62a_100011218427_100000709739 [0,0,0,0,0,2|2,0,0]=4 2278 B11R1.75 Cc1nsc(n1)SC[C@@H](C)O 62a_100000709739_100009817552 [0,0,0,0,0,2|2,0,0]=4 2279 B11R1.75 Cc1nsc(n1)SC[C@@H](C)O 62a_100009817552_100000709739 [0,0,0,0,0,2|2,0,0]=4 2280 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,0,0,0,0,2|1,0,1]=4 2281 B11R1.157 CC(=Cc1ccnc(n1)C)C 271570a_100102525489_100000749937 [0,0,0,0,0,2|1,0,1]=4 2282 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,0,0,0,0,2|1,0,1]=4 2283 B11R1.157 CC(=Cc1nccc(n1)C)C 271570a_100102525489_100011243806 [0,0,0,0,0,2|1,0,1]=4 2284 B11R1.157 CC(C)Nc1cc[nH]c(=O)n1 27a_100138425928_200000134032 [0,0,0,0,0,2|2,0,0]=4 2285 B11R1.157 CC(C)Nc1cccc(n1)F 27a_100138425928_100009815982 [0,0,0,0,0,2|2,0,0]=4 2286 B11R1.157 CC(C)Nc1ccnc(n1)N 27a_100138425928_100000055538 [0,0,0,0,0,2|2,0,0]=4 2287 B11R1.157 CC(C)Nc1cncc(n1)Cl 27a_100138425928_100010892449 [0,0,0,0,0,2|2,0,0]=4 2288 B11R1.157 CC(C)Nc1cncc(n1)F 27a_100138425928_200009863489 [0,0,0,0,0,2|2,0,0]=4 2289 B11R1.157 CC(C)Nc1nccc(n1)N 27a_100138425928_100000757536 [0,0,0,0,0,2|2,0,0]=4 2290 B11R1.157 CC(C)Nc1nccc(n1)O 27a_100138425928_100011649813 [0,0,0,0,0,2|2,0,0]=4 2291 B11R1.157 CC(C)Nc1ncnc(n1)N 27a_100138425928_100000123831 [0,0,0,0,0,2|2,0,0]=4 2292 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [0,0,0,0,0,2|2,0,0]=4 2293 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [0,0,0,0,0,2|2,0,0]=4 2294 B11R1.157 CC(C)Oc1ccnc(n1)O 271570a_203496583355_100011649790 [0,0,0,0,0,2|2,0,0]=4 2295 B11R1.157 CC(C)Sc1cc[nH]c(=O)n1 62a_100000210206_200000134032 [0,0,0,0,0,2|2,0,0]=4 2296 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000210206_100000684672 [0,0,0,0,0,2|2,0,0]=4 2297 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000684672_100000210206 [0,0,0,0,0,2|2,0,0]=4 2298 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000051397_100000210206 [0,0,0,0,0,2|2,0,0]=4 2299 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000210206_100000051397 [0,0,0,0,0,2|2,0,0]=4 2300 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100000210206_100009815982 [0,0,0,0,0,2|2,0,0]=4 2301 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100009815982_100000210206 [0,0,0,0,0,2|2,0,0]=4 2302 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000210206_100000740741 [0,0,0,0,0,2|2,0,0]=4 2303 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000740741_100000210206 [0,0,0,0,0,2|2,0,0]=4 2304 B11R1.157 CC(C)Sc1ccnc(n1)Cl 62a_100000210206_100010154678 [0,0,0,0,0,2|2,0,0]=4 2305 B11R1.157 CC(C)Sc1ccnc(n1)Cl 62a_100010154678_100000210206 [0,0,0,0,0,2|2,0,0]=4 2306 B11R1.157 CC(C)Sc1ccnc(n1)N 62a_100000055538_100000210206 [0,0,0,0,0,2|2,0,0]=4 2307 B11R1.157 CC(C)Sc1ccnc(n1)N 62a_100000210206_100000055538 [0,0,0,0,0,2|2,0,0]=4 2308 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100000210206_100010892449 [0,0,0,0,0,2|2,0,0]=4 2309 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100010892449_100000210206 [0,0,0,0,0,2|2,0,0]=4 2310 B11R1.157 CC(C)Sc1cncc(n1)F 62a_100000210206_200009863489 [0,0,0,0,0,2|2,0,0]=4 2311 B11R1.157 CC(C)Sc1cncc(n1)F 62a_200009863489_100000210206 [0,0,0,0,0,2|2,0,0]=4 2312 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000210206_100000747728 [0,0,0,0,0,2|2,0,0]=4 2313 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000747728_100000210206 [0,0,0,0,0,2|2,0,0]=4 2314 B11R1.157 CC(C)Sc1cncc(n1)O 62a_100000210206_100011269956 [0,0,0,0,0,2|2,0,0]=4 2315 B11R1.157 CC(C)Sc1nccc(n1)N 62a_100000210206_100000757536 [0,0,0,0,0,2|2,0,0]=4 2316 B11R1.157 CC(C)Sc1nccc(n1)N 62a_100000757536_100000210206 [0,0,0,0,0,2|2,0,0]=4 2317 B11R1.157 CC(C)Sc1nccc(n1)O 62a_100000210206_100011649813 [0,0,0,0,0,2|2,0,0]=4 2318 B11R1.157 CC(C)Sc1ncnc(n1)N 62a_100000123831_100000210206 [0,0,0,0,0,2|2,0,0]=4 2319 