0 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,0,0,0,0,0|2,1,0]=3 19 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,0,0,0,0,0|2,1,0]=3 20 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,0,0,0,0,0|2,1,0]=3 21 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,0,0,0,0,0|2,1,0]=3 22 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,0,0,0,0,0|3,1,0]=4 34 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,0,0,0,0,0|3,1,0]=4 35 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,0,0,0,0,0|3,1,0]=4 36 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,0,0,0,0,0|3,1,0]=4 37 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,0,0,0,0,0|3,1,0]=4 38 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,0,0,0,0,0|2,0,1]=3 45 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,0,0,0,0,0|2,1,0]=3 57 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,0,0,0,0,0|2,1,0]=3 58 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,0,0,0,0,0|1,0,0]=1 61 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,0,0,0,0,0|1,0,0]=1 62 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,0,0,0,0,0|1,1,0]=2 63 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,0,0,0,0,0|1,1,0]=2 64 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,0,0,0,0,0|2,1,0]=3 65 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,0,0,0,0,0|2,1,0]=3 66 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,0,0,0,0,0|2,1,0]=3 67 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,0,0,0,0,0|2,1,0]=3 68 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,0,0,0,0,0|3,1,0]=4 69 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,0,0,0,0,0|3,1,0]=4 70 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,0,0,0,0,0|2,1,0]=3 71 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,0,0,0,0,0|2,1,0]=3 72 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,0,0,0,0,0|2,0,1]=3 76 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,0,0,0,0,0|2,0,1]=3 77 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,0,0,0,0,0|2,1,1]=4 79 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,0,0,0,0,0|2,0,1]=3 80 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [0,0,0,0,0,0|2,1,1]=4 82 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [0,0,0,0,0,0|2,1,1]=4 83 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_100000144657_200025704644 [0,0,0,0,0,0|2,1,1]=4 84 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000144657 [0,0,0,0,0,0|2,1,1]=4 85 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,0,0,0,0,0|2,0,1]=3 86 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,0,0,0,0,0|2,0,1]=3 87 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,0,0,0,0,0|1,0,1]=2 88 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,0,0,0,0,0|1,0,1]=2 89 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,0,0,0,0,0|1,1,1]=3 90 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,0,0,0,0,0|1,1,1]=3 91 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [0,0,0,0,0,0|2,1,1]=4 92 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [0,0,0,0,0,0|2,1,1]=4 93 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_100012351597_200025704644 [0,0,0,0,0,0|2,1,1]=4 94 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_200025704644_100012351597 [0,0,0,0,0,0|2,1,1]=4 95 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_100011215952_200025704644 [0,0,0,0,0,0|3,1,0]=4 100 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011215952 [0,0,0,0,0,0|3,1,0]=4 101 B11R1.266 CNc1cc(cnn1)C(=O)N 27a_100102657272_100015785749 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.266 CNc1cc(ncn1)C(=O)N 27a_100102657272_100000725265 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,0,0,0,0,0|3,0,1]=4 105 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,0,0,0,0,0|2,0,1]=3 108 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,0,0,0,0,0|2,0,1]=3 109 B11R1.266 CNc1cccc(c1)C(F)F 2230a_100000058342_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.266 CNc1cccc(c1)C(F)F 34a_100000058342_200000210301 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.266 CNc1cccc(c1)C(F)F 7a_100000058342_200000210301 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,0,0,0,0,0|2,0,1]=3 114 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [0,0,0,0,0,0|3,0,1]=4 119 B11R1.266 CNc1cncc(n1)C(=O)N 27a_100102657272_100000764846 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.266 CNc1nccc(n1)C(=O)N 27a_100102657272_100000066158 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,0,0,0,0,0|1,0,0]=1 123 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,0,0,0,0,0|1,0,0]=1 124 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,0,0,0,0,0|1,0,0]=1 125 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,0,0,0,0,0|1,0,0]=1 126 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,0,0,0,0,0|1,0,0]=1 127 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,0,0,0,0,0|1,0,0]=1 128 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,0,0,0,0,0|1,1,0]=2 129 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,0,0,0,0,0|2,0,1]=3 130 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,0,0,0,0,0|2,0,1]=3 131 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,0,0,0,0,0|2,0,1]=3 132 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,0,0,0,0,0|2,0,1]=3 133 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,0,0,0,0,0|1,0,1]=2 134 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,0,0,0,0,0|1,0,1]=2 135 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,0,0,0,0,0|3,0,0]=3 142 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,0,0,0,0,0|1,0,1]=2 143 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,0,0,0,0,0|1,0,1]=2 144 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,0,0,0,0,0|2,0,1]=3 147 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,0,0,0,0,0|2,1,0]=3 148 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,0,0,0,0,0|2,1,0]=3 149 B11R1.266 CSc1cc(ccn1)B(O)O 62a_100000049459_200000210301 [0,0,0,0,0,0|2,1,1]=4 150 B11R1.266 CSc1cc(ccn1)B(O)O 62a_200000210301_100000049459 [0,0,0,0,0,0|2,1,1]=4 151 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,0,0,0,0,0|2,1,0]=3 152 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,0,0,0,0,0|2,1,0]=3 153 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,0,0,0,0,0|2,1,0]=3 154 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,0,0,0,0,0|2,1,0]=3 155 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_100015785749_200000210301 [0,0,0,0,0,0|3,1,0]=4 156 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_200000210301_100015785749 [0,0,0,0,0,0|3,1,0]=4 157 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_100000725265_200000210301 [0,0,0,0,0,0|3,1,0]=4 158 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_200000210301_100000725265 [0,0,0,0,0,0|3,1,0]=4 159 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,0,0,0,0,0|1,1,1]=3 160 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,0,0,0,0,0|1,1,1]=3 161 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,0,0,0,0,0|1,1,0]=2 162 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,0,0,0,0,0|1,1,0]=2 163 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,0,0,0,0,0|1,1,0]=2 164 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,0,0,0,0,0|1,1,0]=2 165 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,0,0,0,0,0|1,1,0]=2 166 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,0,0,0,0,0|1,1,0]=2 167 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,0,0,0,0,0|2,1,1]=4 168 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,0,0,0,0,0|2,1,1]=4 169 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [0,0,0,0,0,0|2,1,1]=4 170 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [0,0,0,0,0,0|2,1,1]=4 171 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,0,0,0,0,0|1,1,1]=3 172 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,0,0,0,0,0|1,1,1]=3 173 B11R1.266 CSc1cccc(c1)C(F)F 62a_100009892619_200000210301 [0,0,0,0,0,0|2,1,1]=4 174 B11R1.266 CSc1cccc(c1)C(F)F 62a_200000210301_100009892619 [0,0,0,0,0,0|2,1,1]=4 175 B11R1.266 CSc1cccc(c1)N(C)C 2230a_100020672454_200000210301 [0,0,0,0,0,0|3,1,0]=4 176 B11R1.266 CSc1cccc(c1)N(C)C 269982a_100020672454_200000210301 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.266 CSc1cccc(c1)N(C)C 34a_100020672454_200000210301 [0,0,0,0,0,0|3,1,0]=4 178 B11R1.266 CSc1cccc(c1)N(C)C 62a_100011215952_200000210301 [0,0,0,0,0,0|3,1,0]=4 179 B11R1.266 CSc1cccc(c1)N(C)C 62a_200000210301_100011215952 [0,0,0,0,0,0|3,1,0]=4 180 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 2230a_100020672454_200025704644 [0,0,0,0,0,0|3,1,0]=4 181 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 269982a_100020672454_200025704644 [0,0,0,0,0,0|3,1,0]=4 182 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 34a_100020672454_200025704644 [0,0,0,0,0,0|3,1,0]=4 183 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,0,0,0,0,0|2,1,0]=3 184 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,0,0,0,0,0|2,1,0]=3 185 B11R1.266 CSc1cccc(n1)B(O)O 62a_100000117343_200000210301 [0,0,0,0,0,0|2,1,1]=4 186 B11R1.266 CSc1cccc(n1)B(O)O 62a_200000210301_100000117343 [0,0,0,0,0,0|2,1,1]=4 187 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,0,0,0,0,0|2,1,0]=3 188 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,0,0,0,0,0|2,1,0]=3 189 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,0,0,0,0,0|2,1,0]=3 190 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,0,0,0,0,0|2,1,0]=3 191 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [0,0,0,0,0,0|2,1,1]=4 192 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [0,0,0,0,0,0|2,1,1]=4 193 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,0,0,0,0,0|2,1,0]=3 194 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,0,0,0,0,0|2,1,0]=3 195 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,0,0,0,0,0|2,1,0]=3 196 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,0,0,0,0,0|2,1,0]=3 197 B11R1.266 CSc1ccnc(c1)C(C)O 62a_100000144657_200000210301 [0,0,0,0,0,0|2,1,1]=4 198 B11R1.266 CSc1ccnc(c1)C(C)O 62a_200000210301_100000144657 [0,0,0,0,0,0|2,1,1]=4 199 B11R1.266 CSc1cncc(c1)B(O)O 62a_200000210301_200009814628 [0,0,0,0,0,0|2,1,1]=4 200 B11R1.266 CSc1cncc(c1)B(O)O 62a_200009814628_200000210301 [0,0,0,0,0,0|2,1,1]=4 201 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,0,0,0,0,0|2,1,0]=3 202 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,0,0,0,0,0|2,1,0]=3 203 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,0,0,0,0,0|2,1,0]=3 204 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,0,0,0,0,0|2,1,0]=3 205 B11R1.266 CSc1cncc(c1)C(C)O 62a_100012351597_200000210301 [0,0,0,0,0,0|2,1,1]=4 206 B11R1.266 CSc1cncc(c1)C(C)O 62a_200000210301_100012351597 [0,0,0,0,0,0|2,1,1]=4 207 B11R1.266 CSc1cncc(n1)C(=O)N 62a_100000764846_200000210301 [0,0,0,0,0,0|3,1,0]=4 208 B11R1.266 CSc1cncc(n1)C(=O)N 62a_200000210301_100000764846 [0,0,0,0,0,0|3,1,0]=4 209 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,0,0,0,0,0|3,1,0]=4 210 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,0,0,0,0,0|3,1,0]=4 211 B11R1.266 CSc1nccc(n1)C(=O)N 62a_100000066158_200000210301 [0,0,0,0,0,0|3,1,0]=4 212 B11R1.266 CSc1nccc(n1)C(=O)N 62a_200000210301_100000066158 [0,0,0,0,0,0|3,1,0]=4 213 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,0,0|3,0,0]=3 215 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,0,0,0,0,0|2,0,0]=2 216 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 2230a_100000058342_200025704644 [0,0,0,0,0,0|3,0,1]=4 217 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 34a_100000058342_200025704644 [0,0,0,0,0,0|3,0,1]=4 218 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 7a_100000058342_200025704644 [0,0,0,0,0,0|3,0,1]=4 219 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,0,0,0,0,0|2,0,1]=3 220 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,0,0,0,0,0|1,0,0]=1 221 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,0,0,0,0,0|1,0,0]=1 222 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,0,0,0,0,0|1,1,0]=2 223 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,0,0,0,0,0|1,0,1]=2 224 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,0,0,0,0,0|1,0,1]=2 225 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,0,0,0,0,0|2,0,0]=2 226 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,0,0,0,0,0|2,0,1]=3 227 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,0,0,0,0,0|2,0,1]=3 228 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_100000049459_200025704644 [0,0,0,0,0,0|2,1,1]=4 229 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_200025704644_100000049459 [0,0,0,0,0,0|2,1,1]=4 230 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,0,0,0,0,0|2,1,0]=3 231 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,0,0,0,0,0|2,1,0]=3 232 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_100015785749_200025704644 [0,0,0,0,0,0|3,1,0]=4 233 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_200025704644_100015785749 [0,0,0,0,0,0|3,1,0]=4 234 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_100000725265_200025704644 [0,0,0,0,0,0|3,1,0]=4 235 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_200025704644_100000725265 [0,0,0,0,0,0|3,1,0]=4 236 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,0,0,0,0,0|1,1,1]=3 237 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,0,0,0,0,0|1,1,1]=3 238 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,0,0,0,0,0|1,1,0]=2 239 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,0,0,0,0,0|1,1,0]=2 240 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_100009892619_200025704644 [0,0,0,0,0,0|2,1,1]=4 241 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_200025704644_100009892619 [0,0,0,0,0,0|2,1,1]=4 242 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_100000117343_200025704644 [0,0,0,0,0,0|2,1,1]=4 243 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_200025704644_100000117343 [0,0,0,0,0,0|2,1,1]=4 244 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,0,0,0,0,0|2,1,0]=3 245 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,0,0,0,0,0|2,1,0]=3 246 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,0,0,0,0,0|2,1,0]=3 247 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,0,0,0,0,0|2,1,0]=3 248 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200009814628_200025704644 [0,0,0,0,0,0|2,1,1]=4 249 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200025704644_200009814628 [0,0,0,0,0,0|2,1,1]=4 250 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,0,0,0,0,0|2,1,0]=3 251 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,0,0,0,0,0|2,1,0]=3 252 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_100000764846_200025704644 [0,0,0,0,0,0|3,1,0]=4 253 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_200025704644_100000764846 [0,0,0,0,0,0|3,1,0]=4 254 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_100000066158_200025704644 [0,0,0,0,0,0|3,1,0]=4 255 B11R1.266 [13CH3]Sc1nccc(n1)C(=O)N 62a_200025704644_100000066158 [0,0,0,0,0,0|3,1,0]=4 256 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,0,0,0,0,0|2,1,0]=4 267 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|1,0,0]=2 279 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,0,0,0,0,0|2,0,1]=4 287 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,0,0|1,0,1]=3 288 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,0,0,0,0,0|2,0,1]=4 289 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,0,0,0,0,0|2,0,1]=4 290 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|1,0,0]=2 299 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|1,0,0]=2 308 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,0,0|1,0,1]=3 315 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [1,0,0,0,0,0|2,0,1]=4 316 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [1,0,0,0,0,0|2,0,1]=4 317 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [1,0,0,0,0,0|2,0,1]=4 318 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|2,0,0]=3 321 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|1,0,0]=2 324 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 329 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [1,0,0,0,0,0|1,0,1]=3 330 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 331 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [1,0,0,0,0,0|1,0,1]=3 332 B10R1.172 C=Cc1cc(ccn1)C=O 271570a_100011290941_100011290808 [1,0,0,0,0,0|2,0,1]=4 333 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [1,0,0,0,0,0|2,1,0]=4 337 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [1,0,0,0,0,0|2,1,0]=4 338 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [1,0,0,0,0,0|2,1,0]=4 339 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [1,0,0,0,0,0|2,1,0]=4 340 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [1,0,0,0,0,0|2,1,0]=4 341 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,0,0,0,0,0|1,0,1]=3 345 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,0,0,0,0,0|1,0,2]=4 349 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,0,0,0,0,0|2,0,0]=3 350 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [1,0,0,0,0,0|3,0,0]=4 352 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,0,0,0,0,0|1,0,0]=2 354 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,0,0,0,0,0|1,0,0]=2 355 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,0,0,0,0,0|1,0,0]=2 356 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,0,0,0,0,0|1,0,0]=2 357 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,0,0,0,0,0|1,0,0]=2 358 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,0,0,0,0,0|1,1,0]=3 359 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,0,0,0,0,0|1,1,0]=3 360 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,0,0,0,0,0|1,1,0]=3 361 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,0,0,0,0,0|1,1,0]=3 362 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,0,0,0,0,0|1,1,0]=3 363 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [1,0,0,0,0,0|2,0,1]=4 364 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [1,0,0,0,0,0|2,1,0]=4 368 B10R1.172 C=Cc1ccnc(c1)C=O 271570a_100011290941_100011998288 [1,0,0,0,0,0|2,0,1]=4 369 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.172 C=Cc1cncc(c1)C=O 271570a_100011290941_100000687066 [1,0,0,0,0,0|2,0,1]=4 374 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [1,0,0,0,0,0|2,0,0]=3 377 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [1,0,0,0,0,0|2,1,0]=4 378 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [1,0,0,0,0,0|2,1,0]=4 379 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [1,0,0,0,0,0|2,1,0]=4 380 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [1,0,0,0,0,0|2,1,0]=4 381 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [1,0,0,0,0,0|2,1,0]=4 382 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,0,0,0,0,0|2,0,1]=4 387 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 390 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [1,0,0,0,0,0|1,0,1]=3 395 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [1,0,0,0,0,0|1,0,1]=3 396 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [1,0,0,0,0,0|1,0,1]=3 397 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [1,0,0,0,0,0|1,0,1]=3 398 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [1,0,0,0,0,0|1,1,1]=4 399 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [1,0,0,0,0,0|1,1,1]=4 400 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [1,0,0,0,0,0|1,1,1]=4 401 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [1,0,0,0,0,0|1,1,1]=4 402 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 409 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [1,0,0,0,0,0|2,0,1]=4 411 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [1,0,0,0,0,0|1,0,1]=3 412 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [1,0,0,0,0,0|1,0,1]=3 413 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [1,0,0,0,0,0|2,0,0]=3 414 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [1,0,0,0,0,0|2,0,0]=3 416 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 417 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 419 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [1,0,0,0,0,0|2,1,0]=4 420 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [1,0,0,0,0,0|2,1,0]=4 421 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [1,0,0,0,0,0|2,1,0]=4 422 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [1,0,0,0,0,0|2,1,0]=4 423 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [1,0,0,0,0,0|2,1,0]=4 424 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [1,0,0,0,0,0|2,0,1]=4 425 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [1,0,0,0,0,0|2,0,1]=4 426 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [1,0,0,0,0,0|3,0,0]=4 429 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 432 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [1,0,0,0,0,0|1,0,1]=3 433 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 434 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [1,0,0,0,0,0|1,0,1]=3 435 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 436 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [1,0,0,0,0,0|1,0,1]=3 437 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [1,0,0,0,0,0|1,0,1]=3 438 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [1,0,0,0,0,0|0,0,1]=2 439 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [1,0,0,0,0,0|0,0,1]=2 440 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [1,0,0,0,0,0|2,0,0]=3 441 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 442 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 444 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [1,0,0,0,0,0|2,0,0]=3 445 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 446 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [1,0,0,0,0,0|2,0,0]=3 447 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [1,0,0,0,0,0|2,0,0]=3 448 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [1,0,0,0,0,0|2,0,0]=3 449 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [1,0,0,0,0,0|3,0,0]=4 450 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.172 COc1ccnc(c1)C#N 34a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 454 B10R1.172 COc1ccnc(c1)C#N 7a_100011777083_200000210301 [1,0,0,0,0,0|2,0,1]=4 455 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [1,0,0,0,0,0|3,0,0]=4 458 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [1,0,0,0,0,0|3,0,0]=4 460 B10R1.172 COc1cncc(c1)C#N 34a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 461 B10R1.172 COc1cncc(c1)C#N 7a_100012002025_200000210301 [1,0,0,0,0,0|2,0,1]=4 462 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 463 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 465 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [1,0,0,0,0,0|3,0,0]=4 467 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [1,0,0,0,0,0|3,0,0]=4 469 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [1,0,0,0,0,0|3,0,0]=4 470 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,0,0,0,0,0|1,1,0]=3 471 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,0,0,0,0,0|1,1,0]=3 472 B10R1.172 CSc1cc(ccn1)CO 62a_100009814636_200000210301 [1,0,0,0,0,0|1,1,1]=4 473 B10R1.172 CSc1cc(ccn1)CO 62a_200000210301_100009814636 [1,0,0,0,0,0|1,1,1]=4 474 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [1,0,0,0,0,0|1,1,1]=4 475 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,0,0,0,0,0|0,1,0]=2 476 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,0,0,0,0,0|0,1,0]=2 477 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [1,0,0,0,0,0|1,1,1]=4 478 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [1,0,0,0,0,0|1,1,1]=4 479 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [1,0,0,0,0,0|1,1,1]=4 480 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [1,0,0,0,0,0|1,1,1]=4 481 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [1,0,0,0,0,0|0,1,1]=3 482 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [1,0,0,0,0,0|0,1,1]=3 483 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [1,0,0,0,0,0|2,1,0]=4 484 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [1,0,0,0,0,0|2,1,0]=4 485 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 486 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [1,0,0,0,0,0|2,1,0]=4 487 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [1,0,0,0,0,0|2,0,0]=3 489 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [1,0,0,0,0,0|2,1,0]=4 490 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [1,0,0,0,0,0|2,1,0]=4 491 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [1,0,0,0,0,0|2,1,0]=4 492 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [1,0,0,0,0,0|2,1,0]=4 493 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,0,0,0,0,0|1,1,0]=3 494 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,0,0,0,0,0|1,1,0]=3 495 B10R1.172 CSc1cccc(n1)CO 62a_100000694195_200000210301 [1,0,0,0,0,0|1,1,1]=4 496 B10R1.172 CSc1cccc(n1)CO 62a_200000210301_100000694195 [1,0,0,0,0,0|1,1,1]=4 497 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,0,0,0,0,0|1,1,0]=3 498 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,0,0,0,0,0|1,1,0]=3 499 B10R1.172 CSc1ccnc(c1)CO 62a_100000748867_200000210301 [1,0,0,0,0,0|1,1,1]=4 500 B10R1.172 CSc1ccnc(c1)CO 62a_200000210301_100000748867 [1,0,0,0,0,0|1,1,1]=4 501 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,0,0,0,0,0|1,1,0]=3 502 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,0,0,0,0,0|1,1,0]=3 503 B10R1.172 CSc1cncc(c1)CO 62a_100011259137_200000210301 [1,0,0,0,0,0|1,1,1]=4 504 B10R1.172 CSc1cncc(c1)CO 62a_200000210301_100011259137 [1,0,0,0,0,0|1,1,1]=4 505 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 506 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [1,0,0,0,0,0|2,0,1]=4 507 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 508 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 509 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [1,0,0,0,0,0|2,0,1]=4 510 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [1,0,0,0,0,0|1,0,1]=3 511 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [1,0,0,0,0,0|1,0,1]=3 512 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [1,0,0,0,0,0|2,0,1]=4 513 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 514 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [1,0,0,0,0,0|1,0,1]=3 515 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 516 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [1,0,0,0,0,0|1,0,1]=3 517 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 518 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [1,0,0,0,0,0|1,0,1]=3 519 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [1,0,0,0,0,0|1,0,1]=3 520 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [1,0,0,0,0,0|0,0,1]=2 521 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [1,0,0,0,0,0|0,0,1]=2 522 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 34a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 7a_100011777083_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B10R1.172 [13CH3]Oc1cncc(c1)C#N 34a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B10R1.172 [13CH3]Oc1cncc(c1)C#N 7a_100012002025_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,0,0,0,0,0|1,1,0]=3 527 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,0,0,0,0,0|1,1,0]=3 528 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_100009814636_200025704644 [1,0,0,0,0,0|1,1,1]=4 529 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_200025704644_100009814636 [1,0,0,0,0,0|1,1,1]=4 530 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [1,0,0,0,0,0|1,1,1]=4 531 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,0,0,0,0,0|0,1,0]=2 532 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,0,0,0,0,0|0,1,0]=2 533 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [1,0,0,0,0,0|1,1,1]=4 534 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [1,0,0,0,0,0|1,1,1]=4 535 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [1,0,0,0,0,0|1,1,1]=4 536 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [1,0,0,0,0,0|1,1,1]=4 537 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [1,0,0,0,0,0|0,1,1]=3 538 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [1,0,0,0,0,0|0,1,1]=3 539 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [1,0,0,0,0,0|2,1,0]=4 540 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [1,0,0,0,0,0|2,1,0]=4 541 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,0,0,0,0,0|1,1,0]=3 542 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,0,0,0,0,0|1,1,0]=3 543 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_100000694195_200025704644 [1,0,0,0,0,0|1,1,1]=4 544 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_200025704644_100000694195 [1,0,0,0,0,0|1,1,1]=4 545 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,0,0,0,0,0|1,1,0]=3 546 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,0,0,0,0,0|1,1,0]=3 547 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_100000748867_200025704644 [1,0,0,0,0,0|1,1,1]=4 548 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_200025704644_100000748867 [1,0,0,0,0,0|1,1,1]=4 549 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,0,0,0,0,0|1,1,0]=3 550 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,0,0,0,0,0|1,1,0]=3 551 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_100011259137_200025704644 [1,0,0,0,0,0|1,1,1]=4 552 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_200025704644_100011259137 [1,0,0,0,0,0|1,1,1]=4 553 B12R1.11 C=C(C)c1cc(cc(c1)CC)N 271570a_100000694244_100010074814 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.11 C=C(C)c1cc(cc(c1)NC)F 271570a_100000694244_106741647397 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.11 C=C(C)c1cc(cc(c1)OC)Br 271570a_100000694244_100010141301 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.11 C=C(C)c1cc(cc(c1)OC)Cl 271570a_100000694244_100010147680 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.11 C=C(C)c1cc(cc(c1)OC)F 271570a_100000694244_100011934182 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.11 C=C(C)c1cc(cc(c1)OC)N 271570a_100000694244_100000750983 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.11 C=C(C)c1cc(cc(c1)SC)C 271570a_100000694244_200010709730 [0,1,0,0,0,0|2,1,0]=4 562 B12R1.11 C=C(C)c1cc(cc(c1)SC)F 271570a_100000694244_200010245467 [0,1,0,0,0,0|2,1,0]=4 563 B12R1.11 C=C(C)c1cc(cc(n1)C)OC 271570a_100000694244_200009849800 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.11 C=C(C)c1cc(cc(n1)N)OC 271570a_100000694244_100010257270 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.11 C=C(C)c1cc(cc(n1)OC)C 271570a_100000694244_100009856763 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.11 C=C(C)c1cc(cc(n1)OC)N 271570a_100000694244_100012187057 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.11 C=C(C)c1cc(nc(c1)OC)C 271570a_100000694244_100010067692 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.11 C=C(C)c1cc(nc(c1)OC)N 271570a_100000694244_100010136845 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)Br 271570a_100011290941_100010005435 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)C 271570a_100011290941_100000694479 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)F 271570a_100011290941_100012361402 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)C 271570a_100011290941_200012348365 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)F 271570a_100011290941_200011280034 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)O 271570a_100011290941_100010084318 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.11 CC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.11 CC(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.11 CC(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,1,0,0,0,0|1,0,0]=2 582 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,1,0,0,0,0|1,0,0]=2 583 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,1,0,0,0,0|1,1,0]=3 584 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,1,0,0,0,0|1,1,0]=3 585 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,1,0,0,0,0|1,1,0]=3 586 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,1,0,0,0,0|1,1,0]=3 587 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,1,0,0,0,0|1,1,0]=3 588 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,1,0,0,0,0|1,1,0]=3 589 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_100009884196_200025704644 [0,1,0,0,0,0|2,1,0]=4 590 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100009884196 [0,1,0,0,0,0|2,1,0]=4 591 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 34a_200011998915_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 7a_200011998915_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200000210301 [0,1,0,0,0,0|2,0,1]=4 594 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200000210301 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 2230a_100011707342_200000210301 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 34a_100011707342_200000210301 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 7a_100011707342_200000210301 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200000210301 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200000210301 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200000210301 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200000210301 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [0,1,0,0,0,0|1,0,1]=3 603 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,1,0,0,0,0|1,0,0]=2 604 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,1,0,0,0,0|1,0,0]=2 605 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,1,0,0,0,0|1,0,0]=2 606 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,1,0,0,0,0|1,0,0]=2 607 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,1,0,0,0,0|1,0,0]=2 610 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,1,0,0,0,0|1,0,0]=2 611 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,1,0,0,0,0|1,0,0]=2 612 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [0,1,0,0,0,0|1,0,0]=2 613 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [0,1,0,0,0,0|1,0,0]=2 614 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [0,1,0,0,0,0|1,0,0]=2 615 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,1,0,0,0,0|1,0,0]=2 616 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,1,0,0,0,0|1,0,0]=2 617 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,1,0,0,0,0|1,0,0]=2 618 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,1,0,0,0,0|1,0,0]=2 619 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,1,0,0,0,0|1,0,0]=2 620 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,1,0,0,0,0|1,0,0]=2 621 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [0,1,0,0,0,0|1,0,1]=3 622 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [0,1,0,0,0,0|1,0,1]=3 623 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [0,1,0,0,0,0|1,0,1]=3 624 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [0,1,0,0,0,0|1,0,1]=3 625 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [0,1,0,0,0,0|1,0,1]=3 626 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [0,1,0,0,0,0|1,0,1]=3 627 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [0,1,0,0,0,0|1,0,1]=3 628 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [0,1,0,0,0,0|1,0,1]=3 629 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_100009814731_200000210301 [0,1,0,0,0,0|1,1,1]=4 630 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_200000210301_100009814731 [0,1,0,0,0,0|1,1,1]=4 631 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_100009814746_200000210301 [0,1,0,0,0,0|1,1,1]=4 632 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_200000210301_100009814746 [0,1,0,0,0,0|1,1,1]=4 633 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_100010062373_200000210301 [0,1,0,0,0,0|1,1,1]=4 634 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_200000210301_100010062373 [0,1,0,0,0,0|1,1,1]=4 635 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,1,0,0,0,0|1,1,0]=3 636 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,1,0,0,0,0|1,1,0]=3 637 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,1,0,0,0,0|1,1,0]=3 638 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,1,0,0,0,0|1,1,0]=3 639 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,1,0,0,0,0|1,1,0]=3 640 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,1,0,0,0,0|1,1,0]=3 641 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [0,1,0,0,0,0|1,1,0]=3 642 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [0,1,0,0,0,0|1,1,0]=3 643 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200000210301_200011280034 [0,1,0,0,0,0|1,1,0]=3 644 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200011280034_200000210301 [0,1,0,0,0,0|1,1,0]=3 645 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [0,1,0,0,0,0|1,1,0]=3 646 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [0,1,0,0,0,0|1,1,0]=3 647 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_100009884196_200000210301 [0,1,0,0,0,0|2,1,0]=4 648 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_200000210301_100009884196 [0,1,0,0,0,0|2,1,0]=4 649 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_100009814731_200025704644 [0,1,0,0,0,0|1,1,1]=4 650 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_200025704644_100009814731 [0,1,0,0,0,0|1,1,1]=4 651 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [0,1,0,0,0,0|1,1,0]=3 652 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [0,1,0,0,0,0|1,1,0]=3 653 B12R1.11 Cc1cc(cc(c1)C(=O)[13CH3])C#N 1458a_100012001805_200025704644 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 2230a_100011707342_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011707342_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 7a_100011707342_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [0,1,0,0,0,0|1,0,1]=3 658 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [0,1,0,0,0,0|1,0,1]=3 659 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Br 1458a_100011935128_200025704644 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)Cl 1458a_100011997934_200025704644 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)C#N)F 1458a_100011356446_200025704644 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 34a_200011998915_200025704644 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 7a_200011998915_200025704644 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200025704644 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200025704644 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200025704644 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200025704644 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200025704644 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200025704644 [0,1,0,0,0,0|2,0,1]=4 672 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [0,1,0,0,0,0|1,0,0]=2 673 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [0,1,0,0,0,0|1,0,0]=2 674 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [0,1,0,0,0,0|1,0,1]=3 675 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [0,1,0,0,0,0|1,0,1]=3 676 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [0,1,0,0,0,0|1,0,1]=3 677 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [0,1,0,0,0,0|1,0,1]=3 678 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [0,1,0,0,0,0|1,0,1]=3 679 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [0,1,0,0,0,0|1,0,1]=3 680 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_100009814746_200025704644 [0,1,0,0,0,0|1,1,1]=4 681 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_200025704644_100009814746 [0,1,0,0,0,0|1,1,1]=4 682 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_100010062373_200025704644 [0,1,0,0,0,0|1,1,1]=4 683 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_200025704644_100010062373 [0,1,0,0,0,0|1,1,1]=4 684 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200011280034_200025704644 [0,1,0,0,0,0|1,1,0]=3 685 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200025704644_200011280034 [0,1,0,0,0,0|1,1,0]=3 686 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [0,1,0,0,0,0|1,1,0]=3 687 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [0,1,0,0,0,0|1,1,0]=3 688 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,1,0,0,0,0|2,0,1]=4 689 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,1,0,0,0,0|2,0,1]=4 690 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,0,0,0,0|2,0,0]=3 703 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,1,0,0,0,0|2,1,0]=4 708 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,1,0,0,0,0|2,0,1]=4 714 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,1,0,0,0,0|2,0,1]=4 715 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,1,0,0,0,0|2,0,1]=4 718 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|1,0,0]=2 728 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|1,0,0]=2 729 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|1,0,0]=2 730 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|1,0,0]=2 731 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,0,0,0,0|1,1,0]=3 732 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,0,0,0,0|1,1,0]=3 733 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,0,0,0,0|1,1,0]=3 734 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,0,0,0,0|1,1,0]=3 735 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,0,0,0,0|1,1,0]=3 736 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,0,0,0,0|1,1,0]=3 737 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,0,0,0,0|1,1,0]=3 738 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|1,1,0]=3 739 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200010135287_200025704644 [0,1,0,0,0,0|2,1,0]=4 740 B12R1.56 CC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_200010135287 [0,1,0,0,0,0|2,1,0]=4 741 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_100011191524_200025704644 [0,1,0,0,0,0|1,1,1]=4 742 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011191524 [0,1,0,0,0,0|1,1,1]=4 743 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,1,0,0,0,0|2,0,1]=4 753 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,1,0,0,0,0|2,0,0]=3 754 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.56 CNc1cc(cnc1F)C(=O)C 27a_100102657272_200010135287 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|1,0,0]=2 760 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|1,0,0]=2 761 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|1,0,0]=2 762 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|1,0,0]=2 763 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|1,0,1]=3 764 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|1,0,1]=3 765 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|1,0,0]=2 766 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|1,0,0]=2 767 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|1,0,0]=2 768 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|1,0,0]=2 769 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|1,0,1]=3 772 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|1,0,1]=3 773 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|1,0,0]=2 774 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|1,0,0]=2 775 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|1,0,1]=3 776 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|1,0,1]=3 777 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|1,0,0]=2 780 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|1,0,0]=2 781 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|1,0,1]=3 790 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|1,0,1]=3 791 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|1,0,0]=2 792 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|1,0,0]=2 793 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|1,0,1]=3 794 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|1,0,1]=3 795 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|1,0,0]=2 796 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|1,0,1]=3 798 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|1,0,1]=3 799 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|1,0,1]=3 800 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|1,0,0]=2 801 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|1,0,0]=2 802 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|1,0,0]=2 803 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|1,0,0]=2 804 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200000210301 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.56 COc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200000210301 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200000210301 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.56 COc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200000210301 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,0,0,0,0|1,1,0]=3 811 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,0,0,0,0|1,1,0]=3 812 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200000210301_200010223333 [0,1,0,0,0,0|1,1,1]=4 813 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200010223333_200000210301 [0,1,0,0,0,0|1,1,1]=4 814 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,0,0,0,0|1,1,0]=3 815 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,0,0,0,0|1,1,0]=3 816 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,1,0,0,0,0|1,1,0]=3 817 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,1,0,0,0,0|1,1,0]=3 818 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_100010175509_200000210301 [0,1,0,0,0,0|1,1,1]=4 819 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_200000210301_100010175509 [0,1,0,0,0,0|1,1,1]=4 820 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,0,0,0,0|1,1,0]=3 821 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,0,0,0,0|1,1,0]=3 822 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,1,0,0,0,0|1,1,0]=3 823 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,1,0,0,0,0|1,1,0]=3 824 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_100011191524_200000210301 [0,1,0,0,0,0|1,1,1]=4 825 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_200000210301_100011191524 [0,1,0,0,0,0|1,1,1]=4 826 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,0,0,0,0|1,1,0]=3 827 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|1,1,0]=3 828 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200000210301_200010135287 [0,1,0,0,0,0|2,1,0]=4 829 B12R1.56 CSc1cc(cnc1F)C(=O)C 62a_200010135287_200000210301 [0,1,0,0,0,0|2,1,0]=4 830 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,1,0,0,0,0|2,0,0]=3 831 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|1,0,1]=3 837 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|1,0,1]=3 838 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200010223333_200025704644 [0,1,0,0,0,0|1,1,1]=4 839 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200025704644_200010223333 [0,1,0,0,0,0|1,1,1]=4 840 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,1,0,0,0,0|1,1,0]=3 841 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,1,0,0,0,0|1,1,0]=3 842 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,1,0,0,0,0|2,0,1]=4 850 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,1,0,0,0,0|2,0,0]=3 851 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,1]=4 853 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|1,0,0]=2 854 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|1,0,0]=2 855 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|1,0,1]=3 856 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|1,0,1]=3 857 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|1,0,1]=3 858 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|1,0,1]=3 859 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|1,0,1]=3 860 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|1,0,1]=3 861 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|1,0,1]=3 862 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|1,0,1]=3 863 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|1,0,0]=2 864 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|1,0,0]=2 865 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|1,0,1]=3 866 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|1,0,1]=3 867 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_200025704644 [0,1,0,0,0,0|2,0,1]=4 868 B12R1.56 [13CH3]Oc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_200025704644 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_200025704644 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.56 [13CH3]Oc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_200025704644 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_100010175509_200025704644 [0,1,0,0,0,0|1,1,1]=4 872 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_200025704644_100010175509 [0,1,0,0,0,0|1,1,1]=4 873 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,1,0,0,0,0|1,1,0]=3 874 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,1,0,0,0,0|1,1,0]=3 875 B12R1.258 C=C(C)c1cc(ccn1)C(=O)C 271570a_100000694244_100000685609 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.258 C=C(C)c1cc(ccn1)C(=O)N 271570a_100000694244_100000229836 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.258 C=C(C)c1cccc(c1)B(O)O 271570a_100000694244_100000687717 [0,1,0,0,0,0|2,0,1]=4 878 B12R1.258 C=C(C)c1cccc(c1)C(=C)C 271570a_100000694244_100012123953 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,1,0,0,0,0|2,0,1]=4 884 B12R1.258 C=C(C)c1cccc(c1)N(C)C 271570a_100000694244_100011215952 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.258 C=C(C)c1cccc(c1)S(=O)C 271570a_100000694244_100009816267 [0,1,0,0,0,0|2,1,0]=4 886 B12R1.258 C=C(C)c1cccc(n1)C(=O)C 271570a_100000694244_100009816502 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.258 C=C(C)c1cccc(n1)C(=O)N 271570a_100000694244_100011834053 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.258 C=C(C)c1ccnc(c1)C(=O)C 271570a_100000694244_100000709912 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.258 C=C(C)c1ccnc(c1)C(=O)N 271570a_100000694244_100000229564 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.258 C=C(C)c1cncc(c1)C(=O)C 271570a_100000694244_100011216243 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.258 C=C(C)c1cncc(c1)C(=O)N 271570a_100000694244_100000162242 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,1,0,0,0,0|2,0,0]=3 895 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200000210301 [0,1,0,0,0,0|2,0,1]=4 898 B12R1.258 CC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000085735 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200000210301 [0,1,0,0,0,0|2,0,1]=4 903 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200000210301 [0,1,0,0,0,0|2,0,1]=4 904 B12R1.258 CN(C)c1cccc(n1)C(=O)N 27a_100102631434_100011834053 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.258 CN(C)c1ccnc(c1)C(=O)N 27a_100102631434_100000229564 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200025704644 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200025704644 [0,1,0,0,0,0|2,0,1]=4 908 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.258 [13CH3]C(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200025704644 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.279 C=C(C)c1cc(ccn1)OCC 271570a_100000694244_100011922638 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.279 C=C(C)c1cccc(c1)C#CC 271570a_100000694244_200009843338 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.279 C=C(C)c1cccc(c1)CCN 271570a_100000694244_100011207229 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.279 C=C(C)c1cccc(c1)CNC 271570a_100000694244_100000187585 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [0,1,0,0,0,0|2,0,0]=3 919 B12R1.279 C=C(C)c1cccc(c1)NCC 271570a_100000694244_100000738899 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,1,0,0,0,0|2,0,0]=3 921 B12R1.279 C=C(C)c1cccc(c1)SCC 271570a_100000694244_100000703699 [0,1,0,0,0,0|2,1,0]=4 922 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100000210202_100012123953 [0,1,0,0,0,0|2,1,0]=4 923 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100012123953_100000210202 [0,1,0,0,0,0|2,1,0]=4 924 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100012123953_100015361967 [0,1,0,0,0,0|2,1,0]=4 925 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100015361967_100012123953 [0,1,0,0,0,0|2,1,0]=4 926 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.279 C=C(C)c1ccnc(c1)OCC 271570a_100000694244_100009995528 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.279 C=C(C)c1cncc(c1)OCC 271570a_100000694244_100012029586 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.279 C=C=Cc1cccc(c1)C(=O)C 271570a_100015277604_100000210093 [0,1,0,0,0,0|2,0,1]=4 930 B12R1.279 C=C=Cc1cccc(c1)C(=O)N 271570a_100015277604_100000162208 [0,1,0,0,0,0|2,0,1]=4 931 B12R1.279 CC(=O)c1cc(ccn1)SCF 62a_100000709912_100015361967 [0,1,0,0,0,0|2,1,0]=4 932 B12R1.279 CC(=O)c1cc(ccn1)SCF 62a_100015361967_100000709912 [0,1,0,0,0,0|2,1,0]=4 933 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [0,1,0,0,0,0|2,0,1]=4 934 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,1,0,0,0,0|1,1,0]=3 936 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,1,0,0,0,0|1,1,0]=3 937 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,1,0,0,0,0|1,0,0]=2 938 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,1,0,0,0,0|1,0,0]=2 939 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,1,0,0,0,0|1,1,0]=3 940 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,1,0,0,0,0|1,1,0]=3 941 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100009816502_100015361967 [0,1,0,0,0,0|2,1,0]=4 942 B12R1.279 CC(=O)c1cccc(n1)SCF 62a_100015361967_100009816502 [0,1,0,0,0,0|2,1,0]=4 943 B12R1.279 CC(=O)c1ccnc(c1)SCF 62a_100000685609_100015361967 [0,1,0,0,0,0|2,1,0]=4 944 B12R1.279 CC(=O)c1ccnc(c1)SCF 62a_100015361967_100000685609 [0,1,0,0,0,0|2,1,0]=4 945 B12R1.279 CC(=O)c1cncc(c1)SCF 62a_100011216243_100015361967 [0,1,0,0,0,0|2,1,0]=4 946 B12R1.279 CC(=O)c1cncc(c1)SCF 62a_100015361967_100011216243 [0,1,0,0,0,0|2,1,0]=4 947 B12R1.279 CC(C)c1cccc(c1)OCF 34a_100000211816_100015361967 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.279 CC(C)c1cccc(c1)OCF 7a_100000211816_100015361967 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.279 CC(N)c1cccc(c1)OCF 34a_100000740644_100015361967 [0,1,0,0,0,0|2,0,1]=4 950 B12R1.279 CC(N)c1cccc(c1)OCF 7a_100000740644_100015361967 [0,1,0,0,0,0|2,0,1]=4 951 B12R1.279 CC(O)c1cccc(c1)NCF 34a_100011217120_100015361967 [0,1,0,0,0,0|2,0,1]=4 952 B12R1.279 CC(O)c1cccc(c1)OCF 34a_100000748013_100015361967 [0,1,0,0,0,0|1,0,1]=3 953 B12R1.279 CC(O)c1cccc(c1)OCF 7a_100000748013_100015361967 [0,1,0,0,0,0|1,0,1]=3 954 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100000246457_100015361967 [0,1,0,0,0,0|1,1,1]=4 955 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100015361967_100000246457 [0,1,0,0,0,0|1,1,1]=4 956 B12R1.279 CC=Cc1cc(ccn1)C(=O)C 271570a_100016259895_100000685609 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.279 CC=Cc1cc(ccn1)C(=O)N 271570a_100016259895_100000229836 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.279 CC=Cc1cccc(c1)B(O)O 271570a_100016259895_100000687717 [0,1,0,0,0,0|2,0,1]=4 959 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,1,0,0,0,0|2,0,0]=3 960 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [0,1,0,0,0,0|2,0,0]=3 961 B12R1.279 CC=Cc1cccc(c1)C(C)O 271570a_100016259895_100000246457 [0,1,0,0,0,0|2,0,1]=4 962 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.279 CC=Cc1cccc(n1)C(=O)C 271570a_100016259895_100009816502 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.279 CC=Cc1cccc(n1)C(=O)N 271570a_100016259895_100011834053 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.279 CC=Cc1ccnc(c1)C(=O)C 271570a_100016259895_100000709912 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.279 CC=Cc1ccnc(c1)C(=O)N 271570a_100016259895_100000229564 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.279 CC=Cc1cncc(c1)C(=O)C 271570a_100016259895_100011216243 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.279 CC=Cc1cncc(c1)C(=O)N 271570a_100016259895_100000162242 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.279 CCNc1cccc(c1)C(C)O 2230a_100011217120_100000210202 [0,1,0,0,0,0|2,0,1]=4 971 B12R1.279 CCNc1cccc(c1)C(C)O 34a_100011217120_100000210202 [0,1,0,0,0,0|2,0,1]=4 972 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.279 CCNc1cccc(n1)C(=O)C 27a_100015525214_100000085735 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.279 CCNc1cccc(n1)C(=O)N 27a_100015525214_100011834053 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.279 CCNc1ccnc(c1)C(=O)N 27a_100015525214_100000229564 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,1,0,0,0,0|1,0,0]=2 977 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,1,0,0,0,0|1,0,0]=2 978 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,1,0,0,0,0|1,0,0]=2 979 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,1,0,0,0,0|1,0,0]=2 980 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,1,0,0,0,0|1,0,0]=2 981 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,1,0,0,0,0|1,0,0]=2 982 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,1,0,0,0,0|1,1,0]=3 983 B12R1.279 CCOc1cccc(c1)C(C)C 34a_100000211816_100000210202 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.279 CCOc1cccc(c1)C(C)C 7a_100000211816_100000210202 [0,1,0,0,0,0|2,0,1]=4 985 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [0,1,0,0,0,0|2,0,1]=4 986 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [0,1,0,0,0,0|2,0,1]=4 987 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [0,1,0,0,0,0|1,0,1]=3 988 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [0,1,0,0,0,0|1,0,1]=3 989 B12R1.279 CCOc1cccc(c1)N(C)C 34a_100000738785_100000210202 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,1,0,0,0,0|1,0,1]=3 991 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,1,0,0,0,0|1,0,1]=3 992 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.279 CCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000210202 [0,1,0,0,0,0|2,0,1]=4 994 B12R1.279 CCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000210202 [0,1,0,0,0,0|2,0,1]=4 995 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000210202_100000685609 [0,1,0,0,0,0|2,1,0]=4 996 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210202 [0,1,0,0,0,0|2,1,0]=4 997 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000210202_100000229836 [0,1,0,0,0,0|2,1,0]=4 998 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000229836_100000210202 [0,1,0,0,0,0|2,1,0]=4 999 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000210202_100000687717 [0,1,0,0,0,0|1,1,1]=4 1000 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000687717_100000210202 [0,1,0,0,0,0|1,1,1]=4 1001 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,1,0,0,0,0|1,1,0]=3 1002 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,1,0,0,0,0|1,1,0]=3 1003 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,1,0,0,0,0|1,1,0]=3 1004 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,1,0,0,0,0|1,1,0]=3 1005 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000210202_100000246457 [0,1,0,0,0,0|1,1,1]=4 1006 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000246457_100000210202 [0,1,0,0,0,0|1,1,1]=4 1007 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100000210202_100009816267 [0,1,0,0,0,0|2,1,0]=4 1008 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210202 [0,1,0,0,0,0|2,1,0]=4 1009 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100000210202_100009816502 [0,1,0,0,0,0|2,1,0]=4 1010 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210202 [0,1,0,0,0,0|2,1,0]=4 1011 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100000210202_100011834053 [0,1,0,0,0,0|2,1,0]=4 1012 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100011834053_100000210202 [0,1,0,0,0,0|2,1,0]=4 1013 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000210202_100000709912 [0,1,0,0,0,0|2,1,0]=4 1014 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210202 [0,1,0,0,0,0|2,1,0]=4 1015 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000210202_100000229564 [0,1,0,0,0,0|2,1,0]=4 1016 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000229564_100000210202 [0,1,0,0,0,0|2,1,0]=4 1017 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100000210202_100011216243 [0,1,0,0,0,0|2,1,0]=4 1018 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210202 [0,1,0,0,0,0|2,1,0]=4 1019 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000162242_100000210202 [0,1,0,0,0,0|2,1,0]=4 1020 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000210202_100000162242 [0,1,0,0,0,0|2,1,0]=4 1021 B12R1.279 CN(C)c1cccc(c1)CO[13CH3] 34a_100000759682_200025704644 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.279 CN(C)c1cccc(c1)OCF 34a_100000738785_100015361967 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.279 CNCc1cccc(c1)B(O)O 2230a_106832991635_100009814088 [0,1,0,0,0,0|2,0,1]=4 1024 B12R1.279 CNCc1cccc(c1)B(O)O 34a_100102657272_100009814088 [0,1,0,0,0,0|2,0,1]=4 1025 B12R1.279 CNCc1cccc(c1)B(O)O 7a_106832991635_100009814088 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,1,0,0,0,0|1,0,0]=2 1037 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,1,0,0,0,0|1,0,1]=3 1038 B12R1.279 CNCc1cccc(c1)C(C)O 26a_100102657272_100000748013 [0,1,0,0,0,0|2,0,1]=4 1039 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [0,1,0,0,0,0|2,0,1]=4 1040 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [0,1,0,0,0,0|2,0,1]=4 1041 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [0,1,0,0,0,0|2,0,1]=4 1042 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [0,1,0,0,0,0|2,0,1]=4 1043 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [0,1,0,0,0,0|2,0,1]=4 1044 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [0,1,0,0,0,0|2,0,1]=4 1045 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [0,1,0,0,0,0|2,0,1]=4 1046 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [0,1,0,0,0,0|2,0,1]=4 1047 B12R1.279 CNCc1cncc(c1)C(=O)N 2230a_106832991635_200010162415 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.279 CNCc1cncc(c1)C(=O)N 34a_100102657272_200010162415 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.279 CNCc1cncc(c1)C(=O)N 7a_106832991635_200010162415 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.279 COCc1cc(ccn1)[N+](=O)[O-] 34a_100138415774_100010177786 [0,1,0,0,0,0|2,0,1]=4 1051 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [0,1,0,0,0,0|1,0,1]=3 1052 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,1,0,0,0,0|1,0,0]=2 1053 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,1,0,0,0,0|1,0,0]=2 1054 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,1,0,0,0,0|1,0,0]=2 1056 B12R1.279 COCc1cccc(c1)C(F)F 34a_100000723161_200000210301 [0,1,0,0,0,0|2,0,1]=4 1057 B12R1.279 COCc1cccc(c1)C(F)F 34a_100138415774_100012343606 [0,1,0,0,0,0|2,0,1]=4 1058 B12R1.279 COCc1cccc(c1)C(F)F 7a_100000723161_200000210301 [0,1,0,0,0,0|2,0,1]=4 1059 B12R1.279 COCc1cccc(c1)N(C)C 34a_100000759682_200000210301 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,1,0,0,0,0|1,0,1]=3 1061 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,1,0,0,0,0|1,0,1]=3 1062 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,1,0,0,0,0|1,0,1]=3 1063 B12R1.279 COCc1cncc(c1)C(=O)N 34a_100138415774_200010162415 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100009816267_100015361967 [0,1,0,0,0,0|2,1,0]=4 1065 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100015361967_100009816267 [0,1,0,0,0,0|2,1,0]=4 1066 B12R1.279 CSCc1cccc(c1)B(O)O 62a_100009814088_200000210301 [0,1,0,0,0,0|1,1,1]=4 1067 B12R1.279 CSCc1cccc(c1)B(O)O 62a_200000210301_100009814088 [0,1,0,0,0,0|1,1,1]=4 1068 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,1,0,0,0,0|1,1,0]=3 1069 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,1,0,0,0,0|1,1,0]=3 1070 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,1,0,0,0,0|1,1,0]=3 1071 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,1,0,0,0,0|1,1,0]=3 1072 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [0,1,0,0,0,0|1,1,1]=4 1073 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [0,1,0,0,0,0|1,1,1]=4 1074 B12R1.279 CSCc1cncc(c1)C(=O)N 62a_200000210301_200010162415 [0,1,0,0,0,0|2,1,0]=4 1075 B12R1.279 CSCc1cncc(c1)C(=O)N 62a_200010162415_200000210301 [0,1,0,0,0,0|2,1,0]=4 1076 B12R1.279 NC(=O)c1cc(ccn1)SCF 62a_100000229564_100015361967 [0,1,0,0,0,0|2,1,0]=4 1077 B12R1.279 NC(=O)c1cc(ccn1)SCF 62a_100015361967_100000229564 [0,1,0,0,0,0|2,1,0]=4 1078 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,1,0,0,0,0|1,0,0]=2 1080 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,1,0,0,0,0|1,0,0]=2 1081 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,1,0,0,0,0|1,1,0]=3 1082 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,1,0,0,0,0|1,1,0]=3 1083 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100011834053_100015361967 [0,1,0,0,0,0|2,1,0]=4 1084 B12R1.279 NC(=O)c1cccc(n1)SCF 62a_100015361967_100011834053 [0,1,0,0,0,0|2,1,0]=4 1085 B12R1.279 NC(=O)c1ccnc(c1)SCF 62a_100000229836_100015361967 [0,1,0,0,0,0|2,1,0]=4 1086 B12R1.279 NC(=O)c1ccnc(c1)SCF 62a_100015361967_100000229836 [0,1,0,0,0,0|2,1,0]=4 1087 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [0,1,0,0,0,0|2,0,0]=3 1088 B12R1.279 NC(=O)c1cncc(c1)SCF 62a_100000162242_100015361967 [0,1,0,0,0,0|2,1,0]=4 1089 B12R1.279 NC(=O)c1cncc(c1)SCF 62a_100015361967_100000162242 [0,1,0,0,0,0|2,1,0]=4 1090 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,1,0,0,0,0|1,1,0]=3 1091 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,1,0,0,0,0|1,0,1]=3 1093 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,1,0,0,0,0|1,0,1]=3 1094 B12R1.279 O=[N+]([O-])c1cncc(c1)OCF 34a_100009862860_100015361967 [0,1,0,0,0,0|2,0,1]=4 1095 B12R1.279 O=[N+]([O-])c1cncc(c1)OCF 7a_100009862860_100015361967 [0,1,0,0,0,0|2,0,1]=4 1096 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100000687717_100015361967 [0,1,0,0,0,0|1,1,1]=4 1097 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100015361967_100000687717 [0,1,0,0,0,0|1,1,1]=4 1098 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [0,1,0,0,0,0|2,0,1]=4 1099 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,1,0,0,0,0|1,0,0]=2 1102 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [0,1,0,0,0,0|2,0,1]=4 1103 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [0,1,0,0,0,0|2,0,1]=4 1104 B12R1.279 [13CH3]OCc1cccc(c1)C(F)F 34a_100000723161_200025704644 [0,1,0,0,0,0|2,0,1]=4 1105 B12R1.279 [13CH3]OCc1cccc(c1)C(F)F 7a_100000723161_200025704644 [0,1,0,0,0,0|2,0,1]=4 1106 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,1,0,0,0,0|1,0,1]=3 1107 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,1,0,0,0,0|1,0,1]=3 1108 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_100009814088_200025704644 [0,1,0,0,0,0|1,1,1]=4 1109 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_200025704644_100009814088 [0,1,0,0,0,0|1,1,1]=4 1110 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,1,0,0,0,0|1,1,0]=3 1111 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,1,0,0,0,0|1,1,0]=3 1112 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [0,1,0,0,0,0|1,1,1]=4 1113 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [0,1,0,0,0,0|1,1,1]=4 1114 B12R1.279 [13CH3]SCc1cncc(c1)C(=O)N 62a_200010162415_200025704644 [0,1,0,0,0,0|2,1,0]=4 1115 B12R1.279 [13CH3]SCc1cncc(c1)C(=O)N 62a_200025704644_200010162415 [0,1,0,0,0,0|2,1,0]=4 1116 B12R1.435 C#Cc1cccc(c1)C(=O)CC 1458a_100011997762_100000210202 [0,1,0,0,0,0|2,0,1]=4 1117 B12R1.435 C#Cc1cccc(c1)C(=O)CF 1458a_100011997762_100015361967 [0,1,0,0,0,0|2,0,1]=4 1118 B12R1.435 C#Cc1cccc(c1)C(=O)NC 11a_106832991635_100011997762 [0,1,0,0,0,0|2,0,1]=4 1119 B12R1.435 C#Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011997762 [0,1,0,0,0,0|2,0,1]=4 1120 B12R1.435 C#Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011997762 [0,1,0,0,0,0|2,0,1]=4 1121 B12R1.435 C#Cc1cccc(c1)C(=O)NC 527a_100102657272_100011997762 [0,1,0,0,0,0|2,0,1]=4 1122 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,1,0,0,0,0|2,0,1]=4 1123 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,1,0,0,0,0|2,0,1]=4 1124 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,1,0,0,0,0|1,0,2]=4 1125 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,1,0,0,0,0|2,0,1]=4 1126 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,1,0,0,0,0|2,0,1]=4 1127 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,1,0,0,0,0|2,0,1]=4 1128 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,1,0,0,0,0|2,0,1]=4 1129 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,1,0,0,0,0|2,0,1]=4 1130 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,1,0,0,0,0|2,0,1]=4 1131 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,1,0,0,0,0|2,0,1]=4 1132 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,1,0,0,0,0|2,0,1]=4 1133 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,1,0,0,0,0|2,0,1]=4 1134 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,1,0,0,0,0|2,0,1]=4 1135 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,1,0,0,0,0|1,0,1]=3 1136 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,1,0,0,0,0|2,0,1]=4 1137 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,1,0,0,0,0|2,0,1]=4 1138 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,1,0,0,0,0|2,0,1]=4 1139 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000094848_200000210301 [0,1,0,0,0,0|2,1,0]=4 1141 B12R1.435 CCC(=O)c1cc(ccn1)SC 62a_200000210301_200000094848 [0,1,0,0,0,0|2,1,0]=4 1142 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200000094848_200025704644 [0,1,0,0,0,0|2,1,0]=4 1143 B12R1.435 CCC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_200000094848 [0,1,0,0,0,0|2,1,0]=4 1144 B12R1.435 CCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210202 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,1,0,0,0,0|1,0,0]=2 1148 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,1,0,0,0,0|1,0,0]=2 1149 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,1,0,0,0,0|1,0,0]=2 1150 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,1,0,0,0,0|1,0,0]=2 1151 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,1,0,0,0,0|1,0,0]=2 1152 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,1,0,0,0,0|1,1,0]=3 1153 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,1,0,0,0,0|1,1,0]=3 1154 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,1,0,0,0,0|1,1,0]=3 1155 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,1,0,0,0,0|1,1,0]=3 1156 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,1,0,0,0,0|1,1,0]=3 1157 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_100011004013_200000210301 [0,1,0,0,0,0|2,1,0]=4 1158 B12R1.435 CCC(=O)c1cccc(n1)SC 62a_200000210301_100011004013 [0,1,0,0,0,0|2,1,0]=4 1159 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_100011004013_200025704644 [0,1,0,0,0,0|2,1,0]=4 1160 B12R1.435 CCC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100011004013 [0,1,0,0,0,0|2,1,0]=4 1161 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [0,1,0,0,0,0|2,0,1]=4 1162 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [0,1,0,0,0,0|2,0,1]=4 1163 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [0,1,0,0,0,0|1,1,1]=4 1164 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [0,1,0,0,0,0|1,1,1]=4 1165 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [0,1,0,0,0,0|1,1,1]=4 1166 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [0,1,0,0,0,0|1,1,1]=4 1167 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [0,1,0,0,0,0|3,0,0]=4 1173 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1175 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.435 CNC(=O)c1cc(ccn1)NC 27a_100102657272_100000204654 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_100000204654_200000210301 [0,1,0,0,0,0|2,1,0]=4 1183 B12R1.435 CNC(=O)c1cc(ccn1)SC 62a_200000210301_100000204654 [0,1,0,0,0,0|2,1,0]=4 1184 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_100000204654_200025704644 [0,1,0,0,0,0|2,1,0]=4 1185 B12R1.435 CNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000204654 [0,1,0,0,0,0|2,1,0]=4 1186 B12R1.435 CNC(=O)c1cccc(c1)C#N 11a_106832991635_100000183950 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.435 CNC(=O)c1cccc(c1)C#N 1626a_100102657272_100000183950 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.435 CNC(=O)c1cccc(c1)C#N 240690a_100102657272_100000183950 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.435 CNC(=O)c1cccc(c1)C#N 527a_100102657272_100000183950 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1192 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1193 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,1,0,0,0,0|1,0,0]=2 1194 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,1,0,0,0,0|1,0,0]=2 1195 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,1,0,0,0,0|1,0,0]=2 1196 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,1,0,0,0,0|1,0,0]=2 1197 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,1,0,0,0,0|1,0,0]=2 1198 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,1,0,0,0,0|1,0,0]=2 1199 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,1,0,0,0,0|1,0,0]=2 1200 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,1,0,0,0,0|1,0,0]=2 1201 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,1,0,0,0,0|1,1,0]=3 1202 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,1,0,0,0,0|1,1,0]=3 1203 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,1,0,0,0,0|1,1,0]=3 1204 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,1,0,0,0,0|1,1,0]=3 1205 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,1,0,0,0,0|1,1,0]=3 1206 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,1,0,0,0,0|1,1,0]=3 1207 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,1,0,0,0,0|1,1,0]=3 1208 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,1,0,0,0,0|1,1,0]=3 1209 B12R1.435 CNC(=O)c1cccc(n1)NC 27a_100102657272_100000755456 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_100000755456_200000210301 [0,1,0,0,0,0|2,1,0]=4 1211 B12R1.435 CNC(=O)c1cccc(n1)SC 62a_200000210301_100000755456 [0,1,0,0,0,0|2,1,0]=4 1212 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_100000755456_200025704644 [0,1,0,0,0,0|2,1,0]=4 1213 B12R1.435 CNC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000755456 [0,1,0,0,0,0|2,1,0]=4 1214 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_100011196506_200000210301 [0,1,0,0,0,0|2,1,0]=4 1215 B12R1.435 CNC(=O)c1ccnc(c1)SC 62a_200000210301_100011196506 [0,1,0,0,0,0|2,1,0]=4 1216 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_100011196506_200025704644 [0,1,0,0,0,0|2,1,0]=4 1217 B12R1.435 CNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011196506 [0,1,0,0,0,0|2,1,0]=4 1218 B12R1.435 CNC(=O)c1cncc(c1)NC 27a_100102657272_200000155086 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000155086_200000210301 [0,1,0,0,0,0|2,1,0]=4 1220 B12R1.435 CNC(=O)c1cncc(c1)SC 62a_200000210301_200000155086 [0,1,0,0,0,0|2,1,0]=4 1221 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200000155086_200025704644 [0,1,0,0,0,0|2,1,0]=4 1222 B12R1.435 CNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155086 [0,1,0,0,0,0|2,1,0]=4 1223 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [0,1,0,0,0,0|2,0,1]=4 1224 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [0,1,0,0,0,0|2,0,1]=4 1225 B12R1.435 CNc1cc(cnn1)C(=O)OC 27a_100102657272_100009862058 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.435 CNc1cc(ncn1)C(=O)OC 27a_100102657272_100000051410 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,1,0,0,0,0|2,0,0]=3 1228 B12R1.435 CNc1cncc(n1)C(=O)OC 27a_100102657272_100000765340 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.435 CNc1nccc(n1)C(=O)OC 27a_100102657272_100000070389 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,1,0,0,0,0|1,0,0]=2 1231 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,1,0,0,0,0|1,0,0]=2 1232 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,1,0,0,0,0|1,1,0]=3 1233 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,1,0,0,0,0|1,1,0]=3 1234 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,1,0,0,0,0|1,1,0]=3 1235 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,1,0,0,0,0|1,1,0]=3 1236 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_100000051410_200000210301 [0,1,0,0,0,0|2,1,0]=4 1237 B12R1.435 COC(=O)c1cc(ncn1)SC 62a_200000210301_100000051410 [0,1,0,0,0,0|2,1,0]=4 1238 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_100000051410_200025704644 [0,1,0,0,0,0|2,1,0]=4 1239 B12R1.435 COC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100000051410 [0,1,0,0,0,0|2,1,0]=4 1240 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,1,0,0,0,0|0,0,0]=1 1241 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,1,0,0,0,0|0,0,0]=1 1242 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,1,0,0,0,0|0,0,0]=1 1243 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,1,0,0,0,0|0,0,0]=1 1244 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,1,0,0,0,0|0,1,0]=2 1245 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,1,0,0,0,0|0,1,0]=2 1246 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,1,0,0,0,0|0,1,0]=2 1247 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,1,0,0,0,0|0,1,0]=2 1248 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,1,0,0,0,0|1,1,0]=3 1249 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,1,0,0,0,0|1,1,0]=3 1250 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,1,0,0,0,0|1,1,0]=3 1251 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,1,0,0,0,0|1,1,0]=3 1252 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,1,0,0,0,0|1,0,0]=2 1253 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,1,0,0,0,0|1,0,0]=2 1254 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,1,0,0,0,0|1,1,0]=3 1255 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,1,0,0,0,0|1,1,0]=3 1256 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,1,0,0,0,0|1,1,0]=3 1257 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,1,0,0,0,0|1,1,0]=3 1258 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_100000070389_200000210301 [0,1,0,0,0,0|2,1,0]=4 1259 B12R1.435 COC(=O)c1ccnc(n1)SC 62a_200000210301_100000070389 [0,1,0,0,0,0|2,1,0]=4 1260 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_100000070389_200025704644 [0,1,0,0,0,0|2,1,0]=4 1261 B12R1.435 COC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000070389 [0,1,0,0,0,0|2,1,0]=4 1262 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,1,0,0,0,0|1,0,0]=2 1263 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,1,0,0,0,0|1,0,0]=2 1264 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,1,0,0,0,0|1,0,0]=2 1265 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,1,0,0,0,0|1,0,0]=2 1266 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,1,0,0,0,0|1,1,0]=3 1267 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,1,0,0,0,0|1,1,0]=3 1268 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,1,0,0,0,0|1,1,0]=3 1269 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,1,0,0,0,0|1,1,0]=3 1270 B12R1.435 COC(=O)c1cncc(n1)SC 62a_100000765340_200000210301 [0,1,0,0,0,0|2,1,0]=4 1271 B12R1.435 COC(=O)c1cncc(n1)SC 62a_200000210301_100000765340 [0,1,0,0,0,0|2,1,0]=4 1272 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_100000765340_200025704644 [0,1,0,0,0,0|2,1,0]=4 1273 B12R1.435 COC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100000765340 [0,1,0,0,0,0|2,1,0]=4 1274 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_100009862058_200000210301 [0,1,0,0,0,0|2,1,0]=4 1275 B12R1.435 COC(=O)c1cnnc(c1)SC 62a_200000210301_100009862058 [0,1,0,0,0,0|2,1,0]=4 1276 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_100009862058_200025704644 [0,1,0,0,0,0|2,1,0]=4 1277 B12R1.435 COC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009862058 [0,1,0,0,0,0|2,1,0]=4 1278 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [0,1,0,0,0,0|1,0,0]=2 1280 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,1,0,0,0,0|1,0,0]=2 1281 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,1,0,0,0,0|1,0,0]=2 1282 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1283 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [0,1,0,0,0,0|2,0,1]=4 1284 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,1,0,0,0,0|1,0,1]=3 1285 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,1,0,0,0,0|1,0,1]=3 1286 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,1,0,0,0,0|1,0,1]=3 1287 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,1,0,0,0,0|1,0,1]=3 1288 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [0,1,0,0,0,0|1,0,1]=3 1289 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [0,1,0,0,0,0|1,0,1]=3 1290 B12R1.435 COc1cccc(c1)N(C)CF 269982a_100000219725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1291 B12R1.435 COc1cccc(c1)N(C)CF 34a_100000219725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1292 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_100000021280_200000210301 [0,1,0,0,0,0|2,1,0]=4 1293 B12R1.435 CSc1cc(ccn1)C(=O)NN 62a_200000210301_100000021280 [0,1,0,0,0,0|2,1,0]=4 1294 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,1,0,0,0,0|1,1,0]=3 1295 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,1,0,0,0,0|0,1,1]=3 1296 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,1,0,0,0,0|0,1,1]=3 1297 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,1,0,0,0,0|1,1,0]=3 1298 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,1,0,0,0,0|1,1,0]=3 1299 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,1,0,0,0,0|1,1,0]=3 1300 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,1,0,0,0,0|1,1,0]=3 1301 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,1,0,0,0,0|1,1,0]=3 1302 B12R1.435 CSc1cccc(c1)C(N)CO 62a_100000690078_200000210301 [0,1,0,0,0,0|1,1,1]=4 1303 B12R1.435 CSc1cccc(c1)C(N)CO 62a_200000210301_100000690078 [0,1,0,0,0,0|1,1,1]=4 1304 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_100011631096_200000210301 [0,1,0,0,0,0|2,1,0]=4 1305 B12R1.435 CSc1cccc(n1)C(=O)NN 62a_200000210301_100011631096 [0,1,0,0,0,0|2,1,0]=4 1306 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_100000017052_200000210301 [0,1,0,0,0,0|2,1,0]=4 1307 B12R1.435 CSc1ccnc(c1)C(=O)NN 62a_200000210301_100000017052 [0,1,0,0,0,0|2,1,0]=4 1308 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_100000189809_200000210301 [0,1,0,0,0,0|2,1,0]=4 1309 B12R1.435 CSc1cncc(c1)C(=O)NN 62a_200000210301_100000189809 [0,1,0,0,0,0|2,1,0]=4 1310 B12R1.435 N#Cc1cccc(c1)C(=O)CF 1458a_100000183950_100015361967 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [0,1,0,0,0,0|1,0,0]=2 1313 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,1,0,0,0,0|1,0,0]=2 1314 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,1,0,0,0,0|1,0,0]=2 1315 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [0,1,0,0,0,0|1,0,1]=3 1316 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [0,1,0,0,0,0|1,0,1]=3 1317 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_100000021280_200025704644 [0,1,0,0,0,0|2,1,0]=4 1318 B12R1.435 [13CH3]Sc1cc(ccn1)C(=O)NN 62a_200025704644_100000021280 [0,1,0,0,0,0|2,1,0]=4 1319 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,1,0,0,0,0|1,1,0]=3 1320 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,1,0,0,0,0|0,1,1]=3 1321 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,1,0,0,0,0|0,1,1]=3 1322 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,1,0,0,0,0|1,1,0]=3 1323 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,1,0,0,0,0|1,1,0]=3 1324 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,1,0,0,0,0|1,1,0]=3 1325 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,1,0,0,0,0|1,1,0]=3 1326 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_100000690078_200025704644 [0,1,0,0,0,0|1,1,1]=4 1327 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_200025704644_100000690078 [0,1,0,0,0,0|1,1,1]=4 1328 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_100011631096_200025704644 [0,1,0,0,0,0|2,1,0]=4 1329 B12R1.435 [13CH3]Sc1cccc(n1)C(=O)NN 62a_200025704644_100011631096 [0,1,0,0,0,0|2,1,0]=4 1330 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_100000017052_200025704644 [0,1,0,0,0,0|2,1,0]=4 1331 B12R1.435 [13CH3]Sc1ccnc(c1)C(=O)NN 62a_200025704644_100000017052 [0,1,0,0,0,0|2,1,0]=4 1332 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_100000189809_200025704644 [0,1,0,0,0,0|2,1,0]=4 1333 B12R1.435 [13CH3]Sc1cncc(c1)C(=O)NN 62a_200025704644_100000189809 [0,1,0,0,0,0|2,1,0]=4 1334 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 34a_100000211624_200025704644 [0,1,0,0,0,0|2,0,1]=4 1335 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 7a_100000211624_200025704644 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 34a_200000085863_200025704644 [0,1,0,0,0,0|1,0,1]=3 1337 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 7a_200000085863_200025704644 [0,1,0,0,0,0|1,0,1]=3 1338 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_100011346009_200025704644 [0,1,0,0,0,0|1,1,1]=4 1339 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_200025704644_100011346009 [0,1,0,0,0,0|1,1,1]=4 1340 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 34a_100000209861_200000210301 [0,1,0,0,0,0|2,0,1]=4 1341 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 7a_100000209861_200000210301 [0,1,0,0,0,0|2,0,1]=4 1342 B12R1.436 CNc1cccc(c1)S(=O)(=O)N 34a_100000182236_200000210301 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.436 COc1cccc(c1)C(C)(C)C 34a_100000211624_200000210301 [0,1,0,0,0,0|2,0,1]=4 1344 B12R1.436 COc1cccc(c1)C(C)(C)C 7a_100000211624_200000210301 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.436 COc1cccc(c1)C(C)(C)O 34a_200000085863_200000210301 [0,1,0,0,0,0|1,0,1]=3 1346 B12R1.436 COc1cccc(c1)C(C)(C)O 7a_200000085863_200000210301 [0,1,0,0,0,0|1,0,1]=3 1347 B12R1.436 COc1cccc(c1)C(F)(F)F 34a_100000210832_200000210301 [0,1,0,0,0,0|2,0,1]=4 1348 B12R1.436 COc1cccc(c1)C(F)(F)F 7a_100000210832_200000210301 [0,1,0,0,0,0|2,0,1]=4 1349 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [0,1,0,0,0,0|1,0,1]=3 1350 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 34a_100000209861_200025704644 [0,1,0,0,0,0|2,0,1]=4 1351 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 7a_100000209861_200025704644 [0,1,0,0,0,0|2,0,1]=4 1352 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_100009815773_200025704644 [0,1,0,0,0,0|1,1,1]=4 1353 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009815773 [0,1,0,0,0,0|1,1,1]=4 1354 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_100011346009_200000210301 [0,1,0,0,0,0|1,1,1]=4 1355 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_200000210301_100011346009 [0,1,0,0,0,0|1,1,1]=4 1356 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_100009815773_200000210301 [0,1,0,0,0,0|1,1,1]=4 1357 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_200000210301_100009815773 [0,1,0,0,0,0|1,1,1]=4 1358 B12R1.436 CSc1cccc(c1)S(=O)(=O)N 62a_100000164563_200000210301 [0,1,0,0,0,0|1,1,1]=4 1359 B12R1.436 CSc1cccc(c1)S(=O)(=O)N 62a_200000210301_100000164563 [0,1,0,0,0,0|1,1,1]=4 1360 B12R1.436 [13CH3]Nc1cccc(c1)S(=O)(=O)N 34a_100000182236_200025704644 [0,1,0,0,0,0|2,0,1]=4 1361 B12R1.436 [13CH3]Oc1cccc(c1)C(F)(F)F 34a_100000210832_200025704644 [0,1,0,0,0,0|2,0,1]=4 1362 B12R1.436 [13CH3]Oc1cccc(c1)C(F)(F)F 7a_100000210832_200025704644 [0,1,0,0,0,0|2,0,1]=4 1363 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [0,1,0,0,0,0|1,0,1]=3 1364 B12R1.436 [13CH3]Sc1cccc(c1)S(=O)(=O)N 62a_100000164563_200025704644 [0,1,0,0,0,0|1,1,1]=4 1365 B12R1.436 [13CH3]Sc1cccc(c1)S(=O)(=O)N 62a_200025704644_100000164563 [0,1,0,0,0,0|1,1,1]=4 1366 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [0,1,0,0,0,0|2,0,0]=3 1367 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [0,1,0,0,0,0|2,0,0]=3 1369 B12R1.440 C=C(C)c1cccc(c1N)NC 271570a_100000694244_100000695761 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [0,1,0,0,0,0|2,0,0]=3 1371 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,1,0,0,0,0|2,0,0]=3 1373 B12R1.440 C=C(C)c1ccnc(c1C)OC 271570a_100000694244_100010068544 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.440 C=C(C)c1ccnc(c1F)OC 271570a_100000694244_100009885657 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.440 C=C(C)c1cncc(c1C)OC 271570a_100000694244_100010136163 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.440 C=C(C)c1nccc(c1C)OC 271570a_100000694244_100010067686 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.440 C=C(C)c1nccc(c1F)OC 271570a_100000694244_200010136267 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.440 C=C(C)c1nccc(c1N)OC 271570a_100000694244_100000100113 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.440 C=Cc1cccc(c1C)C(=O)C 271570a_100011290941_100012706834 [0,1,0,0,0,0|2,0,1]=4 1380 B12R1.440 C=Cc1cccc(c1C)C(=O)N 271570a_100011290941_200012298201 [0,1,0,0,0,0|2,0,1]=4 1381 B12R1.440 C=Cc1cccc(c1F)C(=O)C 271570a_100011290941_100012355707 [0,1,0,0,0,0|2,0,1]=4 1382 B12R1.440 C=Cc1cccc(c1F)C(=O)N 271570a_100011290941_100012351131 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.440 C=Cc1cccc(c1N)C(=O)N 271570a_100011290941_100010144993 [0,1,0,0,0,0|2,0,1]=4 1384 B12R1.440 C=Cc1cccc(c1O)C(=O)C 271570a_100011290941_100009815558 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,1,0,0,0,0|1,0,0]=2 1386 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,1,0,0,0,0|1,0,0]=2 1387 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,1,0,0,0,0|1,1,0]=3 1388 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,1,0,0,0,0|1,1,0]=3 1389 B12R1.440 CC(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200000210301 [0,1,0,0,0,0|3,0,0]=4 1390 B12R1.440 CC(=O)c1cccc(c1F)C#N 1458a_100011999812_200000210301 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,1,0,0,0,0|1,0,0]=2 1392 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,1,0,0,0,0|1,0,0]=2 1393 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,1,0,0,0,0|1,1,0]=3 1394 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,1,0,0,0,0|1,1,0]=3 1395 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,1,0,0,0,0|1,0,0]=2 1396 B12R1.440 CC(=O)c1cccc(c1O)C#N 1458a_100009886288_200000210301 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.440 CC(=O)c1ccnc(c1N)S[13CH3] 62a_200000063496_200025704644 [0,1,0,0,0,0|2,1,0]=4 1398 B12R1.440 CC(=O)c1ccnc(c1N)S[13CH3] 62a_200025704644_200000063496 [0,1,0,0,0,0|2,1,0]=4 1399 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_100010729024_200025704644 [0,1,0,0,0,0|2,1,0]=4 1400 B12R1.440 CC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100010729024 [0,1,0,0,0,0|2,1,0]=4 1401 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200012356376_200025704644 [0,1,0,0,0,0|1,1,1]=4 1402 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200025704644_200012356376 [0,1,0,0,0,0|1,1,1]=4 1403 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,1,0,0,0,0|2,0,0]=3 1406 B12R1.440 CNc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200000210301 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,1,0,0,0,0|1,0,0]=2 1408 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,1,0,0,0,0|1,0,0]=2 1409 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,1,0,0,0,0|1,0,1]=3 1410 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,1,0,0,0,0|1,0,1]=3 1411 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,1,0,0,0,0|1,0,0]=2 1412 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,1,0,0,0,0|1,0,0]=2 1413 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,1,0,0,0,0|1,0,0]=2 1414 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,1,0,0,0,0|1,0,0]=2 1415 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,1,0,0,0,0|1,0,1]=3 1416 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,1,0,0,0,0|1,0,1]=3 1417 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,1,0,0,0,0|1,0,0]=2 1418 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,1,0,0,0,0|1,0,0]=2 1419 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,1,0,0,0,0|1,0,1]=3 1420 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,1,0,0,0,0|1,0,1]=3 1421 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,1,0,0,0,0|1,0,0]=2 1422 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,1,0,0,0,0|1,0,0]=2 1423 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,1,0,0,0,0|1,0,0]=2 1424 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,1,0,0,0,0|1,0,0]=2 1425 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,1,0,0,0,0|1,0,0]=2 1426 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,1,0,0,0,0|1,0,0]=2 1427 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,1,0,0,0,0|1,0,1]=3 1428 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,1,0,0,0,0|1,0,1]=3 1429 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,1,0,0,0,0|1,0,0]=2 1430 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,1,0,0,0,0|1,0,0]=2 1431 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,1,0,0,0,0|1,0,1]=3 1432 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,1,0,0,0,0|1,0,0]=2 1433 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,1,0,0,0,0|1,0,1]=3 1434 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,1,0,0,0,0|1,0,0]=2 1435 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,1,0,0,0,0|1,0,0]=2 1436 B12R1.440 CSc1cccc(c1C)B(O)O 62a_100000724322_200000210301 [0,1,0,0,0,0|1,1,1]=4 1437 B12R1.440 CSc1cccc(c1C)B(O)O 62a_200000210301_100000724322 [0,1,0,0,0,0|1,1,1]=4 1438 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,1,0,0,0,0|1,1,0]=3 1439 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,1,0,0,0,0|1,1,0]=3 1440 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,1,0,0,0,0|1,1,0]=3 1441 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,1,0,0,0,0|1,1,0]=3 1442 B12R1.440 CSc1cccc(c1F)B(O)O 62a_100011934463_200000210301 [0,1,0,0,0,0|1,1,1]=4 1443 B12R1.440 CSc1cccc(c1F)B(O)O 62a_200000210301_100011934463 [0,1,0,0,0,0|1,1,1]=4 1444 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,1,0,0,0,0|1,1,0]=3 1445 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,1,0,0,0,0|1,1,0]=3 1446 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,1,0,0,0,0|1,1,0]=3 1447 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,1,0,0,0,0|1,1,0]=3 1448 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200000210301_200012356376 [0,1,0,0,0,0|1,1,1]=4 1449 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200012356376_200000210301 [0,1,0,0,0,0|1,1,1]=4 1450 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,1,0,0,0,0|1,1,0]=3 1451 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_100010729024_200000210301 [0,1,0,0,0,0|2,1,0]=4 1452 B12R1.440 CSc1ccnc(c1F)C(=O)C 62a_200000210301_100010729024 [0,1,0,0,0,0|2,1,0]=4 1453 B12R1.440 CSc1nccc(c1N)C(=O)C 62a_200000063496_200000210301 [0,1,0,0,0,0|2,1,0]=4 1454 B12R1.440 CSc1nccc(c1N)C(=O)C 62a_200000210301_200000063496 [0,1,0,0,0,0|2,1,0]=4 1455 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_100000080204_200000210301 [0,1,0,0,0,0|2,1,0]=4 1456 B12R1.440 CSc1nccc(c1N)C(=O)N 