B11R1.157 CC(C)Sc1ncnc(n1)N 62a_100000210206_100000123831 [0,0,0,0,0,2|2,0,0]=4 2320 B11R1.157 Cc1cc(ccn1)NC(C)C 27a_100138425928_100000758586 [0,0,0,0,0,2|2,0,0]=4 2321 B11R1.157 Cc1cc(ccn1)OC(C)C 34a_100000688365_100000210206 [0,0,0,0,0,2|2,0,0]=4 2322 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000210206_100000758586 [0,0,0,0,0,2|2,0,0]=4 2323 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000758586_100000210206 [0,0,0,0,0,2|2,0,0]=4 2324 B11R1.157 Cc1cc(ncn1)NC(C)C 27a_100138425928_100000744208 [0,0,0,0,0,2|2,0,0]=4 2325 B11R1.157 Cc1cc(ncn1)SC(C)C 62a_100000210206_100000744208 [0,0,0,0,0,2|2,0,0]=4 2326 B11R1.157 Cc1cc(ncn1)SC(C)C 62a_100000744208_100000210206 [0,0,0,0,0,2|2,0,0]=4 2327 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,0,0,0,0,2|2,0,0]=4 2328 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,0,0,0,0,2|2,0,0]=4 2329 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,0,0,0,0,2|2,0,0]=4 2330 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,0,0,0,0,2|2,0,0]=4 2331 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,0,0,0,0,2|2,0,0]=4 2332 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,0,0,0,0,2|2,0,0]=4 2333 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [0,0,0,0,0,2|2,0,0]=4 2334 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [0,0,0,0,0,2|2,0,0]=4 2335 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [0,0,0,0,0,2|2,0,0]=4 2336 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [0,0,0,0,0,2|2,0,0]=4 2337 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [0,0,0,0,0,2|2,0,0]=4 2338 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [0,0,0,0,0,2|2,0,0]=4 2339 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [0,0,0,0,0,2|2,0,0]=4 2340 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [0,0,0,0,0,2|1,0,0]=3 2341 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [0,0,0,0,0,2|1,0,0]=3 2342 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [0,0,0,0,0,2|2,0,0]=4 2343 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [0,0,0,0,0,2|2,0,0]=4 2344 B11R1.157 Cc1ccnc(n1)NC(C)C 27a_100138425928_100000750684 [0,0,0,0,0,2|1,0,0]=3 2345 B11R1.157 Cc1ccnc(n1)SC(C)C 62a_100000210206_100011243806 [0,0,0,0,0,2|1,0,0]=3 2346 B11R1.157 Cc1ccnc(n1)SC(C)C 62a_100011243806_100000210206 [0,0,0,0,0,2|1,0,0]=3 2347 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [0,0,0,0,0,2|2,0,0]=4 2348 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [0,0,0,0,0,2|2,0,0]=4 2349 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000210206_100000760492 [0,0,0,0,0,2|2,0,0]=4 2350 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000760492_100000210206 [0,0,0,0,0,2|2,0,0]=4 2351 B11R1.157 Cc1cncc(n1)CN(C)C 270004a_100102631434_100000100294 [0,0,0,0,0,2|2,0,0]=4 2352 B11R1.157 Cc1cncc(n1)NC(C)C 27a_100138425928_100000754123 [0,0,0,0,0,2|1,0,0]=3 2353 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000210206_100000754123 [0,0,0,0,0,2|1,0,0]=3 2354 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000754123_100000210206 [0,0,0,0,0,2|1,0,0]=3 2355 B11R1.157 Cc1cnnc(c1)NC(C)C 27a_100138425928_100000070100 [0,0,0,0,0,2|2,0,0]=4 2356 B11R1.157 Cc1cnnc(c1)OC(C)C 34a_100000766097_100000210206 [0,0,0,0,0,2|2,0,0]=4 2357 B11R1.157 Cc1cnnc(c1)SC(C)C 62a_100000070100_100000210206 [0,0,0,0,0,2|2,0,0]=4 2358 B11R1.157 Cc1cnnc(c1)SC(C)C 62a_100000210206_100000070100 [0,0,0,0,0,2|2,0,0]=4 2359 B11R1.157 Cc1nccc(n1)CN(C)C 270004a_100102631434_100011361539 [0,0,0,0,0,2|2,0,0]=4 2360 B11R1.157 Cc1nccc(n1)NC(C)C 27a_100138425928_100000749937 [0,0,0,0,0,2|1,0,0]=3 2361 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000210206_100000749937 [0,0,0,0,0,2|1,0,0]=3 2362 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000749937_100000210206 [0,0,0,0,0,2|1,0,0]=3