62a_200000210301_100000080204 [0,1,0,0,0,0|2,1,0]=4 1457 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_100000724322_200025704644 [0,1,0,0,0,0|1,1,1]=4 1458 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_200025704644_100000724322 [0,1,0,0,0,0|1,1,1]=4 1459 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,1,0,0,0,0|1,1,0]=3 1462 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,1,0,0,0,0|1,1,0]=3 1463 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,1,0,0,0,0|1,0,1]=3 1464 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,1,0,0,0,0|1,0,1]=3 1465 B12R1.440 [13CH3]C(=O)c1cccc(c1Cl)C#N 1458a_100009860865_200025704644 [0,1,0,0,0,0|3,0,0]=4 1466 B12R1.440 [13CH3]C(=O)c1cccc(c1F)C#N 1458a_100011999812_200025704644 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.440 [13CH3]C(=O)c1cccc(c1O)C#N 1458a_100009886288_200025704644 [0,1,0,0,0,0|3,0,0]=4 1468 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,1,0,0,0,0|2,0,0]=3 1469 B12R1.440 [13CH3]Nc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200025704644 [0,1,0,0,0,0|2,0,1]=4 1470 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,1,0,0,0,0|1,0,1]=3 1471 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,1,0,0,0,0|1,0,1]=3 1472 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,1,0,0,0,0|1,0,1]=3 1473 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,1,0,0,0,0|1,0,1]=3 1474 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,1,0,0,0,0|1,0,0]=2 1475 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,1,0,0,0,0|1,0,0]=2 1476 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,1,0,0,0,0|1,0,1]=3 1477 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,1,0,0,0,0|1,0,1]=3 1478 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,1,0,0,0,0|1,0,1]=3 1479 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,1,0,0,0,0|1,0,1]=3 1480 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_100011934463_200025704644 [0,1,0,0,0,0|1,1,1]=4 1481 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_200025704644_100011934463 [0,1,0,0,0,0|1,1,1]=4 1482 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,1,0,0,0,0|1,1,0]=3 1483 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,1,0,0,0,0|1,1,0]=3 1484 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,1,0,0,0,0|1,1,0]=3 1485 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_100000080204_200025704644 [0,1,0,0,0,0|2,1,0]=4 1486 B12R1.440 [13CH3]Sc1nccc(c1N)C(=O)N 62a_200025704644_100000080204 [0,1,0,0,0,0|2,1,0]=4 1487 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [0,1,0,0,0,0|2,0,0]=3 1488 B12R1.453 C=C(C)c1cc(ccc1C)NC 271570a_100000694244_100000707694 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [0,1,0,0,0,0|2,0,0]=3 1490 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [0,1,0,0,0,0|2,0,0]=3 1491 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [0,1,0,0,0,0|2,0,0]=3 1493 B12R1.453 C=C(C)c1cc(ccc1F)SC 271570a_100000694244_200010708804 [0,1,0,0,0,0|2,1,0]=4 1494 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|2,0,0]=3 1498 B12R1.453 C=C(C)c1cc(cnc1F)OC 271570a_100000694244_100010068374 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.453 C=C(C)c1cc(ncc1C)OC 271570a_100000694244_100010068546 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.453 C=C(C)c1cc(ncc1Cl)OC 271570a_100000694244_100010068019 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.453 C=C(C)c1cc(ncc1F)OC 271570a_100000694244_100010160775 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.453 C=C(C)c1nc(ccc1N)OC 271570a_100000694244_100000069805 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,1,0,0,0,0|2,0,1]=4 1504 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100011290941_100010712560 [0,1,0,0,0,0|2,0,1]=4 1505 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)F 271570a_100011290941_100000689017 [0,1,0,0,0,0|2,0,1]=4 1506 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)N 271570a_100011290941_100000695420 [0,1,0,0,0,0|2,0,1]=4 1507 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|2,0,1]=4 1508 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)C 271570a_100011290941_100012257281 [0,1,0,0,0,0|2,0,1]=4 1509 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)F 271570a_100011290941_100000162119 [0,1,0,0,0,0|2,0,1]=4 1510 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)N 271570a_100011290941_100000740421 [0,1,0,0,0,0|2,0,1]=4 1511 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,0,0|2,0,1]=4 1512 B12R1.453 CC(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200000210301 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,0|1,1,0]=3 1516 B12R1.453 CC(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200000210301 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,0,0|1,0,0]=2 1518 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,0,0|1,0,0]=2 1519 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,1,0,0,0,0|1,1,0]=3 1520 B12R1.453 CC(=O)c1cc(ccc1F)C#N 1458a_100011218479_200000210301 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,0,0|1,0,0]=2 1522 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,0,0|1,0,0]=2 1523 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,1,0,0,0,0|1,1,0]=3 1524 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,1,0,0,0,0|1,1,0]=3 1525 B12R1.453 CC(=O)c1cc(ccc1I)C#N 1458a_200010191847_200000210301 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,1,0,0,0,0|1,1,0]=3 1527 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_100138557192_200025704644 [0,1,0,0,0,0|2,1,0]=4 1530 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100138557192 [0,1,0,0,0,0|2,1,0]=4 1531 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_100010254234_200025704644 [0,1,0,0,0,0|2,1,0]=4 1532 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010254234 [0,1,0,0,0,0|2,1,0]=4 1533 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_100010173950_200025704644 [0,1,0,0,0,0|2,1,0]=4 1534 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100010173950 [0,1,0,0,0,0|2,1,0]=4 1535 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_100000697832_200025704644 [0,1,0,0,0,0|2,1,0]=4 1536 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100000697832 [0,1,0,0,0,0|2,1,0]=4 1537 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_100009887703_200025704644 [0,1,0,0,0,0|2,1,0]=4 1538 B12R1.453 CC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100009887703 [0,1,0,0,0,0|2,1,0]=4 1539 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_100011943926_200025704644 [0,1,0,0,0,0|1,1,1]=4 1540 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100011943926 [0,1,0,0,0,0|1,1,1]=4 1541 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|2,0,0]=3 1543 B12R1.453 CN(C)c1cc(ccc1I)O[13CH3] 34a_200010083878_200025704644 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,1,0,0,0,0|2,0,0]=3 1545 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,1,0,0,0,0|2,0,0]=3 1546 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,1,0,0,0,0|2,0,0]=3 1547 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,1,0,0,0,0|2,0,0]=3 1548 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,1,0,0,0,0|2,0,0]=3 1549 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,1,0,0,0,0|2,0,0]=3 1550 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,1,0,0,0,0|2,0,0]=3 1551 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [0,1,0,0,0,0|2,0,1]=4 1553 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [0,1,0,0,0,0|2,0,1]=4 1554 B12R1.453 COc1cc(c(cn1)O)B(O)O 271570a_203496583355_100009814741 [0,1,0,0,0,0|2,0,1]=4 1555 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,1,0,0,0,0|1,0,1]=3 1556 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,0,0|1,0,0]=2 1557 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,0|1,0,0]=2 1558 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,0,0|1,0,0]=2 1559 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,0,0|1,0,0]=2 1560 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,0,0|1,0,0]=2 1561 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1562 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,0,0|1,0,0]=2 1563 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,0,0|1,0,0]=2 1564 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,0,0|1,0,0]=2 1565 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|1,0,0]=2 1566 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|1,0,0]=2 1567 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,1,0,0,0,0|1,0,0]=2 1568 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,0,0|1,0,0]=2 1569 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,0|1,0,0]=2 1570 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,0,0|1,0,0]=2 1571 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1572 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,0,0|1,0,0]=2 1573 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|1,0,0]=2 1574 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [0,1,0,0,0,0|2,0,1]=4 1575 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.453 COc1ccc(c(c1)N(C)C)I 34a_200010083878_200000210301 [0,1,0,0,0,0|3,0,0]=4 1577 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,1,0,0,0,0|2,0,1]=4 1578 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,1,0,0,0,0|1,0,1]=3 1579 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,1,0,0,0,0|1,0,1]=3 1580 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,1,0,0,0,0|1,0,1]=3 1581 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,1,0,0,0,0|1,0,1]=3 1582 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,1,0,0,0,0|1,0,1]=3 1583 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,1,0,0,0,0|1,0,1]=3 1584 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,1,0,0,0,0|1,0,1]=3 1585 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,1,0,0,0,0|1,0,1]=3 1586 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,1,0,0,0,0|1,0,1]=3 1587 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,1,0,0,0,0|1,0,1]=3 1588 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,1,0,0,0,0|1,0,1]=3 1589 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_100000697832_200000210301 [0,1,0,0,0,0|2,1,0]=4 1590 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_200000210301_100000697832 [0,1,0,0,0,0|2,1,0]=4 1591 B12R1.453 CSc1cc(c(cn1)F)C(=O)N 62a_100015943597_200000210301 [0,1,0,0,0,0|2,1,0]=4 1592 B12R1.453 CSc1cc(c(cn1)F)C(=O)N 62a_200000210301_100015943597 [0,1,0,0,0,0|2,1,0]=4 1593 B12R1.453 CSc1cc(c(cn1)N)C(=O)N 62a_100012003536_200000210301 [0,1,0,0,0,0|2,1,0]=4 1594 B12R1.453 CSc1cc(c(cn1)N)C(=O)N 62a_200000210301_100012003536 [0,1,0,0,0,0|2,1,0]=4 1595 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200000210301_200010171685 [0,1,0,0,0,0|1,1,1]=4 1596 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200010171685_200000210301 [0,1,0,0,0,0|1,1,1]=4 1597 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_100010223188_200000210301 [0,1,0,0,0,0|1,1,1]=4 1598 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_200000210301_100010223188 [0,1,0,0,0,0|1,1,1]=4 1599 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_100011356809_200000210301 [0,1,0,0,0,0|1,1,1]=4 1600 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_200000210301_100011356809 [0,1,0,0,0,0|1,1,1]=4 1601 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,0|1,1,0]=3 1602 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,1,0,0,0,0|1,1,0]=3 1603 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,1,0,0,0,0|1,1,0]=3 1604 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,1,0,0,0,0|1,1,0]=3 1605 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,1,0,0,0,0|1,1,0]=3 1606 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,1,0,0,0,0|1,1,0]=3 1607 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,1,0,0,0,0|1,1,0]=3 1608 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,1,0,0,0,0|1,1,0]=3 1609 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,1,0,0,0,0|1,1,0]=3 1610 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,1,0,0,0,0|1,1,0]=3 1611 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,1,0,0,0,0|1,1,0]=3 1612 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,1,0,0,0,0|1,1,0]=3 1613 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,1,0,0,0,0|1,1,0]=3 1614 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,1,0,0,0,0|1,1,0]=3 1615 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_100011943926_200000210301 [0,1,0,0,0,0|1,1,1]=4 1616 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_200000210301_100011943926 [0,1,0,0,0,0|1,1,1]=4 1617 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_100009887703_200000210301 [0,1,0,0,0,0|2,1,0]=4 1618 B12R1.453 CSc1ccc(c(n1)C(=O)C)F 62a_200000210301_100009887703 [0,1,0,0,0,0|2,1,0]=4 1619 B12R1.453 CSc1ccc(c(n1)C(=O)N)N 62a_100000093116_200000210301 [0,1,0,0,0,0|2,1,0]=4 1620 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_100138557192_200000210301 [0,1,0,0,0,0|2,1,0]=4 1621 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_200000210301_100138557192 [0,1,0,0,0,0|2,1,0]=4 1622 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_100010254234_200000210301 [0,1,0,0,0,0|2,1,0]=4 1623 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_200000210301_100010254234 [0,1,0,0,0,0|2,1,0]=4 1624 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_100010173950_200000210301 [0,1,0,0,0,0|2,1,0]=4 1625 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_200000210301_100010173950 [0,1,0,0,0,0|2,1,0]=4 1626 B12R1.453 CSc1cnc(c(c1)C(=O)N)N 62a_100000701294_200000210301 [0,1,0,0,0,0|2,1,0]=4 1627 B12R1.453 CSc1cnc(c(c1)C(=O)N)N 62a_200000210301_100000701294 [0,1,0,0,0,0|2,1,0]=4 1628 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_100010223188_200025704644 [0,1,0,0,0,0|1,1,1]=4 1629 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_200025704644_100010223188 [0,1,0,0,0,0|1,1,1]=4 1630 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,1,0,0,0,0|1,1,0]=3 1633 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,1,0,0,0,0|1,1,0]=3 1634 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [0,1,0,0,0,0|2,0,1]=4 1637 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,1,0,0,0,0|1,0,1]=3 1638 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,1,0,0,0,0|1,0,1]=3 1639 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)C#N 1458a_100012361338_200025704644 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.453 [13CH3]C(=O)c1cc(ccc1Cl)C#N 1458a_100000729836_200025704644 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.453 [13CH3]C(=O)c1cc(ccc1F)C#N 1458a_100011218479_200025704644 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.453 [13CH3]C(=O)c1cc(ccc1I)C#N 1458a_200010191847_200025704644 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1647 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,1,0,0,0,0|2,0,0]=3 1648 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,1,0,0,0,0|2,0,0]=3 1649 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,1,0,0,0,0|2,0,0]=3 1650 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,1,0,0,0,0|2,0,0]=3 1651 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,1,0,0,0,0|2,0,0]=3 1652 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [0,1,0,0,0,0|2,0,1]=4 1653 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,1,0,0,0,0|1,0,1]=3 1654 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,1,0,0,0,0|1,0,1]=3 1655 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,1,0,0,0,0|1,0,1]=3 1656 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,1,0,0,0,0|1,0,1]=3 1657 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,1,0,0,0,0|1,0,1]=3 1658 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,1,0,0,0,0|1,0,1]=3 1659 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,1,0,0,0,0|1,0,1]=3 1660 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,1,0,0,0,0|1,0,1]=3 1661 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,1,0,0,0,0|1,0,1]=3 1662 B12R1.453 [13CH3]Sc1cc(c(cn1)F)C(=O)N 62a_100015943597_200025704644 [0,1,0,0,0,0|2,1,0]=4 1663 B12R1.453 [13CH3]Sc1cc(c(cn1)F)C(=O)N 62a_200025704644_100015943597 [0,1,0,0,0,0|2,1,0]=4 1664 B12R1.453 [13CH3]Sc1cc(c(cn1)N)C(=O)N 62a_100012003536_200025704644 [0,1,0,0,0,0|2,1,0]=4 1665 B12R1.453 [13CH3]Sc1cc(c(cn1)N)C(=O)N 62a_200025704644_100012003536 [0,1,0,0,0,0|2,1,0]=4 1666 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200010171685_200025704644 [0,1,0,0,0,0|1,1,1]=4 1667 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200025704644_200010171685 [0,1,0,0,0,0|1,1,1]=4 1668 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_100011356809_200025704644 [0,1,0,0,0,0|1,1,1]=4 1669 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_200025704644_100011356809 [0,1,0,0,0,0|1,1,1]=4 1670 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,1,0,0,0,0|1,1,0]=3 1671 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,1,0,0,0,0|1,1,0]=3 1672 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,1,0,0,0,0|1,1,0]=3 1673 B12R1.453 [13CH3]Sc1ccc(c(n1)C(=O)N)N 62a_100000093116_200025704644 [0,1,0,0,0,0|2,1,0]=4 1674 B12R1.453 [13CH3]Sc1cnc(c(c1)C(=O)N)N 62a_100000701294_200025704644 [0,1,0,0,0,0|2,1,0]=4 1675 B12R1.453 [13CH3]Sc1cnc(c(c1)C(=O)N)N 62a_200025704644_100000701294 [0,1,0,0,0,0|2,1,0]=4 1676 B12R2.43 COc1cccc(c1)C2CC2 271570a_100011220607_100000170001 [0,0,0,1,0,0|2,0,1]=4 1677 B12R2.43 COc1cccc(c1)C2CC2 34a_100011787725_200000210301 [0,0,0,1,0,0|2,0,1]=4 1678 B12R2.43 COc1cccc(c1)C2CC2 7a_100011787725_200000210301 [0,0,0,1,0,0|2,0,1]=4 1679 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 34a_100011787725_200025704644 [0,0,0,1,0,0|2,0,1]=4 1680 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 7a_100011787725_200025704644 [0,0,0,1,0,0|2,0,1]=4 1681 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,0|3,0,0]=4 1682 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|2,0,0]=3 1683 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|2,0,0]=3 1684 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,0,0,0,1,0|2,1,0]=4 1685 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,0,0,0,1,0|2,1,0]=4 1686 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,0,0,0,1,0|2,1,0]=4 1687 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,0,0,0,1,0|2,1,0]=4 1688 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,0,0,0,1,0|2,1,0]=4 1689 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,0,0,0,1,0|2,1,0]=4 1690 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,0,0,0,1,0|2,1,0]=4 1691 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,0,0,0,1,0|2,1,0]=4 1692 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,0,0,0,1,0|2,1,0]=4 1693 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,0,0,0,1,0|2,1,0]=4 1694 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,0,0,0,1,0|2,1,0]=4 1695 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,0,0,0,1,0|2,1,0]=4 1696 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,0,0,0,1,0|2,1,0]=4 1697 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,0,0,0,1,0|2,1,0]=4 1698 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,0,0,0,1,0|2,1,0]=4 1699 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,0,0,0,1,0|2,1,0]=4 1700 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,0,0,0,1,0|2,1,0]=4 1701 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,0,0,0,1,0|2,1,0]=4 1702 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,0,0,0,1,0|2,1,0]=4 1703 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,0,0,0,1,0|2,1,0]=4 1704 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,0,0,0,1,0|2,1,0]=4 1705 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,0,0,0,1,0|2,1,0]=4 1706 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,0,0,0,1,0|2,1,0]=4 1707 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,0,0,0,1,0|2,1,0]=4 1708 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,0,0,0,1,0|2,1,0]=4 1709 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,0,0,0,1,0|2,1,0]=4 1710 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,0,0,0,1,0|2,1,0]=4 1711 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,0,0,0,1,0|2,1,0]=4 1712 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,0,0,0,1,0|2,1,0]=4 1713 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,0,0,0,1,0|2,1,0]=4 1714 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,0,0,0,1,0|2,1,0]=4 1715 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,0,0,0,1,0|2,1,0]=4 1716 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,0,0,0,1,0|2,1,0]=4 1717 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,0,0,0,1,0|2,1,0]=4 1718 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,0,0,0,1,0|2,1,0]=4 1719 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,0,0,0,1,0|2,1,0]=4 1720 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,0,0,0,1,0|2,1,0]=4 1721 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,0,0,0,1,0|2,1,0]=4 1722 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,0,0,0,1,0|2,1,0]=4 1723 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,0,0,0,1,0|2,1,0]=4 1724 B12R1.438 C#Cc1cccc(c1)NC(=O)C 11a_100000735509_100015343762 [0,0,0,0,0,1|2,0,1]=4 1725 B12R1.438 C#Cc1cccc(c1)NC(=O)C 1626a_100000735509_100015343762 [0,0,0,0,0,1|2,0,1]=4 1726 B12R1.438 C#Cc1cccc(c1)NC(=O)C 22a_100000735509_100000070787 [0,0,0,0,0,1|2,0,1]=4 1727 B12R1.438 C#Cc1cccc(c1)NC(=O)C 527a_100000735509_100103153847 [0,0,0,0,0,1|2,0,1]=4 1728 B12R1.438 C=Cc1cccc(c1)CC(=O)C 271570a_100011290941_100000689217 [0,0,0,0,0,1|2,0,1]=4 1729 B12R1.438 C=Cc1cccc(c1)CC(=O)N 271570a_100011290941_100011586816 [0,0,0,0,0,1|2,0,1]=4 1730 B12R1.438 C=Cc1cccc(c1)NC(=O)C 11a_100011827668_100015343762 [0,0,0,0,0,1|2,0,1]=4 1731 B12R1.438 C=Cc1cccc(c1)NC(=O)C 1626a_100011827668_100015343762 [0,0,0,0,0,1|2,0,1]=4 1732 B12R1.438 C=Cc1cccc(c1)NC(=O)C 22a_100011827668_100000070787 [0,0,0,0,0,1|2,0,1]=4 1733 B12R1.438 C=Cc1cccc(c1)NC(=O)C 271570a_100011290941_100000153616 [0,0,0,0,0,1|2,0,1]=4 1734 B12R1.438 C=Cc1cccc(c1)NC(=O)C 527a_100011827668_100103153847 [0,0,0,0,0,1|2,0,1]=4 1735 B12R1.438 C=Cc1cccc(c1)NC(=O)N 271570a_100011290941_100000238923 [0,0,0,0,0,1|2,0,1]=4 1736 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,0,0,0,0,1|2,0,1]=4 1737 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000070787_100000233786 [0,0,0,0,0,1|3,0,0]=4 1738 B12R1.438 CC(=O)Cc1cccc(c1)C#N 1458a_100000684415_200000210301 [0,0,0,0,0,1|3,0,0]=4 1739 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [0,0,0,0,0,1|3,0,0]=4 1740 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,0,0,0,0,1|3,0,0]=4 1741 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,0,0,0,0,1|1,1,0]=3 1742 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,0,0,0,0,1|1,1,0]=3 1743 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,0,0,0,0,1|2,1,0]=4 1744 B12R1.438 CC(=O)Nc1cccc(c1)C#N 11a_100000210922_100015343762 [0,0,0,0,0,1|3,0,0]=4 1745 B12R1.438 CC(=O)Nc1cccc(c1)C#N 1626a_100000210922_100015343762 [0,0,0,0,0,1|3,0,0]=4 1746 B12R1.438 CC(=O)Nc1cccc(c1)C#N 22a_100000210922_100000070787 [0,0,0,0,0,1|3,0,0]=4 1747 B12R1.438 CC(=O)Nc1cccc(c1)C#N 527a_100000210922_100103153847 [0,0,0,0,0,1|3,0,0]=4 1748 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,0,0,0,0,1|3,0,0]=4 1749 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,0,0,0,0,1|3,0,0]=4 1750 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,0,0,0,0,1|3,0,0]=4 1751 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,0,0,0,0,1|3,0,0]=4 1752 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,0,0,0,0,1|3,0,0]=4 1753 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,0,0,0,0,1|2,0,0]=3 1754 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,0,0,0,0,1|1,0,0]=2 1755 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,0,0,0,0,1|1,0,0]=2 1756 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,0,0,0,0,1|1,1,0]=3 1757 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,0,0,0,0,1|2,1,0]=4 1758 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,0,0,0,0,1|2,1,0]=4 1759 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [0,0,0,0,0,1|2,1,0]=4 1760 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,0,0,0,0,1|1,0,0]=2 1761 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,0,0,0,0,1|1,1,0]=3 1762 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [0,0,0,0,0,1|2,0,1]=4 1763 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [0,0,0,0,0,1|2,0,1]=4 1764 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [0,0,0,0,0,1|3,0,0]=4 1765 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,0,0,0,0,1|2,0,0]=3 1766 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,0,0,0,0,1|2,0,0]=3 1767 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,0,0,0,0,1|2,0,0]=3 1768 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,0,0,0,0,1|2,0,0]=3 1769 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [0,0,0,0,0,1|3,0,0]=4 1770 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,0,0,0,0,1|2,0,0]=3 1771 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,0,0,0,0,1|2,0,0]=3 1772 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,0,0,0,0,1|2,0,0]=3 1773 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,0,0,0,0,1|2,0,0]=3 1774 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [0,0,0,0,0,1|3,0,0]=4 1775 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,0,0,0,0,1|2,0,0]=3 1776 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,0,0,0,0,1|2,0,0]=3 1777 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,0,0,0,0,1|2,0,0]=3 1778 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,0,0,0,0,1|2,0,0]=3 1779 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,0,0,0,0,1|1,0,0]=2 1780 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,0,0,0,0,1|1,0,0]=2 1781 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,0,0,0,0,1|1,0,0]=2 1782 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,0,0,0,0,1|1,0,0]=2 1783 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,0,0,0,0,1|1,0,0]=2 1784 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [0,0,0,0,0,1|3,0,0]=4 1785 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [0,0,0,0,0,1|3,0,0]=4 1786 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [0,0,0,0,0,1|3,0,0]=4 1787 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [0,0,0,0,0,1|3,0,0]=4 1788 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [0,0,0,0,0,1|3,0,0]=4 1789 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [0,0,0,0,0,1|3,0,0]=4 1790 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [0,0,0,0,0,1|3,0,0]=4 1791 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,0,0,0,0,1|1,0,0]=2 1792 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,0,0,0,0,1|1,0,0]=2 1793 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,0,0,0,0,1|1,0,0]=2 1794 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,0,0,0,0,1|1,0,0]=2 1795 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,0,0,0,0,1|1,0,0]=2 1796 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,0,0,0,0,1|1,0,0]=2 1797 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,0,0,0,0,1|1,0,0]=2 1798 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,0,0,0,0,1|1,0,0]=2 1799 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [0,0,0,0,0,1|1,1,0]=3 1800 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [0,0,0,0,0,1|2,0,1]=4 1801 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,0,0,0,0,1|1,0,0]=2 1802 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [0,0,0,0,0,1|2,0,1]=4 1803 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [0,0,0,0,0,1|2,0,1]=4 1804 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [0,0,0,0,0,1|2,0,1]=4 1805 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [0,0,0,0,0,1|2,0,1]=4 1806 B12R1.438 COc1cccc(c1)OC(F)F 34a_100000703596_200000210301 [0,0,0,0,0,1|2,0,1]=4 1807 B12R1.438 COc1cccc(c1)OC(F)F 7a_100000703596_200000210301 [0,0,0,0,0,1|2,0,1]=4 1808 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [0,0,0,0,0,1|2,0,1]=4 1809 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [0,0,0,0,0,1|3,0,0]=4 1810 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,0,0,0,0,1|2,0,0]=3 1811 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [0,0,0,0,0,1|3,0,0]=4 1812 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,0,0,0,0,1|2,0,0]=3 1813 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,0,0,0,0,1|2,1,0]=4 1815 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [0,0,0,0,0,1|2,1,0]=4 1816 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,0,0,0,0,1|1,1,0]=3 1817 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,0,0,0,0,1|1,1,0]=3 1818 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,0,0,0,0,1|1,1,0]=3 1819 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,0,0,0,0,1|1,1,0]=3 1820 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,0,0,0,0,1|1,1,0]=3 1821 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,0,0,0,0,1|1,1,0]=3 1822 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,0,0,0,0,1|1,1,0]=3 1823 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,0,0,0,0,1|1,1,0]=3 1824 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,0,0,0,0,1|1,1,0]=3 1825 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,0,0,0,0,1|1,1,0]=3 1826 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,0,0,0,0,1|1,1,0]=3 1827 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,0,0,0,0,1|1,1,0]=3 1828 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,0,0,0,0,1|1,1,0]=3 1829 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,0,0,0,0,1|2,1,0]=4 1830 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,0,0,0,0,1|2,1,0]=4 1831 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [0,0,0,0,0,1|2,1,0]=4 1832 B12R1.438 [13CH3]C(=O)Cc1cccc(c1)C#N 1458a_100000684415_200025704644 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,0,0,0,0,1|2,0,0]=3 1834 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,0,0,0,0,1|2,0,0]=3 1835 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,0,0,0,0,1|2,0,0]=3 1836 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,0,0,0,0,1|1,0,0]=2 1837 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,0,0,0,0,1|1,0,0]=2 1838 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,0,0,0,0,1|1,0,0]=2 1839 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,0,0,0,0,1|1,0,0]=2 1840 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [0,0,0,0,0,1|1,1,0]=3 1841 B12R1.438 [13CH3]Oc1cccc(c1)OC(F)F 34a_100000703596_200025704644 [0,0,0,0,0,1|2,0,1]=4 1842 B12R1.438 [13CH3]Oc1cccc(c1)OC(F)F 7a_100000703596_200025704644 [0,0,0,0,0,1|2,0,1]=4 1843 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,0,0,0,0,1|1,1,0]=3 1844 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,0,0,0,0,1|1,1,0]=3 1845 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,0,0,0,0,1|1,1,0]=3 1846 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [2,0,0,0,0,0|2,0,0]=4 1847 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,0,0,0,0,0|2,0,0]=4 1848 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [2,0,0,0,0,0|2,0,0]=4 1849 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|2,0,0]=4 1850 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|1,0,0]=3 1851 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|2,0,0]=4 1852 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|2,0,0]=4 1853 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|2,0,0]=4 1854 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,0]=3 1855 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|1,1,0]=4 1856 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [2,0,0,0,0,0|2,0,0]=4 1857 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [2,0,0,0,0,0|2,0,0]=4 1858 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [2,0,0,0,0,0|2,0,0]=4 1859 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,0,0,0,0,0|2,0,0]=4 1860 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [2,0,0,0,0,0|2,0,0]=4 1861 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,0]=3 1862 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [2,0,0,0,0,0|2,0,0]=4 1863 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [2,0,0,0,0,0|2,0,0]=4 1864 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [2,0,0,0,0,0|2,0,0]=4 1865 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [2,0,0,0,0,0|2,0,0]=4 1866 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [2,0,0,0,0,0|2,0,0]=4 1867 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [2,0,0,0,0,0|2,0,0]=4 1868 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 1869 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 1870 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [2,0,0,0,0,0|2,0,0]=4 1871 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [2,0,0,0,0,0|2,0,0]=4 1872 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [2,0,0,0,0,0|2,0,0]=4 1873 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|1,0,0]=3 1874 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 1875 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [2,0,0,0,0,0|2,0,0]=4 1876 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [2,0,0,0,0,0|2,0,0]=4 1877 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [2,0,0,0,0,0|2,0,0]=4 1878 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [2,0,0,0,0,0|1,0,0]=3 1879 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [2,0,0,0,0,0|2,0,0]=4 1880 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [2,0,0,0,0,0|1,0,0]=3 1881 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1882 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [2,0,0,0,0,0|1,0,1]=4 1883 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [2,0,0,0,0,0|1,0,0]=3 1884 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 1885 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [2,0,0,0,0,0|1,0,0]=3 1886 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 1887 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|0,0,1]=3 1888 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 1889 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [2,0,0,0,0,0|1,0,0]=3 1890 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 1891 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [2,0,0,0,0,0|1,0,0]=3 1892 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 1893 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [2,0,0,0,0,0|1,0,0]=3 1894 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [2,0,0,0,0,0|1,0,0]=3 1895 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|0,0,0]=2 1896 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [2,0,0,0,0,0|2,0,0]=4 1897 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [2,0,0,0,0,0|1,0,0]=3 1898 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [2,0,0,0,0,0|1,0,1]=4 1899 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [2,0,0,0,0,0|2,0,0]=4 1900 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [2,0,0,0,0,0|2,0,0]=4 1901 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [2,0,0,0,0,0|2,0,0]=4 1902 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [2,0,0,0,0,0|1,0,0]=3 1903 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [2,0,0,0,0,0|2,0,0]=4 1904 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 1905 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [2,0,0,0,0,0|2,0,0]=4 1906 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 1907 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [2,0,0,0,0,0|1,0,1]=4 1908 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [2,0,0,0,0,0|2,0,0]=4 1909 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 1910 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [2,0,0,0,0,0|2,0,0]=4 1911 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1912 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [2,0,0,0,0,0|1,0,0]=3 1913 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [2,0,0,0,0,0|2,0,0]=4 1914 B9R1.2 COc1cnnc(c1)O 271570a_203496583355_100000087634 [2,0,0,0,0,0|2,0,0]=4 1915 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [2,0,0,0,0,0|2,0,0]=4 1916 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [2,0,0,0,0,0|1,1,0]=4 1917 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [2,0,0,0,0,0|1,1,0]=4 1918 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [2,0,0,0,0,0|1,1,0]=4 1919 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [2,0,0,0,0,0|1,1,0]=4 1920 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [2,0,0,0,0,0|1,1,0]=4 1921 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [2,0,0,0,0,0|1,1,0]=4 1922 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [2,0,0,0,0,0|1,1,0]=4 1923 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|0,1,1]=4 1924 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|0,1,1]=4 1925 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [2,0,0,0,0,0|1,1,0]=4 1926 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [2,0,0,0,0,0|1,1,0]=4 1927 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [2,0,0,0,0,0|1,1,0]=4 1928 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [2,0,0,0,0,0|1,1,0]=4 1929 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [2,0,0,0,0,0|1,1,0]=4 1930 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [2,0,0,0,0,0|1,1,0]=4 1931 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|0,1,0]=3 1932 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|0,1,0]=3 1933 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [2,0,0,0,0,0|0,2,0]=4 1934 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [2,0,0,0,0,0|0,2,0]=4 1935 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [2,0,0,0,0,0|1,1,0]=4 1936 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [2,0,0,0,0,0|1,1,0]=4 1937 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [2,0,0,0,0,0|1,1,0]=4 1938 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [2,0,0,0,0,0|1,1,0]=4 1939 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [2,0,0,0,0,0|1,1,0]=4 1940 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [2,0,0,0,0,0|1,0,1]=4 1941 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 1942 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 1943 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 1944 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|0,0,1]=3 1945 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|0,1,1]=4 1946 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|0,1,1]=4 1947 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 1948 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [2,0,0,0,0,0|1,0,1]=4 1949 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|1,0,1]=4 1950 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|1,0,1]=4 1951 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 1952 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|1,0,0]=3 1953 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|0,0,0]=2 1954 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|1,0,0]=3 1955 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|1,0,0]=3 1956 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|1,0,0]=3 1957 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [2,0,0,0,0,0|1,0,1]=4 1958 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|0,0,1]=3 1959 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [2,0,0,0,0,0|1,0,1]=4 1960 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [2,0,0,0,0,0|1,0,1]=4 1961 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [2,0,0,0,0,0|1,0,1]=4 1962 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,1]=4 1963 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [2,0,0,0,0,0|2,0,0]=4 1964 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [2,0,0,0,0,0|2,0,0]=4 1965 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [2,0,0,0,0,0|2,0,0]=4 1966 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [2,0,0,0,0,0|2,0,0]=4 1967 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 1968 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [2,0,0,0,0,0|1,0,0]=3 1969 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1970 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [2,0,0,0,0,0|1,0,1]=4 1971 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [2,0,0,0,0,0|1,0,0]=3 1972 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 1973 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [2,0,0,0,0,0|1,0,0]=3 1974 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 1975 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [2,0,0,0,0,0|1,0,0]=3 1976 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 1977 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [2,0,0,0,0,0|1,0,0]=3 1978 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 1979 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [2,0,0,0,0,0|1,0,0]=3 1980 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [2,0,0,0,0,0|1,0,0]=3 1981 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [2,0,0,0,0,0|2,0,0]=4 1982 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [2,0,0,0,0,0|2,0,0]=4 1983 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [2,0,0,0,0,0|2,0,0]=4 1984 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [2,0,0,0,0,0|2,0,0]=4 1985 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 1986 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [2,0,0,0,0,0|2,0,0]=4 1987 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [2,0,0,0,0,0|2,0,0]=4 1988 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 1989 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [2,0,0,0,0,0|2,0,0]=4 1990 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1991 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [2,0,0,0,0,0|1,1,0]=4 1992 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [2,0,0,0,0,0|1,1,0]=4 1993 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [2,0,0,0,0,0|1,1,0]=4 1994 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [2,0,0,0,0,0|1,1,0]=4 1995 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [2,0,0,0,0,0|1,1,0]=4 1996 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [2,0,0,0,0,0|1,1,0]=4 1997 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [2,0,0,0,0,0|1,1,0]=4 1998 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [2,0,0,0,0,0|1,1,0]=4 1999 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [2,0,0,0,0,0|1,1,0]=4 2000 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [2,0,0,0,0,0|1,1,0]=4 2001 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [2,0,0,0,0,0|1,1,0]=4 2002 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [2,0,0,0,0,0|1,1,0]=4 2003 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [2,0,0,0,0,0|1,1,0]=4 2004 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|0,1,0]=3 2005 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [2,0,0,0,0,0|0,2,0]=4 2006 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [2,0,0,0,0,0|0,2,0]=4 2007 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [2,0,0,0,0,0|1,1,0]=4 2008 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [2,0,0,0,0,0|1,1,0]=4 2009 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 2010 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 2011 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 2012 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|1,0,0]=3 2033 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,0]=3 2034 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|1,0,0]=3 2035 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|1,0,0]=3 2036 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|1,0,0]=3 2037 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,0]=3 2038 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,0]=3 2039 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,0]=3 2060 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,0]=3 2061 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,0]=3 2062 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,0]=3 2063 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,0]=3 2064 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,0]=3 2065 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,0]=3 2066 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,0]=3 2067 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 2068 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,0]=3 2069 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,0]=3 2070 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|1,0,1]=4 2073 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|1,0,0]=3 2074 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|1,0,0]=3 2075 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|1,0,0]=3 2076 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|1,0,0]=3 2077 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|1,0,1]=4 2078 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 2079 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,0]=3 2080 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,0]=3 2082 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [1,1,0,0,0,0|1,0,1]=4 2086 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,0]=3 2087 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,0]=3 2088 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|1,0,0]=3 2091 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|1,0,0]=3 2092 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [1,1,0,0,0,0|1,0,1]=4 2093 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,0]=3 2114 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,0]=3 2115 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,0]=3 2116 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,0]=3 2117 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,0]=3 2118 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|1,0,0]=3 2121 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|1,0,0]=3 2125 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|1,0,0]=3 2126 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,1]=4 2128 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,0]=3 2134 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 2135 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 2136 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 2137 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 2150 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,0]=3 2151 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 2152 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|1,0,0]=3 2156 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|0,0,0]=2 2158 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|1,0,0]=3 2159 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|1,0,0]=3 2160 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|1,0,0]=3 2162 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|1,0,1]=4 2165 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|1,0,1]=4 2166 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|1,0,0]=3 2167 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|1,0,1]=4 2168 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|1,0,1]=4 2169 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|1,0,0]=3 2170 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|1,0,1]=4 2171 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,0]=3 2172 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|1,0,0]=3 2174 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|2,0,0]=4 2179 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|2,0,0]=4 2180 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,0]=3 2182 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|0,0,1]=3 2183 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [1,1,0,0,0,0|2,0,0]=4 2184 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [1,1,0,0,0,0|2,0,0]=4 2185 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [1,1,0,0,0,0|2,0,0]=4 2186 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [1,1,0,0,0,0|2,0,0]=4 2187 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [1,1,0,0,0,0|2,0,0]=4 2189 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [1,1,0,0,0,0|1,0,0]=3 2194 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [1,1,0,0,0,0|1,0,0]=3 2197 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [1,1,0,0,0,0|1,0,0]=3 2198 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [1,1,0,0,0,0|1,0,0]=3 2199 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [1,1,0,0,0,0|1,0,0]=3 2200 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2202 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [1,1,0,0,0,0|1,0,0]=3 2203 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [1,1,0,0,0,0|1,0,0]=3 2204 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [1,1,0,0,0,0|1,0,0]=3 2206 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [1,1,0,0,0,0|1,0,0]=3 2207 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [1,1,0,0,0,0|1,0,0]=3 2209 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2212 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|1,0,0]=3 2213 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|1,0,0]=3 2214 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [1,1,0,0,0,0|1,0,1]=4 2216 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|1,0,0]=3 2217 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [1,1,0,0,0,0|1,0,0]=3 2218 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [1,1,0,0,0,0|1,0,0]=3 2219 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [1,1,0,0,0,0|1,0,0]=3 2220 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [1,1,0,0,0,0|1,0,0]=3 2221 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [1,1,0,0,0,0|1,0,0]=3 2222 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|1,0,0]=3 2223 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [1,1,0,0,0,0|1,0,0]=3 2224 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [1,1,0,0,0,0|1,0,0]=3 2225 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [1,1,0,0,0,0|1,0,1]=4 2226 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [1,1,0,0,0,0|1,0,1]=4 2227 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [1,1,0,0,0,0|1,0,0]=3 2231 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2233 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [1,1,0,0,0,0|1,0,0]=3 2234 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2235 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [1,1,0,0,0,0|1,0,0]=3 2236 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2237 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [1,1,0,0,0,0|1,0,1]=4 2241 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [1,1,0,0,0,0|1,0,1]=4 2242 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [1,1,0,0,0,0|1,0,1]=4 2243 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [1,1,0,0,0,0|2,0,0]=4 2244 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [1,1,0,0,0,0|2,0,0]=4 2245 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [1,1,0,0,0,0|2,0,0]=4 2246 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [1,1,0,0,0,0|2,0,0]=4 2249 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [1,1,0,0,0,0|2,0,0]=4 2250 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [1,1,0,0,0,0|2,0,0]=4 2254 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,1,0,0,0,0|1,0,0]=3 2256 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2257 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,1,0,0,0,0|2,0,0]=4 2258 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,1,0,0,0,0|2,0,0]=4 2259 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|1,0,0]=3 2262 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|1,0,0]=3 2266 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|1,0,0]=3 2267 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,1,0,0,0,0|1,0,0]=3 2269 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2273 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,1,0,0,0,0|1,0,0]=3 2275 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|1,0,0]=3 2279 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|1,0,0]=3 2280 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,1,0,0,0,0|1,0,0]=3 2282 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|1,0,0]=3 2287 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2291 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|1,0,0]=3 2292 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [1,1,0,0,0,0|2,0,0]=4 2294 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [1,1,0,0,0,0|1,0,1]=4 2296 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|1,0,0]=3 2297 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|1,0,0]=3 2302 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,1,0,0,0,0|1,0,0]=3 2303 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|1,0,0]=3 2304 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,1,0,0,0,0|1,0,0]=3 2305 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,1,0,0,0,0|1,0,0]=3 2306 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,1,0,0,0,0|1,0,0]=3 2307 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|1,0,0]=3 2308 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|1,0,0]=3 2309 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|1,0,0]=3 2310 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|1,0,0]=3 2311 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2315 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2316 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,1,0,0,0,0|2,0,0]=4 2317 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2319 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2323 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2324 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|1,0,0]=3 2329 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2333 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2337 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|1,0,0]=3 2351 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|1,0,0]=3 2355 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|1,0,0]=3 2357 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|1,0,0]=3 2361 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|1,0,0]=3 2362 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|1,0,0]=3 2364 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|1,0,0]=3 2368 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|1,0,0]=3 2369 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|1,0,0]=3 2371 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|1,0,0]=3 2375 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|1,0,0]=3 2376 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|1,0,0]=3 2378 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|1,0,0]=3 2382 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|1,0,0]=3 2383 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|1,0,0]=3 2386 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|1,0,0]=3 2387 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 2393 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 2394 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [1,1,0,0,0,0|2,0,0]=4 2397 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [1,1,0,0,0,0|1,0,1]=4 2401 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|1,0,0]=3 2402 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|1,0,0]=3 2403 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|1,0,0]=3 2404 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|1,0,0]=3 2405 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|1,0,0]=3 2406 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|1,0,0]=3 2407 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|1,0,0]=3 2408 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [1,1,0,0,0,0|1,0,1]=4 2409 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|1,0,0]=3 2410 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|1,0,0]=3 2415 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|1,0,0]=3 2416 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|1,0,0]=3 2417 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [1,1,0,0,0,0|2,0,0]=4 2418 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [1,1,0,0,0,0|2,0,0]=4 2419 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [1,1,0,0,0,0|2,0,0]=4 2420 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|1,0,0]=3 2421 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [1,1,0,0,0,0|2,0,0]=4 2422 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [1,1,0,0,0,0|2,0,0]=4 2423 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [1,1,0,0,0,0|2,0,0]=4 2424 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [1,1,0,0,0,0|2,0,0]=4 2425 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [1,1,0,0,0,0|1,0,1]=4 2428 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|1,0,0]=3 2433 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|1,0,0]=3 2438 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2440 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|1,0,0]=3 2443 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|1,0,0]=3 2448 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 2453 B11R1.9 C=Cc1cc(cc(c1)C=O)Br 271570a_100011290941_100010185649 [1,1,0,0,0,0|1,0,1]=4 2454 B11R1.9 C=Cc1cc(cc(c1)C=O)C 271570a_100011290941_100000686105 [1,1,0,0,0,0|1,0,1]=4 2455 B11R1.9 C=Cc1cc(cc(c1)C=O)F 271570a_100011290941_100011794424 [1,1,0,0,0,0|1,0,1]=4 2456 B11R1.9 C=Cc1cc(cc(c1)C=O)O 271570a_100011290941_100010176088 [1,1,0,0,0,0|1,0,1]=4 2457 B11R1.9 C=Cc1cc(cc(c1)CC)N 271570a_100011290941_100010074814 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.9 C=Cc1cc(cc(c1)NC)F 271570a_100011290941_106741647397 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [1,1,0,0,0,0|1,0,0]=3 2460 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [1,1,0,0,0,0|1,0,0]=3 2461 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [1,1,0,0,0,0|1,0,0]=3 2462 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [1,1,0,0,0,0|1,0,0]=3 2463 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [1,1,0,0,0,0|1,0,0]=3 2464 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [1,1,0,0,0,0|1,0,0]=3 2465 B11R1.9 C=Cc1cc(cc(c1)SC)C 271570a_100011290941_200010709730 [1,1,0,0,0,0|1,1,0]=4 2466 B11R1.9 C=Cc1cc(cc(c1)SC)F 271570a_100011290941_200010245467 [1,1,0,0,0,0|1,1,0]=4 2467 B11R1.9 C=Cc1cc(cc(n1)C)OC 271570a_100011290941_200009849800 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.9 C=Cc1cc(cc(n1)N)OC 271570a_100011290941_100010257270 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.9 C=Cc1cc(cc(n1)OC)C 271570a_100011290941_100009856763 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.9 C=Cc1cc(cc(n1)OC)N 271570a_100011290941_100012187057 [1,1,0,0,0,0|2,0,0]=4 2471 B11R1.9 C=Cc1cc(nc(c1)OC)C 271570a_100011290941_100010067692 [1,1,0,0,0,0|2,0,0]=4 2472 B11R1.9 C=Cc1cc(nc(c1)OC)N 271570a_100011290941_100010136845 [1,1,0,0,0,0|2,0,0]=4 2473 B11R1.9 CNc1cc(cc(c1)CO)Cl 2230a_100012002482_200000210301 [1,1,0,0,0,0|1,0,1]=4 2474 B11R1.9 CNc1cc(cc(c1)CO)Cl 34a_100012002482_200000210301 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.9 CNc1cc(cc(c1)CO)O 2230a_200000124675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B11R1.9 CNc1cc(cc(c1)CO)O 34a_200000124675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [1,1,0,0,0,0|2,0,0]=4 2485 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 2486 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [1,1,0,0,0,0|2,0,0]=4 2488 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.9 COc1cc(cc(c1)C#N)Br 34a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2490 B11R1.9 COc1cc(cc(c1)C#N)Br 7a_100012180112_200000210301 [1,1,0,0,0,0|1,0,1]=4 2491 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 2492 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [1,1,0,0,0,0|1,0,1]=4 2493 B11R1.9 COc1cc(cc(c1)C#N)Cl 34a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 2494 B11R1.9 COc1cc(cc(c1)C#N)Cl 7a_100000724442_200000210301 [1,1,0,0,0,0|1,0,1]=4 2495 B11R1.9 COc1cc(cc(c1)C#N)F 34a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 2496 B11R1.9 COc1cc(cc(c1)C#N)F 7a_100000732150_200000210301 [1,1,0,0,0,0|1,0,1]=4 2497 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [1,1,0,0,0,0|1,0,1]=4 2498 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [1,1,0,0,0,0|0,0,0]=2 2499 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [1,1,0,0,0,0|1,0,1]=4 2500 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [1,1,0,0,0,0|1,0,1]=4 2501 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [1,1,0,0,0,0|0,0,1]=3 2502 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [1,1,0,0,0,0|0,0,1]=3 2503 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [1,1,0,0,0,0|2,0,0]=4 2511 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 2513 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 2516 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [1,1,0,0,0,0|2,0,0]=4 2517 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2519 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 2520 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [1,1,0,0,0,0|2,0,0]=4 2521 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2522 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2523 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 2524 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [1,1,0,0,0,0|2,0,0]=4 2525 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [1,1,0,0,0,0|2,0,0]=4 2526 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 2527 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [1,1,0,0,0,0|2,0,0]=4 2528 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2529 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2530 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 2531 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [1,1,0,0,0,0|2,0,0]=4 2532 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2533 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [1,1,0,0,0,0|2,0,0]=4 2536 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2537 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [1,1,0,0,0,0|2,0,0]=4 2538 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [1,1,0,0,0,0|2,0,0]=4 2539 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [1,1,0,0,0,0|2,0,0]=4 2541 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [1,1,0,0,0,0|2,0,0]=4 2542 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [1,1,0,0,0,0|2,0,0]=4 2543 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [1,1,0,0,0,0|2,0,0]=4 2544 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2548 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [1,1,0,0,0,0|2,0,0]=4 2549 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.9 COc1cc(cc(n1)O)CO 271570a_203496583355_200000090696 [1,1,0,0,0,0|1,0,1]=4 2558 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [1,1,0,0,0,0|1,0,0]=3 2559 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [1,1,0,0,0,0|0,1,0]=3 2560 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [1,1,0,0,0,0|0,1,0]=3 2561 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [1,1,0,0,0,0|0,1,0]=3 2562 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [1,1,0,0,0,0|0,1,0]=3 2563 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [1,1,0,0,0,0|0,1,0]=3 2564 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [1,1,0,0,0,0|0,1,0]=3 2565 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [1,1,0,0,0,0|0,1,0]=3 2566 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [1,1,0,0,0,0|0,1,0]=3 2567 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_100009814756_200000210301 [1,1,0,0,0,0|0,1,1]=4 2568 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_200000210301_100009814756 [1,1,0,0,0,0|0,1,1]=4 2569 B11R1.9 CSc1cc(cc(c1)CO)C 62a_100000720511_200000210301 [1,1,0,0,0,0|0,1,1]=4 2570 B11R1.9 CSc1cc(cc(c1)CO)C 62a_200000210301_100000720511 [1,1,0,0,0,0|0,1,1]=4 2571 B11R1.9 CSc1cc(cc(c1)CO)F 62a_100000766897_200000210301 [1,1,0,0,0,0|0,1,1]=4 2572 B11R1.9 CSc1cc(cc(c1)CO)F 62a_200000210301_100000766897 [1,1,0,0,0,0|0,1,1]=4 2573 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_100009814795_200000210301 [1,1,0,0,0,0|1,1,0]=4 2574 B11R1.9 CSc1cc(nc(c1)C=O)C 62a_200000210301_100009814795 [1,1,0,0,0,0|1,1,0]=4 2575 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 2576 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [1,1,0,0,0,0|1,0,1]=4 2577 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [1,1,0,0,0,0|0,1,0]=3 2578 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [1,1,0,0,0,0|0,1,0]=3 2579 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_100000720511_200025704644 [1,1,0,0,0,0|0,1,1]=4 2580 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100000720511 [1,1,0,0,0,0|0,1,1]=4 2581 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_100009814795_200025704644 [1,1,0,0,0,0|1,1,0]=4 2582 B11R1.9 Cc1cc(cc(n1)C=O)S[13CH3] 62a_200025704644_100009814795 [1,1,0,0,0,0|1,1,0]=4 2583 B11R1.9 N#Cc1cc(cc(c1)C=O)O 271570a_203496583355_100009814813 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.9 O=Cc1cc(cc(c1)C=O)O 271570a_203496583355_100010197295 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 2230a_100012002482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2586 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 34a_100012002482_200025704644 [1,1,0,0,0,0|1,0,1]=4 2587 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 2230a_200000124675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2588 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 34a_200000124675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2589 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 34a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2590 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 7a_100012180112_200025704644 [1,1,0,0,0,0|1,0,1]=4 2591 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 34a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 2592 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 7a_100000724442_200025704644 [1,1,0,0,0,0|1,0,1]=4 2593 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 34a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 2594 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 7a_100000732150_200025704644 [1,1,0,0,0,0|1,0,1]=4 2595 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [1,1,0,0,0,0|1,0,1]=4 2596 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [1,1,0,0,0,0|1,0,1]=4 2597 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [1,1,0,0,0,0|0,0,1]=3 2598 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [1,1,0,0,0,0|0,1,0]=3 2599 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [1,1,0,0,0,0|0,1,0]=3 2600 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [1,1,0,0,0,0|0,1,0]=3 2601 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [1,1,0,0,0,0|0,1,0]=3 2602 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [1,1,0,0,0,0|0,1,0]=3 2603 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [1,1,0,0,0,0|0,1,0]=3 2604 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_100009814756_200025704644 [1,1,0,0,0,0|0,1,1]=4 2605 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_200025704644_100009814756 [1,1,0,0,0,0|0,1,1]=4 2606 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_100000766897_200025704644 [1,1,0,0,0,0|0,1,1]=4 2607 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_200025704644_100000766897 [1,1,0,0,0,0|0,1,1]=4 2608 B11R1.189 C#Cc1cccc(c1)COC 34a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2609 B11R1.189 C#Cc1cccc(c1)COC 7a_100010272118_200000210301 [1,1,0,0,0,0|1,0,1]=4 2610 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 34a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2611 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 7a_100010272118_200025704644 [1,1,0,0,0,0|1,0,1]=4 2612 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 2613 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,1,0,0,0,0|1,0,1]=4 2614 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 2615 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,1,0,0,0,0|1,0,1]=4 2616 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,1,0,0,0,0|2,0,0]=4 2617 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [1,1,0,0,0,0|1,0,1]=4 2618 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,1,0,0,0,0|1,0,0]=3 2621 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,1,0,0,0,0|1,1,0]=4 2622 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,1,0,0,0,0|2,0,0]=4 2623 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,1,0,0,0,0|2,0,0]=4 2625 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,1,0,0,0,0|1,1,0]=4 2626 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,1,0,0,0,0|1,1,0]=4 2627 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,1,0,0,0,0|1,1,0]=4 2628 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,1,0,0,0,0|1,1,0]=4 2629 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [1,1,0,0,0,0|2,0,0]=4 2630 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [1,1,0,0,0,0|2,0,0]=4 2631 B11R1.189 C=Cc1cccc(c1)CC=O 271570a_100011290941_200000698211 [1,1,0,0,0,0|1,0,1]=4 2632 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,1,0,0,0,0|2,0,0]=4 2633 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,1,0,0,0,0|2,0,0]=4 2634 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,1,0,0,0,0|1,0,0]=3 2639 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,1,0,0,0,0|2,0,0]=4 2640 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,1,0,0,0,0|1,0,0]=3 2643 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,1,0,0,0,0|1,0,0]=3 2644 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,1,0,0,0,0|1,1,0]=4 2648 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,1,0,0,0,0|1,1,0]=4 2649 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,1,0,0,0,0|1,1,0]=4 2650 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,1,0,0,0,0|1,1,0]=4 2651 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,1,0,0,0,0|1,1,0]=4 2652 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.189 CC=Cc1cc(ccn1)C=O 271570a_100016259895_100011290808 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,1,0,0,0,0|1,0,0]=3 2658 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [1,1,0,0,0,0|1,0,1]=4 2660 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,1,0,0,0,0|1,0,0]=3 2662 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,1,0,0,0,0|1,1,0]=4 2663 B11R1.189 CC=Cc1cccc(n1)C=O 271570a_100016259895_100000688028 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,1,0,0,0,0|1,0,1]=4 2670 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,1,0,0,0,0|1,0,1]=4 2671 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,1,0,0,0,0|1,0,1]=4 2672 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,1,0,0,0,0|1,0,1]=4 2673 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [1,1,0,0,0,0|1,0,1]=4 2674 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [1,1,0,0,0,0|1,0,1]=4 2675 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,1,0,0,0,0|1,0,1]=4 2676 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2677 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,1,0,0,0,0|1,0,1]=4 2678 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2679 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,1,0,0,0,0|1,0,1]=4 2680 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 2681 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,1,0,0,0,0|1,0,1]=4 2682 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 2683 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,1,0,0,0,0|1,0,1]=4 2684 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,1,0,0,0,0|1,0,1]=4 2685 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,1,0,0,0,0|1,0,1]=4 2686 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 2687 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,1,0,0,0,0|1,0,1]=4 2688 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,1]=4 2689 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,1,0,0,0,0|0,0,1]=3 2690 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,1,0,0,0,0|0,0,1]=3 2691 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,1,0,0,0,0|1,0,1]=4 2698 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,1,0,0,0,0|1,0,1]=4 2699 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,1,0,0,0,0|1,0,1]=4 2700 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,1,0,0,0,0|1,0,1]=4 2701 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,1,0,0,0,0|1,0,1]=4 2702 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,1,0,0,0,0|1,0,1]=4 2703 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,1,0,0,0,0|2,0,0]=4 2705 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2706 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,1,0,0,0,0|2,0,0]=4 2707 B11R1.189 CCSc1cc(ccn1)C=O 62a_100000210202_100011290808 [1,1,0,0,0,0|1,1,0]=4 2708 B11R1.189 CCSc1cc(ccn1)C=O 62a_100011290808_100000210202 [1,1,0,0,0,0|1,1,0]=4 2709 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [1,1,0,0,0,0|0,1,0]=3 2710 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [1,1,0,0,0,0|0,1,0]=3 2711 B11R1.189 CCSc1cccc(c1)CO 62a_100000210202_100000687537 [1,1,0,0,0,0|0,1,1]=4 2712 B11R1.189 CCSc1cccc(c1)CO 62a_100000687537_100000210202 [1,1,0,0,0,0|0,1,1]=4 2713 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,1,0,0,0,0|1,0,1]=4 2714 B11R1.189 CCSc1cccc(n1)C=O 62a_100000210202_100000688028 [1,1,0,0,0,0|1,1,0]=4 2715 B11R1.189 CCSc1cccc(n1)C=O 62a_100000688028_100000210202 [1,1,0,0,0,0|1,1,0]=4 2716 B11R1.189 CCSc1ccnc(c1)C=O 62a_100000210202_100011998288 [1,1,0,0,0,0|1,1,0]=4 2717 B11R1.189 CCSc1ccnc(c1)C=O 62a_100011998288_100000210202 [1,1,0,0,0,0|1,1,0]=4 2718 B11R1.189 CCSc1cncc(c1)C=O 62a_100000210202_100000687066 [1,1,0,0,0,0|1,1,0]=4 2719 B11R1.189 CCSc1cncc(c1)C=O 62a_100000687066_100000210202 [1,1,0,0,0,0|1,1,0]=4 2720 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [1,1,0,0,0,0|1,0,0]=3 2723 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [1,1,0,0,0,0|1,0,0]=3 2724 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [1,1,0,0,0,0|1,0,0]=3 2725 B11R1.189 CNCc1cccc(c1)CO 207a_100102657272_200000050894 [1,1,0,0,0,0|1,0,1]=4 2726 B11R1.189 CNCc1cccc(c1)CO 2230a_100011269909_200000210301 [1,1,0,0,0,0|1,0,1]=4 2727 B11R1.189 CNCc1cccc(c1)CO 2230a_106832991635_100010188025 [1,1,0,0,0,0|1,0,1]=4 2728 B11R1.189 CNCc1cccc(c1)CO 26a_100102657272_100011214949 [1,1,0,0,0,0|1,0,1]=4 2729 B11R1.189 CNCc1cccc(c1)CO 270004a_106832991635_200000050894 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.189 CNCc1cccc(c1)CO 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,1]=4 2731 B11R1.189 CNCc1cccc(c1)CO 34a_100102657272_100010188025 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.189 CNCc1cccc(c1)CO 7a_106832991635_100010188025 [1,1,0,0,0,0|1,0,1]=4 2733 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [1,1,0,0,0,0|1,0,1]=4 2735 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [1,1,0,0,0,0|1,0,1]=4 2736 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [1,1,0,0,0,0|1,0,1]=4 2737 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [1,1,0,0,0,0|1,0,1]=4 2738 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [1,1,0,0,0,0|1,0,1]=4 2739 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [1,1,0,0,0,0|1,0,1]=4 2740 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [1,1,0,0,0,0|1,0,1]=4 2741 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [1,1,0,0,0,0|1,0,1]=4 2742 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [1,1,0,0,0,0|1,0,1]=4 2743 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [1,1,0,0,0,0|1,0,1]=4 2744 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,1]=4 2745 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2746 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2747 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 2748 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 2749 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2750 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [1,1,0,0,0,0|1,0,1]=4 2751 B11R1.189 COCc1cccc(c1)C#N 34a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 2752 B11R1.189 COCc1cccc(c1)C#N 34a_100138415774_100000233786 [1,1,0,0,0,0|1,0,1]=4 2753 B11R1.189 COCc1cccc(c1)C#N 7a_100000753308_200000210301 [1,1,0,0,0,0|1,0,1]=4 2754 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,1,0,0,0,0|0,0,0]=2 2755 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 2756 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [1,1,0,0,0,0|1,0,1]=4 2757 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 2758 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [1,1,0,0,0,0|1,0,1]=4 2759 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [1,1,0,0,0,0|1,0,1]=4 2760 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [1,1,0,0,0,0|0,0,1]=3 2761 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2762 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [1,1,0,0,0,0|0,0,1]=3 2764 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [1,1,0,0,0,0|0,0,1]=3 2765 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [1,1,0,0,0,0|0,1,1]=4 2766 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [1,1,0,0,0,0|0,1,1]=4 2767 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [1,1,0,0,0,0|0,1,1]=4 2768 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [1,1,0,0,0,0|0,1,1]=4 2769 B11R1.189 COCc1cccc(n1)CO 34a_100138415774_100009813551 [1,1,0,0,0,0|1,0,1]=4 2770 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [1,1,0,0,0,0|1,0,1]=4 2771 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [1,1,0,0,0,0|1,0,1]=4 2772 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [1,1,0,0,0,0|1,0,1]=4 2773 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [1,1,0,0,0,0|1,0,1]=4 2774 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [1,1,0,0,0,0|1,0,1]=4 2775 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [1,1,0,0,0,0|0,0,1]=3 2776 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [1,1,0,0,0,0|0,0,1]=3 2777 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [1,1,0,0,0,0|1,0,1]=4 2778 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [1,1,0,0,0,0|1,0,1]=4 2779 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [1,1,0,0,0,0|1,0,1]=4 2780 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [1,1,0,0,0,0|0,0,1]=3 2781 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [1,1,0,0,0,0|0,1,1]=4 2782 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [1,1,0,0,0,0|0,1,1]=4 2783 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [1,1,0,0,0,0|0,1,1]=4 2784 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [1,1,0,0,0,0|0,1,1]=4 2785 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [1,1,0,0,0,0|1,0,1]=4 2786 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 2787 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,1,0,0,0,0|1,0,1]=4 2788 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [1,1,0,0,0,0|1,0,1]=4 2789 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2790 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [1,1,0,0,0,0|1,0,1]=4 2791 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [1,1,0,0,0,0|0,1,0]=3 2792 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [1,1,0,0,0,0|0,1,0]=3 2793 B11R1.189 CSCc1cccc(c1)CO 62a_100010188025_200000210301 [1,1,0,0,0,0|0,1,1]=4 2794 B11R1.189 CSCc1cccc(c1)CO 62a_200000210301_100010188025 [1,1,0,0,0,0|0,1,1]=4 2795 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [1,1,0,0,0,0|0,1,0]=3 2796 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [1,1,0,0,0,0|0,1,0]=3 2797 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [1,1,0,0,0,0|0,1,1]=4 2798 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [1,1,0,0,0,0|0,1,1]=4 2799 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,1,0,0,0,0|2,0,0]=4 2800 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,1,0,0,0,0|2,0,0]=4 2801 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 2802 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,1,0,0,0,0|1,0,1]=4 2803 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 2804 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,1,0,0,0,0|1,0,1]=4 2805 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 2806 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,1,0,0,0,0|1,0,1]=4 2807 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,1,0,0,0,0|1,0,1]=4 2808 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100011998288_100015361967 [1,1,0,0,0,0|1,1,0]=4 2809 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100015361967_100011998288 [1,1,0,0,0,0|1,1,0]=4 2810 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [1,1,0,0,0,0|0,1,0]=3 2811 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [1,1,0,0,0,0|0,1,0]=3 2812 B11R1.189 O=Cc1cccc(n1)SCF 62a_100000688028_100015361967 [1,1,0,0,0,0|1,1,0]=4 2813 B11R1.189 O=Cc1cccc(n1)SCF 62a_100015361967_100000688028 [1,1,0,0,0,0|1,1,0]=4 2814 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100011290808_100015361967 [1,1,0,0,0,0|1,1,0]=4 2815 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100015361967_100011290808 [1,1,0,0,0,0|1,1,0]=4 2816 B11R1.189 O=Cc1cncc(c1)SCF 62a_100000687066_100015361967 [1,1,0,0,0,0|1,1,0]=4 2817 B11R1.189 O=Cc1cncc(c1)SCF 62a_100015361967_100000687066 [1,1,0,0,0,0|1,1,0]=4 2818 B11R1.189 OCc1cccc(c1)NCF 34a_100000211919_100015361967 [1,1,0,0,0,0|1,0,1]=4 2819 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,1,0,0,0,0|0,0,1]=3 2820 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,1,0,0,0,0|0,0,1]=3 2821 B11R1.189 OCc1cccc(c1)SCF 62a_100000687537_100015361967 [1,1,0,0,0,0|0,1,1]=4 2822 B11R1.189 OCc1cccc(c1)SCF 62a_100015361967_100000687537 [1,1,0,0,0,0|0,1,1]=4 2823 B11R1.189 [13CH3]NCc1cccc(c1)CO 2230a_100011269909_200025704644 [1,1,0,0,0,0|1,0,1]=4 2824 B11R1.189 [13CH3]NCc1cccc(c1)CO 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,1]=4 2825 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [1,1,0,0,0,0|1,0,1]=4 2826 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,1]=4 2827 B11R1.189 [13CH3]OCc1cccc(c1)C#N 34a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 2828 B11R1.189 [13CH3]OCc1cccc(c1)C#N 7a_100000753308_200025704644 [1,1,0,0,0,0|1,0,1]=4 2829 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 2830 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [1,1,0,0,0,0|1,0,1]=4 2831 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 2832 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [1,1,0,0,0,0|1,0,1]=4 2833 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [1,1,0,0,0,0|1,0,1]=4 2834 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [1,1,0,0,0,0|1,0,1]=4 2835 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [1,1,0,0,0,0|1,0,1]=4 2836 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [1,1,0,0,0,0|0,0,1]=3 2837 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [1,1,0,0,0,0|0,0,1]=3 2838 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [1,1,0,0,0,0|1,0,1]=4 2839 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [1,1,0,0,0,0|0,1,0]=3 2840 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [1,1,0,0,0,0|0,1,0]=3 2841 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_100010188025_200025704644 [1,1,0,0,0,0|0,1,1]=4 2842 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_200025704644_100010188025 [1,1,0,0,0,0|0,1,1]=4 2843 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [1,1,0,0,0,0|0,1,0]=3 2844 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [1,1,0,0,0,0|0,1,0]=3 2845 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [1,1,0,0,0,0|0,1,1]=4 2846 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [1,1,0,0,0,0|0,1,1]=4 2847 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [1,1,0,0,0,0|1,0,1]=4 2848 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [1,1,0,0,0,0|1,0,0]=3 2849 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [1,1,0,0,0,0|1,0,0]=3 2850 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [1,1,0,0,0,0|1,0,1]=4 2851 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [1,1,0,0,0,0|1,0,0]=3 2852 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [1,1,0,0,0,0|1,1,0]=4 2853 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [1,1,0,0,0,0|1,1,0]=4 2854 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [1,1,0,0,0,0|1,1,0]=4 2855 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [1,1,0,0,0,0|1,1,0]=4 2856 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [1,1,0,0,0,0|1,0,1]=4 2857 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [1,1,0,0,0,0|1,0,0]=3 2859 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [1,1,0,0,0,0|2,0,0]=4 2861 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [1,1,0,0,0,0|1,0,0]=3 2862 B11R1.267 C=Cc1ccnc(c1C)OC 271570a_100011290941_100010068544 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.267 C=Cc1ccnc(c1F)OC 271570a_100011290941_100009885657 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.267 C=Cc1cncc(c1C)OC 271570a_100011290941_100010136163 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.267 C=Cc1nccc(c1C)OC 271570a_100011290941_100010067686 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.267 C=Cc1nccc(c1F)OC 271570a_100011290941_200010136267 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.267 C=Cc1nccc(c1N)OC 271570a_100011290941_100000100113 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.267 CNc1cccc(c1C)CO 2230a_102495339961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2870 B11R1.267 CNc1cccc(c1C)CO 34a_102495339961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2871 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 2872 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [1,1,0,0,0,0|2,0,0]=4 2873 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.267 CNc1cccc(c1F)CO 34a_100012023829_200000210301 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [1,1,0,0,0,0|2,0,0]=4 2876 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [1,1,0,0,0,0|2,0,0]=4 2877 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [1,1,0,0,0,0|2,0,0]=4 2878 B11R1.267 COc1cccc(c1Br)C#N 34a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 2879 B11R1.267 COc1cccc(c1Br)C#N 7a_100009818990_200000210301 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.267 COc1cccc(c1C)C#N 34a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 2890 B11R1.267 COc1cccc(c1C)C#N 7a_100000079589_200000210301 [1,1,0,0,0,0|1,0,1]=4 2891 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [1,1,0,0,0,0|0,0,1]=3 2892 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [1,1,0,0,0,0|0,0,1]=3 2893 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.267 COc1cccc(c1Cl)C#N 34a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2900 B11R1.267 COc1cccc(c1Cl)C#N 7a_200009871651_200000210301 [1,1,0,0,0,0|1,0,1]=4 2901 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.267 COc1cccc(c1F)C#N 34a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 2911 B11R1.267 COc1cccc(c1F)C#N 7a_200000094591_200000210301 [1,1,0,0,0,0|1,0,1]=4 2912 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [1,1,0,0,0,0|1,0,1]=4 2913 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [1,1,0,0,0,0|0,0,1]=3 2934 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.267 CSc1cccc(c1Br)CO 62a_100010240205_200000210301 [1,1,0,0,0,0|0,1,1]=4 2939 B11R1.267 CSc1cccc(c1Br)CO 62a_200000210301_100010240205 [1,1,0,0,0,0|0,1,1]=4 2940 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [1,1,0,0,0,0|0,1,0]=3 2941 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [1,1,0,0,0,0|0,1,0]=3 2942 B11R1.267 CSc1cccc(c1C)CO 62a_100000694458_200000210301 [1,1,0,0,0,0|0,1,1]=4 2943 B11R1.267 CSc1cccc(c1C)CO 62a_200000210301_100000694458 [1,1,0,0,0,0|0,1,1]=4 2944 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [1,1,0,0,0,0|0,1,0]=3 2945 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [1,1,0,0,0,0|0,1,0]=3 2946 B11R1.267 CSc1cccc(c1F)CO 62a_100011935076_200000210301 [1,1,0,0,0,0|0,1,1]=4 2947 B11R1.267 CSc1cccc(c1F)CO 62a_200000210301_100011935076 [1,1,0,0,0,0|0,1,1]=4 2948 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [1,1,0,0,0,0|0,1,0]=3 2949 B11R1.267 CSc1cccc(c1N)CO 62a_100012349457_200000210301 [1,1,0,0,0,0|0,1,1]=4 2950 B11R1.267 CSc1cccc(c1N)CO 62a_200000210301_100012349457 [1,1,0,0,0,0|0,1,1]=4 2951 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [1,1,0,0,0,0|0,1,0]=3 2952 B11R1.267 CSc1ccnc(c1F)C=O 62a_100015713984_200000210301 [1,1,0,0,0,0|1,1,0]=4 2953 B11R1.267 CSc1ccnc(c1F)C=O 62a_200000210301_100015713984 [1,1,0,0,0,0|1,1,0]=4 2954 B11R1.267 CSc1cncc(c1C)C=O 62a_100010214934_200000210301 [1,1,0,0,0,0|1,1,0]=4 2955 B11R1.267 CSc1cncc(c1C)C=O 62a_200000210301_100010214934 [1,1,0,0,0,0|1,1,0]=4 2956 B11R1.267 CSc1cncc(c1N)C=O 62a_100010729279_200000210301 [1,1,0,0,0,0|1,1,0]=4 2957 B11R1.267 CSc1cncc(c1N)C=O 62a_200000210301_100010729279 [1,1,0,0,0,0|1,1,0]=4 2958 B11R1.267 CSc1cncc(c1O)C=O 62a_100010729654_200000210301 [1,1,0,0,0,0|1,1,0]=4 2959 B11R1.267 CSc1cncc(c1O)C=O 62a_200000210301_100010729654 [1,1,0,0,0,0|1,1,0]=4 2960 B11R1.267 CSc1nccc(c1C)C=O 62a_100000096011_200000210301 [1,1,0,0,0,0|1,1,0]=4 2961 B11R1.267 CSc1nccc(c1C)C=O 62a_200000210301_100000096011 [1,1,0,0,0,0|1,1,0]=4 2962 B11R1.267 CSc1nccc(c1F)C=O 62a_100000050688_200000210301 [1,1,0,0,0,0|1,1,0]=4 2963 B11R1.267 CSc1nccc(c1F)C=O 62a_200000210301_100000050688 [1,1,0,0,0,0|1,1,0]=4 2964 B11R1.267 Cc1c(cccc1N[13CH3])CO 2230a_102495339961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2965 B11R1.267 Cc1c(cccc1N[13CH3])CO 34a_102495339961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2966 B11R1.267 Cc1c(cccc1O[13CH3])C#N 34a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 2967 B11R1.267 Cc1c(cccc1O[13CH3])C#N 7a_100000079589_200025704644 [1,1,0,0,0,0|1,0,1]=4 2968 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [1,1,0,0,0,0|0,0,1]=3 2969 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [1,1,0,0,0,0|0,0,1]=3 2970 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [1,1,0,0,0,0|0,1,0]=3 2971 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [1,1,0,0,0,0|0,1,0]=3 2972 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_100000694458_200025704644 [1,1,0,0,0,0|0,1,1]=4 2973 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_200025704644_100000694458 [1,1,0,0,0,0|0,1,1]=4 2974 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_100000096011_200025704644 [1,1,0,0,0,0|1,1,0]=4 2975 B11R1.267 Cc1c(ccnc1S[13CH3])C=O 62a_200025704644_100000096011 [1,1,0,0,0,0|1,1,0]=4 2976 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_100010214934_200025704644 [1,1,0,0,0,0|1,1,0]=4 2977 B11R1.267 Cc1c(cncc1S[13CH3])C=O 62a_200025704644_100010214934 [1,1,0,0,0,0|1,1,0]=4 2978 B11R1.267 N#Cc1cccc(c1O)C=O 271570a_203496583355_100010133059 [1,1,0,0,0,0|2,0,0]=4 2979 B11R1.267 [13CH3]Nc1cccc(c1F)CO 34a_100012023829_200025704644 [1,1,0,0,0,0|1,0,1]=4 2980 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 34a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 2981 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 7a_100009818990_200025704644 [1,1,0,0,0,0|1,0,1]=4 2982 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 34a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2983 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 7a_200009871651_200025704644 [1,1,0,0,0,0|1,0,1]=4 2984 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 34a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 2985 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 7a_200000094591_200025704644 [1,1,0,0,0,0|1,0,1]=4 2986 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [1,1,0,0,0,0|1,0,1]=4 2987 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_100010240205_200025704644 [1,1,0,0,0,0|0,1,1]=4 2988 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_200025704644_100010240205 [1,1,0,0,0,0|0,1,1]=4 2989 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [1,1,0,0,0,0|0,1,0]=3 2990 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [1,1,0,0,0,0|0,1,0]=3 2991 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_100011935076_200025704644 [1,1,0,0,0,0|0,1,1]=4 2992 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_200025704644_100011935076 [1,1,0,0,0,0|0,1,1]=4 2993 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [1,1,0,0,0,0|0,1,0]=3 2994 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_100012349457_200025704644 [1,1,0,0,0,0|0,1,1]=4 2995 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_200025704644_100012349457 [1,1,0,0,0,0|0,1,1]=4 2996 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [1,1,0,0,0,0|0,1,0]=3 2997 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_100015713984_200025704644 [1,1,0,0,0,0|1,1,0]=4 2998 B11R1.267 [13CH3]Sc1ccnc(c1F)C=O 62a_200025704644_100015713984 [1,1,0,0,0,0|1,1,0]=4 2999 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_100010729279_200025704644 [1,1,0,0,0,0|1,1,0]=4 3000 B11R1.267 [13CH3]Sc1cncc(c1N)C=O 62a_200025704644_100010729279 [1,1,0,0,0,0|1,1,0]=4 3001 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_100010729654_200025704644 [1,1,0,0,0,0|1,1,0]=4 3002 B11R1.267 [13CH3]Sc1cncc(c1O)C=O 62a_200025704644_100010729654 [1,1,0,0,0,0|1,1,0]=4 3003 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_100000050688_200025704644 [1,1,0,0,0,0|1,1,0]=4 3004 B11R1.267 [13CH3]Sc1nccc(c1F)C=O 62a_200025704644_100000050688 [1,1,0,0,0,0|1,1,0]=4 3005 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,1,0,0,0,0|2,0,0]=4 3006 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,1,0,0,0,0|2,0,0]=4 3007 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,1,0,0,0,0|2,0,0]=4 3008 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,1,0,0,0,0|2,0,0]=4 3009 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,1,0,0,0,0|1,0,1]=4 3010 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [1,1,0,0,0,0|1,0,0]=3 3011 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,1,0,0,0,0|1,0,1]=4 3012 B11R1.280 C=Cc1cc(ccc1C)NC 271570a_100011290941_100000707694 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [1,1,0,0,0,0|1,0,0]=3 3014 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,1,0,0,0,0|1,0,1]=4 3015 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [1,1,0,0,0,0|1,0,0]=3 3016 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,1,0,0,0,0|1,0,1]=4 3017 B11R1.280 C=Cc1cc(ccc1F)CC 271570a_100011290941_200010244628 [1,1,0,0,0,0|2,0,0]=4 3018 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [1,1,0,0,0,0|1,0,0]=3 3019 B11R1.280 C=Cc1cc(ccc1F)SC 271570a_100011290941_200010708804 [1,1,0,0,0,0|1,1,0]=4 3020 B11R1.280 C=Cc1cc(ccc1F)SC 62a_100000688377_200000210301 [1,1,0,0,0,0|1,1,0]=4 3021 B11R1.280 C=Cc1cc(ccc1F)SC 62a_200000210301_100000688377 [1,1,0,0,0,0|1,1,0]=4 3022 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_100000688377_200025704644 [1,1,0,0,0,0|1,1,0]=4 3023 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100000688377 [1,1,0,0,0,0|1,1,0]=4 3024 B11R1.280 C=Cc1cc(ccc1N)CC 271570a_100011290941_100012339725 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [1,1,0,0,0,0|1,0,0]=3 3026 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,1,0,0,0,0|1,0,1]=4 3027 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,1,0,0,0,0|1,0,0]=3 3029 B11R1.280 C=Cc1cc(cnc1F)OC 271570a_100011290941_100010068374 [1,1,0,0,0,0|2,0,0]=4 3030 B11R1.280 C=Cc1cc(ncc1C)OC 271570a_100011290941_100010068546 [1,1,0,0,0,0|2,0,0]=4 3031 B11R1.280 C=Cc1cc(ncc1Cl)OC 271570a_100011290941_100010068019 [1,1,0,0,0,0|2,0,0]=4 3032 B11R1.280 C=Cc1cc(ncc1F)OC 271570a_100011290941_100010160775 [1,1,0,0,0,0|2,0,0]=4 3033 B11R1.280 C=Cc1ccc(c(c1)C=O)Br 271570a_100011290941_100010185652 [1,1,0,0,0,0|1,0,1]=4 3034 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,1,0,0,0,0|1,0,1]=4 3035 B11R1.280 C=Cc1ccc(c(c1)C=O)Cl 271570a_100011290941_100010254384 [1,1,0,0,0,0|1,0,1]=4 3036 B11R1.280 C=Cc1ccc(c(c1)C=O)F 271570a_100011290941_100000211465 [1,1,0,0,0,0|1,0,1]=4 3037 B11R1.280 C=Cc1ccc(c(c1)C=O)N 271570a_100011290941_100011935258 [1,1,0,0,0,0|1,0,1]=4 3038 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,1,0,0,0,0|1,0,1]=4 3039 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,1,0,0,0,0|2,0,0]=4 3041 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,1,0,0,0,0|2,0,0]=4 3042 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,1,0,0,0,0|2,0,0]=4 3043 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,1,0,0,0,0|2,0,0]=4 3044 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,1,0,0,0,0|2,0,0]=4 3045 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,1,0,0,0,0|1,0,0]=3 3047 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,1,0,0,0,0|1,0,0]=3 3048 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,1,0,0,0,0|1,0,0]=3 3049 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,1,0,0,0,0|1,0,0]=3 3050 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,1,0,0,0,0|1,0,0]=3 3051 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,1,0,0,0,0|1,0,0]=3 3052 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,1,0,0,0,0|1,1,0]=4 3053 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.280 C=Cc1nc(ccc1N)OC 271570a_100011290941_100000069805 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [1,1,0,0,0,0|1,0,1]=4 3060 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [1,1,0,0,0,0|1,0,1]=4 3061 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [1,1,0,0,0,0|1,0,1]=4 3062 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [1,1,0,0,0,0|1,0,1]=4 3063 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,1,0,0,0,0|1,0,1]=4 3064 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,1,0,0,0,0|1,0,1]=4 3065 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,1,0,0,0,0|1,0,1]=4 3066 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,1,0,0,0,0|1,0,1]=4 3067 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,1,0,0,0,0|1,0,1]=4 3068 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,1,0,0,0,0|1,0,1]=4 3069 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [1,1,0,0,0,0|1,0,1]=4 3070 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [1,1,0,0,0,0|1,0,1]=4 3073 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3074 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [1,1,0,0,0,0|1,0,1]=4 3076 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [1,1,0,0,0,0|1,0,1]=4 3078 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [1,1,0,0,0,0|1,0,1]=4 3079 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [1,1,0,0,0,0|2,0,0]=4 3080 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [1,1,0,0,0,0|2,0,0]=4 3081 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,1]=4 3082 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|2,0,0]=4 3083 B11R1.280 CNc1ccc(c(c1)CO)Br 2230a_100012347228_200000210301 [1,1,0,0,0,0|1,0,1]=4 3084 B11R1.280 CNc1ccc(c(c1)CO)Br 34a_100012347228_200000210301 [1,1,0,0,0,0|1,0,1]=4 3085 B11R1.280 CNc1ccc(c(c1)CO)Cl 2230a_100011273577_200000210301 [1,1,0,0,0,0|1,0,1]=4 3086 B11R1.280 CNc1ccc(c(c1)CO)Cl 34a_100011273577_200000210301 [1,1,0,0,0,0|1,0,1]=4 3087 B11R1.280 CNc1ccc(c(c1)CO)F 34a_100011218011_200000210301 [1,1,0,0,0,0|1,0,1]=4 3088 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3089 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3090 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,1,0,0,0,0|2,0,0]=4 3091 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [1,1,0,0,0,0|1,0,0]=3 3099 B11R1.280 COc1cc(c(cn1)O)CO 271570a_203496583355_100012343675 [1,1,0,0,0,0|1,0,1]=4 3100 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,1,0,0,0,0|1,0,1]=4 3101 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,1,0,0,0,0|1,0,1]=4 3102 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,1,0,0,0,0|0,0,1]=3 3103 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,1,0,0,0,0|0,0,1]=3 3104 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,1,0,0,0,0|1,0,1]=4 3113 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,1,0,0,0,0|1,0,1]=4 3114 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,1,0,0,0,0|1,0,1]=4 3123 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,1,0,0,0,0|1,0,1]=4 3124 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,1,0,0,0,0|1,0,1]=4 3125 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,1,0,0,0,0|0,0,1]=3 3126 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,1,0,0,0,0|0,0,1]=3 3127 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,1,0,0,0,0|2,0,0]=4 3129 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,1,0,0,0,0|2,0,0]=4 3130 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,1,0,0,0,0|1,0,1]=4 3137 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,1,0,0,0,0|1,0,1]=4 3138 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,1,0,0,0,0|0,0,1]=3 3139 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,1,0,0,0,0|0,0,1]=3 3140 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,1,0,0,0,0|1,0,1]=4 3149 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,1,0,0,0,0|1,0,1]=4 3150 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,1,0,0,0,0|0,0,1]=3 3151 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,1,0,0,0,0|0,0,1]=3 3152 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,1,0,0,0,0|1,0,1]=4 3154 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,1,0,0,0,0|1,0,1]=4 3155 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,1,0,0,0,0|1,0,1]=4 3162 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,1,0,0,0,0|0,0,0]=2 3163 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,1,0,0,0,0|0,0,1]=3 3164 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,1,0,0,0,0|1,0,1]=4 3168 B11R1.280 COc1ccc(c(c1)C#N)Br 34a_100009818209_200000210301 [1,1,0,0,0,0|1,0,1]=4 3169 B11R1.280 COc1ccc(c(c1)C#N)Br 7a_100009818209_200000210301 [1,1,0,0,0,0|1,0,1]=4 3170 B11R1.280 COc1ccc(c(c1)C#N)Cl 34a_100000092820_200000210301 [1,1,0,0,0,0|1,0,1]=4 3171 B11R1.280 COc1ccc(c(c1)C#N)Cl 7a_100000092820_200000210301 [1,1,0,0,0,0|1,0,1]=4 3172 B11R1.280 COc1ccc(c(c1)C#N)F 34a_100000070142_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B11R1.280 COc1ccc(c(c1)C#N)F 7a_100000070142_200000210301 [1,1,0,0,0,0|1,0,1]=4 3174 B11R1.280 COc1ccc(c(c1)C#N)N 34a_200011997737_200000210301 [1,1,0,0,0,0|1,0,1]=4 3175 B11R1.280 COc1ccc(c(c1)C#N)N 7a_200011997737_200000210301 [1,1,0,0,0,0|1,0,1]=4 3176 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [1,1,0,0,0,0|1,0,1]=4 3177 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,1,0,0,0,0|0,0,0]=2 3178 B11R1.280 COc1ccc(c(c1)CN)C 34a_200009844824_200000210301 [1,1,0,0,0,0|1,0,1]=4 3179 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,1,0,0,0,0|1,0,1]=4 3180 B11R1.280 COc1ccc(c(c1)CO)Br 34a_100012351483_200000210301 [1,1,0,0,0,0|0,0,1]=3 3181 B11R1.280 COc1ccc(c(c1)CO)Br 7a_100012351483_200000210301 [1,1,0,0,0,0|0,0,1]=3 3182 B11R1.280 COc1ccc(c(c1)CO)C 34a_100009878257_200000210301 [1,1,0,0,0,0|0,0,1]=3 3183 B11R1.280 COc1ccc(c(c1)CO)C 7a_100009878257_200000210301 [1,1,0,0,0,0|0,0,1]=3 3184 B11R1.280 COc1ccc(c(c1)CO)Cl 34a_100000091669_200000210301 [1,1,0,0,0,0|0,0,1]=3 3185 B11R1.280 COc1ccc(c(c1)CO)Cl 7a_100000091669_200000210301 [1,1,0,0,0,0|0,0,1]=3 3186 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|0,0,1]=3 3187 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3191 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,1,0,0,0,0|2,0,0]=4 3212 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3213 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3218 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3219 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,1,0,0,0,0|2,0,0]=4 3220 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,1,0,0,0,0|2,0,0]=4 3221 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,1,0,0,0,0|2,0,0]=4 3222 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,1,0,0,0,0|2,0,0]=4 3223 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,1,0,0,0,0|2,0,0]=4 3224 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,1,0,0,0,0|2,0,0]=4 3225 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3226 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [1,1,0,0,0,0|2,0,0]=4 3239 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [1,1,0,0,0,0|2,0,0]=4 3246 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [1,1,0,0,0,0|1,0,0]=3 3252 B11R1.280 COc1ccc(c(n1)CO)O 271570a_203496583355_100010069746 [1,1,0,0,0,0|1,0,1]=4 3253 B11R1.280 CSc1cc(c(cn1)Br)C=O 62a_200000210301_200135154921 [1,1,0,0,0,0|1,1,0]=4 3254 B11R1.280 CSc1cc(c(cn1)Br)C=O 62a_200135154921_200000210301 [1,1,0,0,0,0|1,1,0]=4 3255 B11R1.280 CSc1cc(c(cn1)F)C=O 62a_100000707870_200000210301 [1,1,0,0,0,0|1,1,0]=4 3256 B11R1.280 CSc1cc(c(cn1)F)C=O 62a_200000210301_100000707870 [1,1,0,0,0,0|1,1,0]=4 3257 B11R1.280 CSc1cc(c(cn1)O)C=O 62a_200000210301_100000048449 [1,1,0,0,0,0|1,1,0]=4 3258 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,1,0,0,0,0|0,1,0]=3 3259 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,1,0,0,0,0|0,1,0]=3 3260 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,1,0,0,0,0|0,1,0]=3 3261 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,1,0,0,0,0|0,1,0]=3 3262 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [1,1,0,0,0,0|0,1,1]=4 3263 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [1,1,0,0,0,0|0,1,1]=4 3264 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,1,0,0,0,0|0,1,0]=3 3265 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,1,0,0,0,0|0,1,0]=3 3266 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,1,0,0,0,0|0,1,0]=3 3267 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,1,0,0,0,0|0,1,0]=3 3268 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [1,1,0,0,0,0|0,1,1]=4 3269 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [1,1,0,0,0,0|0,1,1]=4 3270 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,1,0,0,0,0|0,1,0]=3 3271 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,1,0,0,0,0|0,1,0]=3 3272 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,1,0,0,0,0|0,1,1]=4 3273 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,1,0,0,0,0|0,1,1]=4 3274 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [1,1,0,0,0,0|1,1,0]=4 3275 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [1,1,0,0,0,0|1,1,0]=4 3276 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,1,0,0,0,0|1,1,0]=4 3277 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,1,0,0,0,0|1,1,0]=4 3278 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [1,1,0,0,0,0|1,1,0]=4 3279 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [1,1,0,0,0,0|1,1,0]=4 3280 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_100010185652_200000210301 [1,1,0,0,0,0|0,1,0]=3 3281 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_200000210301_100010185652 [1,1,0,0,0,0|0,1,0]=3 3282 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_100011361606_200000210301 [1,1,0,0,0,0|0,1,0]=3 3283 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_200000210301_100011361606 [1,1,0,0,0,0|0,1,0]=3 3284 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_100010254384_200000210301 [1,1,0,0,0,0|0,1,0]=3 3285 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_200000210301_100010254384 [1,1,0,0,0,0|0,1,0]=3 3286 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_100000050626_200000210301 [1,1,0,0,0,0|0,1,0]=3 3287 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_200000210301_100000050626 [1,1,0,0,0,0|0,1,0]=3 3288 B11R1.280 CSc1ccc(c(c1)C=O)N 62a_100011935258_200000210301 [1,1,0,0,0,0|0,1,0]=3 3289 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [1,1,0,0,0,0|0,1,0]=3 3290 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_100012359683_200000210301 [1,1,0,0,0,0|0,1,1]=4 3291 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_200000210301_100012359683 [1,1,0,0,0,0|0,1,1]=4 3292 B11R1.280 CSc1ccc(c(c1)CO)C 62a_100000700630_200000210301 [1,1,0,0,0,0|0,1,1]=4 3293 B11R1.280 CSc1ccc(c(c1)CO)C 62a_200000210301_100000700630 [1,1,0,0,0,0|0,1,1]=4 3294 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_100010128486_200000210301 [1,1,0,0,0,0|0,1,1]=4 3295 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_200000210301_100010128486 [1,1,0,0,0,0|0,1,1]=4 3296 B11R1.280 CSc1ccc(c(c1)CO)F 62a_100000246282_200000210301 [1,1,0,0,0,0|0,1,1]=4 3297 B11R1.280 CSc1ccc(c(c1)CO)F 62a_200000210301_100000246282 [1,1,0,0,0,0|0,1,1]=4 3298 B11R1.280 CSc1ccc(c(c1)CO)N 62a_100012353972_200000210301 [1,1,0,0,0,0|0,1,1]=4 3299 B11R1.280 CSc1ccc(c(c1)CO)N 62a_200000210301_100012353972 [1,1,0,0,0,0|0,1,1]=4 3300 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|0,1,1]=4 3301 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|0,1,1]=4 3302 B11R1.280 CSc1ccc(c(n1)C=O)F 62a_100009814804_200000210301 [1,1,0,0,0,0|1,1,0]=4 3303 B11R1.280 CSc1ccc(c(n1)C=O)F 62a_200000210301_100009814804 [1,1,0,0,0,0|1,1,0]=4 3304 B11R1.280 CSc1cnc(c(c1)C=O)F 62a_100009814789_200000210301 [1,1,0,0,0,0|1,1,0]=4 3305 B11R1.280 CSc1cnc(c(c1)C=O)F 62a_200000210301_100009814789 [1,1,0,0,0,0|1,1,0]=4 3306 B11R1.280 CSc1cnc(c(c1)C=O)N 62a_100009814808_200000210301 [1,1,0,0,0,0|1,1,0]=4 3307 B11R1.280 CSc1cnc(c(c1)C=O)N 62a_200000210301_100009814808 [1,1,0,0,0,0|1,1,0]=4 3308 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_100010064889_200000210301 [1,1,0,0,0,0|1,1,0]=4 3309 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_200000210301_100010064889 [1,1,0,0,0,0|1,1,0]=4 3310 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_100011361606_200025704644 [1,1,0,0,0,0|0,1,0]=3 3311 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100011361606 [1,1,0,0,0,0|0,1,0]=3 3312 B11R1.280 Cc1ccc(cc1CN)O[13CH3] 34a_200009844824_200025704644 [1,1,0,0,0,0|1,0,1]=4 3313 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 34a_100009878257_200025704644 [1,1,0,0,0,0|0,0,1]=3 3314 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 7a_100009878257_200025704644 [1,1,0,0,0,0|0,0,1]=3 3315 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_100000700630_200025704644 [1,1,0,0,0,0|0,1,1]=4 3316 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000700630 [1,1,0,0,0,0|0,1,1]=4 3317 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [1,1,0,0,0,0|1,0,1]=4 3318 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [1,1,0,0,0,0|1,0,1]=4 3319 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,1,0,0,0,0|1,0,1]=4 3320 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,1,0,0,0,0|1,0,1]=4 3321 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,1,0,0,0,0|0,1,0]=3 3322 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,1,0,0,0,0|0,1,0]=3 3323 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [1,1,0,0,0,0|0,1,1]=4 3324 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [1,1,0,0,0,0|0,1,1]=4 3325 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [1,1,0,0,0,0|1,1,0]=4 3326 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [1,1,0,0,0,0|1,1,0]=4 3327 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [1,1,0,0,0,0|2,0,0]=4 3329 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,1,0,0,0,0|2,0,0]=4 3330 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [1,1,0,0,0,0|1,0,1]=4 3331 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [1,1,0,0,0,0|1,0,1]=4 3332 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [1,1,0,0,0,0|1,0,1]=4 3333 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [1,1,0,0,0,0|1,0,1]=4 3334 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,1]=4 3335 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 2230a_100012347228_200025704644 [1,1,0,0,0,0|1,0,1]=4 3336 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 34a_100012347228_200025704644 [1,1,0,0,0,0|1,0,1]=4 3337 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 2230a_100011273577_200025704644 [1,1,0,0,0,0|1,0,1]=4 3338 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 34a_100011273577_200025704644 [1,1,0,0,0,0|1,0,1]=4 3339 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)F 34a_100011218011_200025704644 [1,1,0,0,0,0|1,0,1]=4 3340 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,1,0,0,0,0|1,0,1]=4 3341 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,1,0,0,0,0|1,0,1]=4 3342 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,1,0,0,0,0|0,0,1]=3 3343 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,1,0,0,0,0|0,0,1]=3 3344 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,1,0,0,0,0|1,0,1]=4 3345 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,1,0,0,0,0|1,0,1]=4 3346 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,1,0,0,0,0|1,0,1]=4 3347 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,1,0,0,0,0|0,0,1]=3 3348 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,1,0,0,0,0|0,0,1]=3 3349 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,1,0,0,0,0|1,0,1]=4 3350 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,1,0,0,0,0|1,0,1]=4 3351 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,1,0,0,0,0|1,0,1]=4 3352 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,1,0,0,0,0|0,0,1]=3 3353 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,1,0,0,0,0|0,0,1]=3 3354 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,1,0,0,0,0|1,0,1]=4 3355 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,1,0,0,0,0|1,0,1]=4 3356 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,1,0,0,0,0|0,0,1]=3 3357 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,1,0,0,0,0|0,0,1]=3 3358 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,1,0,0,0,0|1,0,1]=4 3359 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,1,0,0,0,0|1,0,1]=4 3360 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 34a_100009818209_200025704644 [1,1,0,0,0,0|1,0,1]=4 3361 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 7a_100009818209_200025704644 [1,1,0,0,0,0|1,0,1]=4 3362 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 34a_100000092820_200025704644 [1,1,0,0,0,0|1,0,1]=4 3363 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 7a_100000092820_200025704644 [1,1,0,0,0,0|1,0,1]=4 3364 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 34a_100000070142_200025704644 [1,1,0,0,0,0|1,0,1]=4 3365 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 7a_100000070142_200025704644 [1,1,0,0,0,0|1,0,1]=4 3366 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 34a_200011997737_200025704644 [1,1,0,0,0,0|1,0,1]=4 3367 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 7a_200011997737_200025704644 [1,1,0,0,0,0|1,0,1]=4 3368 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 34a_100012351483_200025704644 [1,1,0,0,0,0|0,0,1]=3 3369 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 7a_100012351483_200025704644 [1,1,0,0,0,0|0,0,1]=3 3370 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 34a_100000091669_200025704644 [1,1,0,0,0,0|0,0,1]=3 3371 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 7a_100000091669_200025704644 [1,1,0,0,0,0|0,0,1]=3 3372 B11R1.280 [13CH3]Sc1cc(c(cn1)Br)C=O 62a_200025704644_200135154921 [1,1,0,0,0,0|1,1,0]=4 3373 B11R1.280 [13CH3]Sc1cc(c(cn1)Br)C=O 62a_200135154921_200025704644 [1,1,0,0,0,0|1,1,0]=4 3374 B11R1.280 [13CH3]Sc1cc(c(cn1)F)C=O 62a_100000707870_200025704644 [1,1,0,0,0,0|1,1,0]=4 3375 B11R1.280 [13CH3]Sc1cc(c(cn1)F)C=O 62a_200025704644_100000707870 [1,1,0,0,0,0|1,1,0]=4 3376 B11R1.280 [13CH3]Sc1cc(c(cn1)O)C=O 62a_200025704644_100000048449 [1,1,0,0,0,0|1,1,0]=4 3377 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,1,0,0,0,0|0,1,0]=3 3378 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,1,0,0,0,0|0,1,0]=3 3379 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,1,0,0,0,0|0,1,0]=3 3380 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,1,0,0,0,0|0,1,0]=3 3381 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,1,0,0,0,0|0,1,0]=3 3382 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,1,0,0,0,0|0,1,0]=3 3383 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [1,1,0,0,0,0|0,1,1]=4 3384 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [1,1,0,0,0,0|0,1,1]=4 3385 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,1,0,0,0,0|0,1,0]=3 3386 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,1,0,0,0,0|0,1,0]=3 3387 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,1,0,0,0,0|0,1,1]=4 3388 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,1,0,0,0,0|0,1,1]=4 3389 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [1,1,0,0,0,0|1,1,0]=4 3390 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [1,1,0,0,0,0|1,1,0]=4 3391 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,1,0,0,0,0|1,1,0]=4 3392 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,1,0,0,0,0|1,1,0]=4 3393 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_100010185652_200025704644 [1,1,0,0,0,0|0,1,0]=3 3394 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_200025704644_100010185652 [1,1,0,0,0,0|0,1,0]=3 3395 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_100010254384_200025704644 [1,1,0,0,0,0|0,1,0]=3 3396 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_200025704644_100010254384 [1,1,0,0,0,0|0,1,0]=3 3397 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_100000050626_200025704644 [1,1,0,0,0,0|0,1,0]=3 3398 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_200025704644_100000050626 [1,1,0,0,0,0|0,1,0]=3 3399 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)N 62a_100011935258_200025704644 [1,1,0,0,0,0|0,1,0]=3 3400 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [1,1,0,0,0,0|0,1,0]=3 3401 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_100012359683_200025704644 [1,1,0,0,0,0|0,1,1]=4 3402 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_200025704644_100012359683 [1,1,0,0,0,0|0,1,1]=4 3403 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_100010128486_200025704644 [1,1,0,0,0,0|0,1,1]=4 3404 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_200025704644_100010128486 [1,1,0,0,0,0|0,1,1]=4 3405 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_100000246282_200025704644 [1,1,0,0,0,0|0,1,1]=4 3406 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_200025704644_100000246282 [1,1,0,0,0,0|0,1,1]=4 3407 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_100012353972_200025704644 [1,1,0,0,0,0|0,1,1]=4 3408 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_200025704644_100012353972 [1,1,0,0,0,0|0,1,1]=4 3409 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|0,1,1]=4 3410 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|0,1,1]=4 3411 B11R1.280 [13CH3]Sc1ccc(c(n1)C=O)F 62a_100009814804_200025704644 [1,1,0,0,0,0|1,1,0]=4 3412 B11R1.280 [13CH3]Sc1ccc(c(n1)C=O)F 62a_200025704644_100009814804 [1,1,0,0,0,0|1,1,0]=4 3413 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)F 62a_100009814789_200025704644 [1,1,0,0,0,0|1,1,0]=4 3414 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)F 62a_200025704644_100009814789 [1,1,0,0,0,0|1,1,0]=4 3415 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)N 62a_100009814808_200025704644 [1,1,0,0,0,0|1,1,0]=4 3416 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)N 62a_200025704644_100009814808 [1,1,0,0,0,0|1,1,0]=4 3417 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_100010064889_200025704644 [1,1,0,0,0,0|1,1,0]=4 3418 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_200025704644_100010064889 [1,1,0,0,0,0|1,1,0]=4 3419 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,1,0,0,1,0|1,1,0]=4 3420 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,1,0,0,1,0|1,1,0]=4 3421 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,1,0,0,1,0|1,1,0]=4 3422 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,1,0,0,1,0|1,1,0]=4 3423 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,1,0,0,1,0|1,1,0]=4 3424 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,1,0,0,1,0|1,1,0]=4 3425 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,1,0,0,1,0|1,1,0]=4 3426 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,1,0,0,1,0|1,1,0]=4 3427 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,1,0,0,1,0|1,1,0]=4 3428 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,1,0,0,1,0|1,1,0]=4 3429 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,1,0,0,1,0|1,1,0]=4 3430 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,1,0,0,1,0|1,1,0]=4 3431 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,1,0,0,1,0|1,1,0]=4 3432 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,1,0,0,1,0|1,1,0]=4 3433 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,1,0,0,1,0|1,1,0]=4 3434 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,1,0,0,1,0|1,1,0]=4 3435 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,1,0,0,1,0|1,1,0]=4 3436 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,1,0,0,1,0|1,1,0]=4 3437 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,1,0,0,1,0|1,1,0]=4 3438 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,1,0,0,1,0|1,1,0]=4 3439 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,1,0,0,1,0|1,1,0]=4 3440 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,1,0,0,1,0|1,1,0]=4 3441 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,1,0,0,1,0|1,1,0]=4 3442 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,1,0,0,1,0|1,1,0]=4 3443 B11R1.124 COCc1csc(c1)C(=O)C 34a_100138415774_200000067479 [0,1,0,0,1,0|2,0,0]=4 3444 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,1,0,0,1,0|1,0,0]=3 3445 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,1,0,0,1,0|1,0,0]=3 3446 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,1,0,0,1,0|1,1,0]=4 3447 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,1,0,0,1,0|1,1,0]=4 3448 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,1,0,0,1,0|1,1,0]=4 3449 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,1,0,0,1,0|1,1,0]=4 3450 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,1,0,0,1,0|1,1,0]=4 3451 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,1,0,0,1,0|1,1,0]=4 3452 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,1,0,0,1,0|1,1,0]=4 3453 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,1,0,0,1,0|1,1,0]=4 3454 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [0,1,0,0,1,0|1,1,0]=4 3455 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [0,1,0,0,1,0|1,1,0]=4 3456 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [0,1,0,0,1,0|1,1,0]=4 3457 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [0,1,0,0,1,0|1,1,0]=4 3458 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,1,0,0,1,0|1,1,0]=4 3459 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,1,0,0,1,0|1,1,0]=4 3460 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,1,0,0,1,0|1,0,0]=3 3461 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,1,0,0,1,0|1,0,0]=3 3462 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,1,0,0,1,0|1,1,0]=4 3463 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,1,0,0,1,0|1,1,0]=4 3464 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,0,0,0,1|1,1,0]=4 3465 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,0,0,0,1|1,1,0]=4 3466 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 34a_100000739390_200025704644 [0,1,0,0,0,1|2,0,0]=4 3467 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])C 7a_100000739390_200025704644 [0,1,0,0,0,1|2,0,0]=4 3468 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])Cl 34a_100000742996_200025704644 [0,1,0,0,0,1|2,0,0]=4 3469 B13R1.52 CC(=O)Nc1ccc(c(c1)N[13CH3])F 34a_106454645589_200025704644 [0,1,0,0,0,1|2,0,0]=4 3470 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,1,0,0,0,1|1,0,0]=3 3471 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,1,0,0,0,1|1,0,0]=3 3472 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011221169 [0,1,0,0,0,1|1,1,0]=4 3473 B13R1.52 CC(=O)Nc1ccc(c(c1)S[13CH3])F 62a_200025704644_100012348134 [0,1,0,0,0,1|1,1,0]=4 3474 B13R1.52 CC(=O)Oc1ccc(c(c1)S[13CH3])C 62a_200025704644_200025702335 [0,1,0,0,0,1|1,1,0]=4 3475 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 11a_100010109747_100015343762 [0,1,0,0,0,1|2,0,0]=4 3476 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 1626a_100010109747_100015343762 [0,1,0,0,0,1|2,0,0]=4 3477 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 22a_100010109747_100000070787 [0,1,0,0,0,1|2,0,0]=4 3478 B13R1.52 CCc1cc(ccc1Br)NC(=O)C 527a_100010109747_100103153847 [0,1,0,0,0,1|2,0,0]=4 3479 B13R1.52 CNc1cc(ccc1C)NC(=O)C 34a_100000739390_200000210301 [0,1,0,0,0,1|2,0,0]=4 3480 B13R1.52 CNc1cc(ccc1C)NC(=O)C 7a_100000739390_200000210301 [0,1,0,0,0,1|2,0,0]=4 3481 B13R1.52 CNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_200000210301 [0,1,0,0,0,1|2,0,0]=4 3482 B13R1.52 CNc1cc(ccc1F)NC(=O)C 34a_106454645589_200000210301 [0,1,0,0,0,1|2,0,0]=4 3483 B13R1.52 COc1cc(ccc1Br)C=C(C)C 271570a_100102525489_100012353699 [0,1,0,0,0,1|2,0,0]=4 3484 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,0,0,0,1|1,0,0]=3 3485 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,0,0,0,1|1,0,0]=3 3486 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,0,0,0,1|1,0,0]=3 3487 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,1,0,0,0,1|1,0,0]=3 3488 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,1,0,0,0,1|1,0,0]=3 3489 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,1,0,0,0,1|1,0,0]=3 3490 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,1,0,0,0,1|1,0,0]=3 3491 B13R1.52 COc1cc(ccc1C)C=C(C)C 271570a_100102525489_100011830276 [0,1,0,0,0,1|2,0,0]=4 3492 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,1,0,0,0,1|1,0,0]=3 3493 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,1,0,0,0,1|1,0,0]=3 3494 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,1,0,0,0,1|1,0,0]=3 3495 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,1,0,0,0,1|1,0,0]=3 3496 B13R1.52 COc1cc(ccc1Cl)C=C(C)C 271570a_100102525489_100011356853 [0,1,0,0,0,1|2,0,0]=4 3497 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,0,0,0,1|1,0,0]=3 3498 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,1,0,0,0,1|1,0,0]=3 3499 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,1,0,0,0,1|1,0,0]=3 3500 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,1,0,0,0,1|1,0,0]=3 3501 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,1,0,0,0,1|1,0,0]=3 3502 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,1,0,0,0,1|1,0,0]=3 3503 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,1,0,0,0,1|1,0,0]=3 3504 B13R1.52 COc1cc(ccc1F)C=C(C)C 271570a_100102525489_100011934186 [0,1,0,0,0,1|2,0,0]=4 3505 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,0,0,0,1|1,0,0]=3 3506 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,0,0,0,1|1,0,0]=3 3507 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,0,0,0,1|1,0,0]=3 3508 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,1,0,0,0,1|1,0,0]=3 3509 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,1,0,0,0,1|1,0,0]=3 3510 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,1,0,0,0,1|1,0,0]=3 3511 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,1,0,0,0,1|1,0,0]=3 3512 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,1,0,0,0,1|1,0,0]=3 3513 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,1,0,0,0,1|1,0,0]=3 3514 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,1,0,0,0,1|1,0,0]=3 3515 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,1,0,0,0,1|1,0,0]=3 3516 B13R1.52 COc1cc(ccc1N)C=C(C)C 271570a_100102525489_100011279103 [0,1,0,0,0,1|2,0,0]=4 3517 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,0,1|2,0,0]=4 3518 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,1|1,0,0]=3 3519 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,1|1,0,0]=3 3520 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,1|1,0,0]=3 3521 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,1|1,0,0]=3 3522 B13R1.52 COc1nc(ccc1Br)CC(=O)C 1458a_100000070787_200010066506 [0,1,0,0,0,1|2,0,0]=4 3523 B13R1.52 CSc1cc(ccc1C)NC(=O)C 62a_200000210301_100011221169 [0,1,0,0,0,1|1,1,0]=4 3524 B13R1.52 CSc1cc(ccc1C)OC(=O)C 62a_200000210301_200025702335 [0,1,0,0,0,1|1,1,0]=4 3525 B13R1.52 CSc1cc(ccc1F)NC(=O)C 62a_200000210301_100012348134 [0,1,0,0,0,1|1,1,0]=4 3526 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,0,0,0,1|1,1,0]=4 3527 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,0,0,0,1|1,1,0]=4 3528 B13R1.56 CC(=O)Oc1cc(cc(c1)S[13CH3])F 62a_200015324874_200025704644 [0,1,0,0,0,1|1,1,0]=4 3529 B13R1.56 CC(=O)Oc1cc(cc(c1)S[13CH3])F 62a_200025704644_200015324874 [0,1,0,0,0,1|1,1,0]=4 3530 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 11a_100010074814_100015343762 [0,1,0,0,0,1|2,0,0]=4 3531 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 1626a_100010074814_100015343762 [0,1,0,0,0,1|2,0,0]=4 3532 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 22a_100010074814_100000070787 [0,1,0,0,0,1|2,0,0]=4 3533 B13R1.56 CCc1cc(cc(c1)NC(=O)C)Br 527a_100010074814_100103153847 [0,1,0,0,0,1|2,0,0]=4 3534 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 11a_100012022893_100015343762 [0,1,0,0,0,1|2,0,0]=4 3535 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 1626a_100012022893_100015343762 [0,1,0,0,0,1|2,0,0]=4 3536 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 22a_100012022893_100000070787 [0,1,0,0,0,1|2,0,0]=4 3537 B13R1.56 CCc1cc(cc(c1)NC(=O)C)C 527a_100012022893_100103153847 [0,1,0,0,0,1|2,0,0]=4 3538 B13R1.56 CCc1cc(cc(c1)NC(=O)C)O 271570a_203496583355_200011092971 [0,1,0,0,0,1|2,0,0]=4 3539 B13R1.56 COc1cc(cc(c1)C=C(C)C)Br 271570a_100102525489_100010141301 [0,1,0,0,0,1|2,0,0]=4 3540 B13R1.56 COc1cc(cc(c1)C=C(C)C)C 271570a_100102525489_100010187550 [0,1,0,0,0,1|2,0,0]=4 3541 B13R1.56 COc1cc(cc(c1)C=C(C)C)Cl 271570a_100102525489_100010147680 [0,1,0,0,0,1|2,0,0]=4 3542 B13R1.56 COc1cc(cc(c1)C=C(C)C)F 271570a_100102525489_100011934182 [0,1,0,0,0,1|2,0,0]=4 3543 B13R1.56 COc1cc(cc(c1)C=C(C)C)N 271570a_100102525489_100000750983 [0,1,0,0,0,1|2,0,0]=4 3544 B13R1.56 COc1cc(cc(c1)C=C(C)C)O 271570a_100102525489_100010068927 [0,1,0,0,0,1|2,0,0]=4 3545 B13R1.56 COc1cc(cc(c1)CC(=O)C)Br 1458a_100000070787_100010162483 [0,1,0,0,0,1|1,0,0]=3 3546 B13R1.56 COc1cc(cc(c1)CC(=O)C)Cl 1458a_100000070787_100010188059 [0,1,0,0,0,1|1,0,0]=3 3547 B13R1.56 COc1cc(cc(c1)CC(=O)C)F 1458a_100000070787_100011934817 [0,1,0,0,0,1|1,0,0]=3 3548 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 11a_100000750983_100015343762 [0,1,0,0,0,1|1,0,0]=3 3549 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 1626a_100000750983_100015343762 [0,1,0,0,0,1|1,0,0]=3 3550 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 22a_100000750983_100000070787 [0,1,0,0,0,1|1,0,0]=3 3551 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br 527a_100000750983_100103153847 [0,1,0,0,0,1|1,0,0]=3 3552 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 11a_100012001870_100015343762 [0,1,0,0,0,1|1,0,0]=3 3553 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 1626a_100012001870_100015343762 [0,1,0,0,0,1|1,0,0]=3 3554 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 22a_100012001870_100000070787 [0,1,0,0,0,1|1,0,0]=3 3555 B13R1.56 COc1cc(cc(c1)NC(=O)C)C 527a_100012001870_100103153847 [0,1,0,0,0,1|1,0,0]=3 3556 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 11a_100000051436_100015343762 [0,1,0,0,0,1|1,0,0]=3 3557 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 1626a_100000051436_100015343762 [0,1,0,0,0,1|1,0,0]=3 3558 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 22a_100000051436_100000070787 [0,1,0,0,0,1|1,0,0]=3 3559 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl 527a_100000051436_100103153847 [0,1,0,0,0,1|1,0,0]=3 3560 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 11a_100000687699_100015343762 [0,1,0,0,0,1|1,0,0]=3 3561 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 1626a_100000687699_100015343762 [0,1,0,0,0,1|1,0,0]=3 3562 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 22a_100000687699_100000070787 [0,1,0,0,0,1|1,0,0]=3 3563 B13R1.56 COc1cc(cc(c1)NC(=O)C)F 527a_100000687699_100103153847 [0,1,0,0,0,1|1,0,0]=3 3564 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 1626a_200000692186_100015343762 [0,1,0,0,0,1|1,0,0]=3 3565 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 22a_200000692186_100000070787 [0,1,0,0,0,1|1,0,0]=3 3566 B13R1.56 COc1cc(cc(c1)NC(=O)C)O 527a_200000692186_100103153847 [0,1,0,0,0,1|1,0,0]=3 3567 B13R1.56 COc1cc(cc(n1)C)CC(=O)C 1458a_100000070787_200012183585 [0,1,0,0,0,1|2,0,0]=4 3568 B13R1.56 CSc1cc(cc(c1)OC(=O)C)F 62a_200000210301_200015324874 [0,1,0,0,0,1|1,1,0]=4 3569 B13R1.56 CSc1cc(cc(c1)OC(=O)C)F 62a_200015324874_200000210301 [0,1,0,0,0,1|1,1,0]=4 3570 B13R1.80 COc1cccc(c1)NS(=O)(=O)C 40a_100000210024_100000738038 [0,1,0,0,0,1|1,0,1]=4 3571 B13R1.81 C#CC(=O)Cc1cc(ccn1)OC 1458a_100000211873_100000752681 [0,1,0,0,0,1|2,0,0]=4 3572 B13R1.81 C#CC(=O)Cc1cccc(c1)OC 1458a_100000211873_100000211672 [0,1,0,0,0,1|1,0,0]=3 3573 B13R1.81 C#CC(=O)Cc1cccc(n1)OC 1458a_100000211873_100000755263 [0,1,0,0,0,1|2,0,0]=4 3574 B13R1.81 C#CC(=O)Cc1ccnc(c1)OC 1458a_100000211873_100103152439 [0,1,0,0,0,1|2,0,0]=4 3575 B13R1.81 C#Cc1cccc(c1)NC(=O)CO 22a_100000735509_100000210174 [0,1,0,0,0,1|1,0,1]=4 3576 B13R1.81 C#Cc1cccc(c1)NC(=O)CO 527a_100000735509_100000210174 [0,1,0,0,0,1|1,0,1]=4 3577 B13R1.81 C=CC(=O)Cc1cc(ccn1)OC 1458a_100000185746_100000752681 [0,1,0,0,0,1|2,0,0]=4 3578 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [0,1,0,0,0,1|1,0,0]=3 3579 B13R1.81 C=CC(=O)Cc1cccc(n1)OC 1458a_100000185746_100000755263 [0,1,0,0,0,1|2,0,0]=4 3580 B13R1.81 C=CC(=O)Cc1ccnc(c1)OC 1458a_100000185746_100103152439 [0,1,0,0,0,1|2,0,0]=4 3581 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000185746 [0,1,0,0,0,1|2,0,0]=4 3582 B13R1.81 C=CC(=O)Nc1cccc(c1)CC 22a_100000211250_100000185746 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.81 C=CC(=O)Nc1cccc(c1)NC 34a_100012282147_200000210301 [0,1,0,0,0,1|2,0,0]=4 3584 B13R1.81 C=CC(=O)Nc1cccc(c1)N[13CH3] 34a_100012282147_200025704644 [0,1,0,0,0,1|2,0,0]=4 3585 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [0,1,0,0,0,1|1,0,0]=3 3586 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [0,1,0,0,0,1|1,0,0]=3 3587 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [0,1,0,0,0,1|1,0,0]=3 3588 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [0,1,0,0,0,1|1,0,0]=3 3589 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [0,1,0,0,0,1|1,0,0]=3 3590 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [0,1,0,0,0,1|1,0,0]=3 3591 B13R1.81 C=CC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000185746 [0,1,0,0,0,1|1,1,0]=4 3592 B13R1.81 C=CC(=O)Nc1cccc(c1)SC 22a_100000210049_100000185746 [0,1,0,0,0,1|1,1,0]=4 3593 B13R1.81 C=Cc1cccc(c1)CC(=O)OC 271570a_100011290941_100000699549 [0,1,0,0,0,1|1,0,1]=4 3594 B13R1.81 C=Cc1cccc(c1)NC(=O)CO 22a_100011827668_100000210174 [0,1,0,0,0,1|1,0,1]=4 3595 B13R1.81 C=Cc1cccc(c1)NC(=O)CO 527a_100011827668_100000210174 [0,1,0,0,0,1|1,0,1]=4 3596 B13R1.81 CCC(=O)Cc1cc(ccn1)OC 1458a_100000210414_100000752681 [0,1,0,0,0,1|2,0,0]=4 3597 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000210414_100000211672 [0,1,0,0,0,1|1,0,0]=3 3598 B13R1.81 CCC(=O)Cc1cccc(c1)OC 1458a_100000211281_100000210202 [0,1,0,0,0,1|1,0,0]=3 3599 B13R1.81 CCC(=O)Cc1cccc(c1)SC 1458a_100000035702_100000210202 [0,1,0,0,0,1|1,1,0]=4 3600 B13R1.81 CCC(=O)Cc1cccc(n1)OC 1458a_100000210414_100000755263 [0,1,0,0,0,1|2,0,0]=4 3601 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000210414_100103152439 [0,1,0,0,0,1|2,0,0]=4 3602 B13R1.81 CCC(=O)Cc1ccnc(c1)OC 1458a_100000718155_100000210202 [0,1,0,0,0,1|2,0,0]=4 3603 B13R1.81 CCC(=O)Nc1cccc(c1)CC 11a_100000211250_100000210414 [0,1,0,0,0,1|2,0,0]=4 3604 B13R1.81 CCC(=O)Nc1cccc(c1)CC 1626a_100000211250_100000210414 [0,1,0,0,0,1|2,0,0]=4 3605 B13R1.81 CCC(=O)Nc1cccc(c1)CC 22a_100000211250_100000210414 [0,1,0,0,0,1|2,0,0]=4 3606 B13R1.81 CCC(=O)Nc1cccc(c1)CC 527a_100000211250_100000210414 [0,1,0,0,0,1|2,0,0]=4 3607 B13R1.81 CCC(=O)Nc1cccc(c1)NC 34a_100000186510_200000210301 [0,1,0,0,0,1|2,0,0]=4 3608 B13R1.81 CCC(=O)Nc1cccc(c1)N[13CH3] 34a_100000186510_200025704644 [0,1,0,0,0,1|2,0,0]=4 3609 B13R1.81 CCC(=O)Nc1cccc(c1)OC 11a_100000210024_100000210414 [0,1,0,0,0,1|1,0,0]=3 3610 B13R1.81 CCC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000210414 [0,1,0,0,0,1|1,0,0]=3 3611 B13R1.81 CCC(=O)Nc1cccc(c1)OC 22a_100000210024_100000210414 [0,1,0,0,0,1|1,0,0]=3 3612 B13R1.81 CCC(=O)Nc1cccc(c1)OC 34a_100000158609_200000210301 [0,1,0,0,0,1|1,0,0]=3 3613 B13R1.81 CCC(=O)Nc1cccc(c1)OC 527a_100000210024_100000210414 [0,1,0,0,0,1|1,0,0]=3 3614 B13R1.81 CCC(=O)Nc1cccc(c1)OC 7a_100000158609_200000210301 [0,1,0,0,0,1|1,0,0]=3 3615 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158609_200025704644 [0,1,0,0,0,1|1,0,0]=3 3616 B13R1.81 CCC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158609_200025704644 [0,1,0,0,0,1|1,0,0]=3 3617 B13R1.81 CCC(=O)Nc1cccc(c1)SC 11a_100000210049_100000210414 [0,1,0,0,0,1|1,1,0]=4 3618 B13R1.81 CCC(=O)Nc1cccc(c1)SC 1626a_100000210049_100000210414 [0,1,0,0,0,1|1,1,0]=4 3619 B13R1.81 CCC(=O)Nc1cccc(c1)SC 22a_100000210049_100000210414 [0,1,0,0,0,1|1,1,0]=4 3620 B13R1.81 CCC(=O)Nc1cccc(c1)SC 527a_100000210049_100000210414 [0,1,0,0,0,1|1,1,0]=4 3621 B13R1.81 CCc1cccc(c1)NC(=O)CO 22a_100000211250_100000210174 [0,1,0,0,0,1|1,0,0]=3 3622 B13R1.81 CCc1cccc(c1)NC(=O)CO 527a_100000211250_100000210174 [0,1,0,0,0,1|1,0,0]=3 3623 B13R1.81 CCc1cccc(c1)NC(=O)NC 2430a_100000211250_100102657272 [0,1,0,0,0,1|2,0,0]=4 3624 B13R1.81 CCc1cccc(c1)NC(=O)NC 512a_100000211250_100102657272 [0,1,0,0,0,1|2,0,0]=4 3625 B13R1.81 CNC(=O)Cc1cccc(c1)NC 2230a_100011690097_200000210301 [0,1,0,0,0,1|2,0,0]=4 3626 B13R1.81 CNC(=O)Cc1cccc(c1)NC 34a_100011690097_200000210301 [0,1,0,0,0,1|2,0,0]=4 3627 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 2230a_100011690097_200025704644 [0,1,0,0,0,1|2,0,0]=4 3628 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 34a_100011690097_200025704644 [0,1,0,0,0,1|2,0,0]=4 3629 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [0,1,0,0,0,1|1,0,0]=3 3630 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [0,1,0,0,0,1|1,0,0]=3 3631 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [0,1,0,0,0,1|1,0,0]=3 3632 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [0,1,0,0,0,1|1,0,0]=3 3633 B13R1.81 CNC(=O)Cc1cccc(c1)SC 11a_106832991635_100000035702 [0,1,0,0,0,1|1,1,0]=4 3634 B13R1.81 CNC(=O)Cc1cccc(c1)SC 1626a_100102657272_100000035702 [0,1,0,0,0,1|1,1,0]=4 3635 B13R1.81 CNC(=O)Cc1cccc(c1)SC 240690a_100102657272_100000035702 [0,1,0,0,0,1|1,1,0]=4 3636 B13R1.81 CNC(=O)Cc1cccc(c1)SC 527a_100102657272_100000035702 [0,1,0,0,0,1|1,1,0]=4 3637 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 11a_106832991635_100000718155 [0,1,0,0,0,1|2,0,0]=4 3638 B13R1.81 CNC(=O)Cc1ccnc(c1)OC 240690a_100102657272_100000718155 [0,1,0,0,0,1|2,0,0]=4 3639 B13R1.81 CNC(=O)Nc1cccc(c1)OC 2430a_100000210024_100102657272 [0,1,0,0,0,1|1,0,0]=3 3640 B13R1.81 CNC(=O)Nc1cccc(c1)OC 512a_100000210024_100102657272 [0,1,0,0,0,1|1,0,0]=3 3641 B13R1.81 CNC(=O)Nc1cccc(c1)SC 2430a_100000210049_100102657272 [0,1,0,0,0,1|1,1,0]=4 3642 B13R1.81 CNC(=O)Nc1cccc(c1)SC 512a_100000210049_100102657272 [0,1,0,0,0,1|1,1,0]=4 3643 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_100010275543_200000210301 [0,1,0,0,0,1|1,1,0]=4 3644 B13R1.81 COC(=O)Cc1cc(ccn1)SC 62a_200000210301_100010275543 [0,1,0,0,0,1|1,1,0]=4 3645 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_100010275543_200025704644 [0,1,0,0,0,1|1,1,0]=4 3646 B13R1.81 COC(=O)Cc1cc(ccn1)S[13CH3] 62a_200025704644_100010275543 [0,1,0,0,0,1|1,1,0]=4 3647 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_100000699549_200000210301 [0,1,0,0,0,1|0,1,0]=3 3648 B13R1.81 COC(=O)Cc1cccc(c1)SC 62a_200000210301_100000699549 [0,1,0,0,0,1|0,1,0]=3 3649 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_100000699549_200025704644 [0,1,0,0,0,1|0,1,0]=3 3650 B13R1.81 COC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000699549 [0,1,0,0,0,1|0,1,0]=3 3651 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_100000094215_200000210301 [0,1,0,0,0,1|1,1,0]=4 3652 B13R1.81 COC(=O)Cc1cccc(n1)SC 62a_200000210301_100000094215 [0,1,0,0,0,1|1,1,0]=4 3653 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_100000094215_200025704644 [0,1,0,0,0,1|1,1,0]=4 3654 B13R1.81 COC(=O)Cc1cccc(n1)S[13CH3] 62a_200025704644_100000094215 [0,1,0,0,0,1|1,1,0]=4 3655 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_100010135589_200000210301 [0,1,0,0,0,1|1,1,0]=4 3656 B13R1.81 COC(=O)Cc1ccnc(c1)SC 62a_200000210301_100010135589 [0,1,0,0,0,1|1,1,0]=4 3657 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_100010135589_200025704644 [0,1,0,0,0,1|1,1,0]=4 3658 B13R1.81 COC(=O)Cc1ccnc(c1)S[13CH3] 62a_200025704644_100010135589 [0,1,0,0,0,1|1,1,0]=4 3659 B13R1.81 COC(=O)Nc1cccc(c1)OC 34a_100000741004_200000210301 [0,1,0,0,0,1|0,0,0]=2 3660 B13R1.81 COC(=O)Nc1cccc(c1)OC 7a_100000741004_200000210301 [0,1,0,0,0,1|0,0,0]=2 3661 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 34a_100000741004_200025704644 [0,1,0,0,0,1|0,0,0]=2 3662 B13R1.81 COC(=O)Nc1cccc(c1)O[13CH3] 7a_100000741004_200025704644 [0,1,0,0,0,1|0,0,0]=2 3663 B13R1.81 COc1cc(ccn1)CC(=O)CF 1458a_100000718155_100015361967 [0,1,0,0,0,1|2,0,0]=4 3664 B13R1.81 COc1cc(ccn1)CC(=O)CO 1458a_100000210174_100103152439 [0,1,0,0,0,1|1,0,0]=3 3665 B13R1.81 COc1cccc(c1)CC(=O)CF 1458a_100000211281_100015361967 [0,1,0,0,0,1|1,0,0]=3 3666 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [0,1,0,0,0,1|0,0,0]=2 3667 B13R1.81 COc1cccc(c1)CC(=O)NN 34a_100011472680_200000210301 [0,1,0,0,0,1|1,0,0]=3 3668 B13R1.81 COc1cccc(c1)NC(=O)CCl 34a_100011236192_200000210301 [0,1,0,0,0,1|1,0,0]=3 3669 B13R1.81 COc1cccc(c1)NC(=O)CCl 7a_100011236192_200000210301 [0,1,0,0,0,1|1,0,0]=3 3670 B13R1.81 COc1cccc(c1)NC(=O)CO 22a_100000210024_100000210174 [0,1,0,0,0,1|0,0,0]=2 3671 B13R1.81 COc1cccc(c1)NC(=O)CO 527a_100000210024_100000210174 [0,1,0,0,0,1|0,0,0]=2 3672 B13R1.81 COc1cccc(c1)NC(C)CO 34a_100000210024_100012180447 [0,1,0,0,0,1|1,0,1]=4 3673 B13R1.81 COc1cccc(c1)OC(C)CO 34a_100000211255_100012180447 [0,1,0,0,0,1|1,0,1]=4 3674 B13R1.81 COc1cccc(c1)OC(C)CO 7a_100000211255_100012180447 [0,1,0,0,0,1|1,0,1]=4 3675 B13R1.81 COc1cccc(c1)SC(C)CO 62a_100012180447_100000170001 [0,1,0,0,0,1|1,0,1]=4 3676 B13R1.81 COc1cccc(c1)SC(C)OC 62a_100009879195_100000170001 [0,1,0,0,0,1|1,0,1]=4 3677 B13R1.81 COc1cccc(c1)S[C@H](C)CO 62a_100016084084_100000170001 [0,1,0,0,0,1|1,0,1]=4 3678 B13R1.81 COc1cccc(n1)CC(=O)CO 1458a_100000210174_100000755263 [0,1,0,0,0,1|1,0,0]=3 3679 B13R1.81 COc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000752681 [0,1,0,0,0,1|1,0,0]=3 3680 B13R1.81 CSc1cccc(c1)CC(=O)CF 1458a_100000035702_100015361967 [0,1,0,0,0,1|1,1,0]=4 3681 B13R1.81 CSc1cccc(c1)NC(=O)CO 22a_100000210049_100000210174 [0,1,0,0,0,1|0,1,0]=3 3682 B13R1.81 CSc1cccc(c1)NC(=O)CO 527a_100000210049_100000210174 [0,1,0,0,0,1|0,1,0]=3 3683 B13R1.81 N#Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000233786 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.81 N#Cc1cccc(c1)NC(=O)CO 22a_100000210922_100000210174 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.81 N#Cc1cccc(c1)NC(=O)CO 527a_100000210922_100000210174 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.81 O=C(CO)Cc1cccc(c1)CO 1458a_100000210174_100010188025 [0,1,0,0,0,1|2,0,0]=4 3687 B13R1.81 O=C(CO)Nc1cccc(c1)CF 22a_100000126320_100000210174 [0,1,0,0,0,1|2,0,0]=4 3688 B13R1.81 O=C(CO)Nc1cccc(c1)CF 527a_100000126320_100000210174 [0,1,0,0,0,1|2,0,0]=4 3689 B13R1.81 O=C(CO)Nc1cccc(c1)CO 22a_100000211919_100000210174 [0,1,0,0,0,1|2,0,0]=4 3690 B13R1.81 O=Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100009816774 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.81 [13CH3]Oc1cccc(c1)CC(=O)NN 34a_100011472680_200025704644 [0,1,0,0,0,1|1,0,0]=3 3692 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 34a_100011236192_200025704644 [0,1,0,0,0,1|1,0,0]=3 3693 B13R1.81 [13CH3]Oc1cccc(c1)NC(=O)CCl 7a_100011236192_200025704644 [0,1,0,0,0,1|1,0,0]=3 3694 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,1,0,0,0,1|1,1,0]=4 3695 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,1,0,0,0,1|1,1,0]=4 3696 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 34a_100000740626_200025704644 [0,1,0,0,0,1|2,0,0]=4 3697 B13R1.97 CC(=O)Nc1cc(ccc1C)N[13CH3] 7a_100000740626_200025704644 [0,1,0,0,0,1|2,0,0]=4 3698 B13R1.97 CC(=O)Nc1cc(ccc1C)S[13CH3] 62a_200025704644_100011344836 [0,1,0,0,0,1|1,1,0]=4 3699 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 34a_100000745429_200025704644 [0,1,0,0,0,1|2,0,0]=4 3700 B13R1.97 CC(=O)Nc1cc(ccc1Cl)N[13CH3] 7a_100000745429_200025704644 [0,1,0,0,0,1|2,0,0]=4 3701 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 34a_100000736141_200025704644 [0,1,0,0,0,1|2,0,0]=4 3702 B13R1.97 CC(=O)Nc1cc(ccc1F)N[13CH3] 7a_100000736141_200025704644 [0,1,0,0,0,1|2,0,0]=4 3703 B13R1.97 CC(=O)Nc1cc(ccc1F)S[13CH3] 62a_200025704644_200011951791 [0,1,0,0,0,1|1,1,0]=4 3704 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,1,0,0,0,1|2,0,0]=4 3705 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,1,0,0,0,1|2,0,0]=4 3706 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_100103282185_200025704644 [0,1,0,0,0,1|1,1,0]=4 3707 B13R1.97 CC(=O)Oc1cc(ccc1C)S[13CH3] 62a_200025704644_100103282185 [0,1,0,0,0,1|1,1,0]=4 3708 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 11a_200012022522_100015343762 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 1626a_200012022522_100015343762 [0,1,0,0,0,1|2,0,0]=4 3710 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 22a_200012022522_100000070787 [0,1,0,0,0,1|2,0,0]=4 3711 B13R1.97 CCc1ccc(c(c1)NC(=O)C)C 527a_200012022522_100103153847 [0,1,0,0,0,1|2,0,0]=4 3712 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,1,0,0,0,1|2,0,0]=4 3713 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,1,0,0,0,1|2,0,0]=4 3714 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 34a_100000740626_200000210301 [0,1,0,0,0,1|2,0,0]=4 3715 B13R1.97 CNc1ccc(c(c1)NC(=O)C)C 7a_100000740626_200000210301 [0,1,0,0,0,1|2,0,0]=4 3716 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 34a_100000745429_200000210301 [0,1,0,0,0,1|2,0,0]=4 3717 B13R1.97 CNc1ccc(c(c1)NC(=O)C)Cl 7a_100000745429_200000210301 [0,1,0,0,0,1|2,0,0]=4 3718 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 34a_100000736141_200000210301 [0,1,0,0,0,1|2,0,0]=4 3719 B13R1.97 CNc1ccc(c(c1)NC(=O)C)F 7a_100000736141_200000210301 [0,1,0,0,0,1|2,0,0]=4 3720 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,1,0,0,0,1|2,0,0]=4 3721 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,1,0,0,0,1|2,0,0]=4 3722 B13R1.97 COc1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100009992028 [0,1,0,0,0,1|2,0,0]=4 3723 B13R1.97 COc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100012349166 [0,1,0,0,0,1|2,0,0]=4 3724 B13R1.97 COc1ccc(c(c1)C=C(C)C)Cl 271570a_100102525489_100011356938 [0,1,0,0,0,1|2,0,0]=4 3725 B13R1.97 COc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000699733 [0,1,0,0,0,1|2,0,0]=4 3726 B13R1.97 COc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100015195136 [0,1,0,0,0,1|2,0,0]=4 3727 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [0,1,0,0,0,1|2,0,0]=4 3728 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000070787_100000761528 [0,1,0,0,0,1|1,0,0]=3 3729 B13R1.97 COc1ccc(c(c1)CC(=O)C)Br 1458a_100000690513_200000210301 [0,1,0,0,0,1|1,0,0]=3 3730 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100000070787_100000718613 [0,1,0,0,0,1|1,0,0]=3 3731 B13R1.97 COc1ccc(c(c1)CC(=O)C)Cl 1458a_100010217559_200000210301 [0,1,0,0,0,1|1,0,0]=3 3732 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100000070787_100010243555 [0,1,0,0,0,1|1,0,0]=3 3733 B13R1.97 COc1ccc(c(c1)CC(=O)C)F 1458a_100009868546_200000210301 [0,1,0,0,0,1|1,0,0]=3 3734 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100000690513_200025704644 [0,1,0,0,0,1|1,0,0]=3 3735 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])Cl 1458a_100010217559_200025704644 [0,1,0,0,0,1|1,0,0]=3 3736 B13R1.97 COc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100009868546_200025704644 [0,1,0,0,0,1|1,0,0]=3 3737 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 11a_100000748603_100015343762 [0,1,0,0,0,1|1,0,0]=3 3738 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 1626a_100000748603_100015343762 [0,1,0,0,0,1|1,0,0]=3 3739 B13R1.97 COc1ccc(c(c1)NC(=O)C)Br 22a_100000748603_100000070787 [0,1,0,0,0,1|1,0,0]=3 3740 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 11a_100000760359_100015343762 [0,1,0,0,0,1|1,0,0]=3 3741 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 1626a_100000760359_100015343762 [0,1,0,0,0,1|1,0,0]=3 3742 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 22a_100000760359_100000070787 [0,1,0,0,0,1|1,0,0]=3 3743 B13R1.97 COc1ccc(c(c1)NC(=O)C)C 527a_100000760359_100103153847 [0,1,0,0,0,1|1,0,0]=3 3744 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 11a_100000745576_100015343762 [0,1,0,0,0,1|1,0,0]=3 3745 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 1626a_100000745576_100015343762 [0,1,0,0,0,1|1,0,0]=3 3746 B13R1.97 COc1ccc(c(c1)NC(=O)C)Cl 22a_100000745576_100000070787 [0,1,0,0,0,1|1,0,0]=3 3747 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 11a_100000764331_100015343762 [0,1,0,0,0,1|1,0,0]=3 3748 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 1626a_100000764331_100015343762 [0,1,0,0,0,1|1,0,0]=3 3749 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 22a_100000764331_100000070787 [0,1,0,0,0,1|1,0,0]=3 3750 B13R1.97 COc1ccc(c(c1)NC(=O)C)F 527a_100000764331_100103153847 [0,1,0,0,0,1|1,0,0]=3 3751 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 11a_100000748021_100015343762 [0,1,0,0,0,1|1,0,0]=3 3752 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 1626a_100000748021_100015343762 [0,1,0,0,0,1|1,0,0]=3 3753 B13R1.97 COc1ccc(c(c1)NC(=O)C)I 22a_100000748021_100000070787 [0,1,0,0,0,1|1,0,0]=3 3754 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,1,0,0,0,1|1,0,0]=3 3755 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,1,0,0,0,1|1,0,0]=3 3756 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,1,0,0,0,1|1,0,0]=3 3757 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,1,0,0,0,1|1,1,0]=4 3758 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,1,0,0,0,1|1,1,0]=4 3759 B13R1.97 CSc1ccc(c(c1)NC(=O)C)C 62a_200000210301_100011344836 [0,1,0,0,0,1|1,1,0]=4 3760 B13R1.97 CSc1ccc(c(c1)NC(=O)C)F 62a_200000210301_200011951791 [0,1,0,0,0,1|1,1,0]=4 3761 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_100103282185_200000210301 [0,1,0,0,0,1|1,1,0]=4 3762 B13R1.97 CSc1ccc(c(c1)OC(=O)C)C 62a_200000210301_100103282185 [0,1,0,0,0,1|1,1,0]=4 3763 B13R1.373 CC(=O)Cc1cccc(c1)SCF 62a_100000689217_100015361967 [0,1,0,0,0,1|1,1,0]=4 3764 B13R1.373 CC(=O)Cc1cccc(c1)SCF 62a_100015361967_100000689217 [0,1,0,0,0,1|1,1,0]=4 3765 B13R1.373 CC(=O)Nc1cccc(c1)CCO 22a_100011996697_100000070787 [0,1,0,0,0,1|2,0,0]=4 3766 B13R1.373 CC(=O)Nc1cccc(c1)CCO 527a_100011996697_100103153847 [0,1,0,0,0,1|2,0,0]=4 3767 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 2230a_100000740035_200025704644 [0,1,0,0,0,1|2,0,0]=4 3768 B13R1.373 CC(=O)Nc1cccc(c1)CN[13CH3] 34a_100000740035_200025704644 [0,1,0,0,0,1|2,0,0]=4 3769 B13R1.373 CC(=O)Nc1cccc(c1)NCF 34a_100000749408_100015361967 [0,1,0,0,0,1|2,0,0]=4 3770 B13R1.373 CC(=O)Nc1cccc(c1)OCF 34a_100000158604_100015361967 [0,1,0,0,0,1|1,0,0]=3 3771 B13R1.373 CC(=O)Nc1cccc(c1)OCF 7a_100000158604_100015361967 [0,1,0,0,0,1|1,0,0]=3 3772 B13R1.373 CC(=O)Nc1cccc(c1)SCF 62a_100015361967_100000153616 [0,1,0,0,0,1|1,1,0]=4 3773 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200009816940_200025704644 [0,1,0,0,0,1|1,1,0]=4 3774 B13R1.373 CC(=O)Oc1cccc(c1)CS[13CH3] 62a_200025704644_200009816940 [0,1,0,0,0,1|1,1,0]=4 3775 B13R1.373 CC(=O)Oc1cccc(c1)OCF 7a_100011218754_100015361967 [0,1,0,0,0,1|1,0,0]=3 3776 B13R1.373 CC(=O)Oc1cccc(c1)SCF 62a_100015361967_100009811612 [0,1,0,0,0,1|1,1,0]=4 3777 B13R1.373 CC=Cc1cccc(c1)CC(=O)C 271570a_100016259895_100000689217 [0,1,0,0,0,1|2,0,0]=4 3778 B13R1.373 CC=Cc1cccc(c1)CC(=O)N 271570a_100016259895_100011586816 [0,1,0,0,0,1|2,0,0]=4 3779 B13R1.373 CC=Cc1cccc(c1)NC(=O)C 271570a_100016259895_100000153616 [0,1,0,0,0,1|2,0,0]=4 3780 B13R1.373 CC=Cc1cccc(c1)NC(=O)N 271570a_100016259895_100000238923 [0,1,0,0,0,1|2,0,0]=4 3781 B13R1.373 CC=Cc1cccc(c1)OC(=O)C 271570a_100016259895_100009811612 [0,1,0,0,0,1|2,0,0]=4 3782 B13R1.373 CCNc1cccc(c1)CC(=O)N 2230a_200011690101_100000210202 [0,1,0,0,0,1|2,0,0]=4 3783 B13R1.373 CCNc1cccc(c1)CC(=O)N 34a_200011690101_100000210202 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.373 CCNc1cccc(c1)NC(=O)C 34a_100000749408_100000210202 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.373 CCNc1cccc(c1)NC(=O)N 34a_100000736001_100000210202 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.373 CCOc1cccc(c1)C=C(C)C 271570a_100102525489_100000170002 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.373 CCOc1cccc(c1)CC(=O)C 1458a_100000690747_200000210301 [0,1,0,0,0,1|1,0,0]=3 3788 B13R1.373 CCOc1cccc(c1)CC(=O)N 34a_200000747573_100000210202 [0,1,0,0,0,1|1,0,0]=3 3789 B13R1.373 CCOc1cccc(c1)CC(=O)N 7a_200000747573_100000210202 [0,1,0,0,0,1|1,0,0]=3 3790 B13R1.373 CCOc1cccc(c1)CC(=O)[13CH3] 1458a_100000690747_200025704644 [0,1,0,0,0,1|1,0,0]=3 3791 B13R1.373 CCOc1cccc(c1)NC(=O)C 11a_100000742568_100015343762 [0,1,0,0,0,1|1,0,0]=3 3792 B13R1.373 CCOc1cccc(c1)NC(=O)C 1626a_100000742568_100015343762 [0,1,0,0,0,1|1,0,0]=3 3793 B13R1.373 CCOc1cccc(c1)NC(=O)C 22a_100000742568_100000070787 [0,1,0,0,0,1|1,0,0]=3 3794 B13R1.373 CCOc1cccc(c1)NC(=O)C 34a_100000158604_100000210202 [0,1,0,0,0,1|1,0,0]=3 3795 B13R1.373 CCOc1cccc(c1)NC(=O)C 527a_100000742568_100103153847 [0,1,0,0,0,1|1,0,0]=3 3796 B13R1.373 CCOc1cccc(c1)NC(=O)C 7a_100000158604_100000210202 [0,1,0,0,0,1|1,0,0]=3 3797 B13R1.373 CCOc1cccc(c1)NC(=O)N 34a_100011219624_100000210202 [0,1,0,0,0,1|1,0,0]=3 3798 B13R1.373 CCOc1cccc(c1)NC(=O)N 7a_100011219624_100000210202 [0,1,0,0,0,1|1,0,0]=3 3799 B13R1.373 CCOc1cccc(c1)NC(=S)N 7a_100000023991_100000210202 [0,1,0,0,0,1|1,1,0]=4 3800 B13R1.373 CCOc1cccc(c1)OC(=O)C 7a_100011218754_100000210202 [0,1,0,0,0,1|1,0,0]=3 3801 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000210202_100000689217 [0,1,0,0,0,1|1,1,0]=4 3802 B13R1.373 CCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210202 [0,1,0,0,0,1|1,1,0]=4 3803 B13R1.373 CCSc1cccc(c1)CC(=O)N 62a_100000210202_100011586816 [0,1,0,0,0,1|1,1,0]=4 3804 B13R1.373 CCSc1cccc(c1)CC(=O)N 62a_100011586816_100000210202 [0,1,0,0,0,1|1,1,0]=4 3805 B13R1.373 CCSc1cccc(c1)NC(=O)C 62a_100000210202_100000153616 [0,1,0,0,0,1|1,1,0]=4 3806 B13R1.373 CCSc1cccc(c1)NC(=O)N 62a_100000210202_100000238923 [0,1,0,0,0,1|1,1,0]=4 3807 B13R1.373 CCSc1cccc(c1)OC(=O)C 62a_100000210202_100009811612 [0,1,0,0,0,1|1,1,0]=4 3808 B13R1.373 CNCc1cccc(c1)NC(=O)C 207a_100102657272_100011257792 [0,1,0,0,0,1|2,0,0]=4 3809 B13R1.373 CNCc1cccc(c1)NC(=O)C 2230a_100000740035_200000210301 [0,1,0,0,0,1|2,0,0]=4 3810 B13R1.373 CNCc1cccc(c1)NC(=O)C 270004a_106832991635_100011257792 [0,1,0,0,0,1|2,0,0]=4 3811 B13R1.373 CNCc1cccc(c1)NC(=O)C 34a_100000740035_200000210301 [0,1,0,0,0,1|2,0,0]=4 3812 B13R1.373 CNCc1cccc(c1)OC(=O)C 207a_100102657272_100000014719 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.373 CNCc1cccc(c1)OC(=O)C 2230a_106832991635_200009816940 [0,1,0,0,0,1|2,0,0]=4 3814 B13R1.373 CNCc1cccc(c1)OC(=O)C 270004a_106832991635_100000014719 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.373 CNCc1cccc(c1)OC(=O)C 34a_100102657272_200009816940 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.373 CNCc1cccc(c1)OC(=O)C 7a_106832991635_200009816940 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.373 COCc1cccc(c1)C=C(C)C 271570a_100102525489_100011493687 [0,1,0,0,0,1|2,0,0]=4 3818 B13R1.373 COCc1cccc(c1)NC(=O)C 11a_100000737370_100015343762 [0,1,0,0,0,1|1,0,0]=3 3819 B13R1.373 COCc1cccc(c1)NC(=O)C 1626a_100000737370_100015343762 [0,1,0,0,0,1|1,0,0]=3 3820 B13R1.373 COCc1cccc(c1)NC(=O)C 22a_100000737370_100000070787 [0,1,0,0,0,1|1,0,0]=3 3821 B13R1.373 COCc1cccc(c1)NC(=O)C 527a_100000737370_100103153847 [0,1,0,0,0,1|1,0,0]=3 3822 B13R1.373 COCc1cccc(c1)OC(=O)C 34a_100138415774_200009816940 [0,1,0,0,0,1|1,0,0]=3 3823 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200000210301_200009816940 [0,1,0,0,0,1|1,1,0]=4 3824 B13R1.373 CSCc1cccc(c1)OC(=O)C 62a_200009816940_200000210301 [0,1,0,0,0,1|1,1,0]=4 3825 B13R1.373 NC(=O)Cc1cccc(c1)NCF 34a_200011690101_100015361967 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.373 NC(=O)Cc1cccc(c1)OCF 34a_200000747573_100015361967 [0,1,0,0,0,1|1,0,0]=3 3827 B13R1.373 NC(=O)Cc1cccc(c1)OCF 7a_200000747573_100015361967 [0,1,0,0,0,1|1,0,0]=3 3828 B13R1.373 NC(=O)Cc1cccc(c1)SCF 62a_100011586816_100015361967 [0,1,0,0,0,1|1,1,0]=4 3829 B13R1.373 NC(=O)Cc1cccc(c1)SCF 62a_100015361967_100011586816 [0,1,0,0,0,1|1,1,0]=4 3830 B13R1.373 NC(=O)Nc1cccc(c1)NCF 34a_100000736001_100015361967 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.373 NC(=O)Nc1cccc(c1)OCF 34a_100011219624_100015361967 [0,1,0,0,0,1|1,0,0]=3 3832 B13R1.373 NC(=O)Nc1cccc(c1)OCF 7a_100011219624_100015361967 [0,1,0,0,0,1|1,0,0]=3 3833 B13R1.373 NC(=O)Nc1cccc(c1)SCF 62a_100015361967_100000238923 [0,1,0,0,0,1|1,1,0]=4 3834 B13R1.373 NC(=S)Nc1cccc(c1)OCF 7a_100000023991_100015361967 [0,1,0,0,0,1|1,1,0]=4 3835 B13R1.587 C=C(C)c1cccc(c1)CC(=O)C 271570a_100000694244_100000689217 [0,1,0,0,0,1|2,0,0]=4 3836 B13R1.587 C=C(C)c1cccc(c1)CC(=O)N 271570a_100000694244_100011586816 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.587 C=C(C)c1cccc(c1)NC(=O)C 271570a_100000694244_100000153616 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.587 C=C(C)c1cccc(c1)NC(=O)N 271570a_100000694244_100000238923 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.587 C=C(C)c1cccc(c1)OC(=O)C 271570a_100000694244_100009811612 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.587 CC(=O)Cc1cccc(c1)C(=O)C 1458a_100000070787_100000084091 [0,1,0,0,0,1|2,0,0]=4 3841 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C 1458a_100000188798_200000210301 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)[13CH3] 1458a_100000188798_200025704644 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 11a_100000211879_100015343762 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 1626a_100000211879_100015343762 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 22a_100000211879_100000070787 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 527a_100000211879_100103153847 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 22a_100011217120_100000070787 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.587 CC(=O)Nc1cccc(c1)C(C)O 527a_100011217120_100103153847 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 11a_100000209982_100015343762 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 1626a_100000209982_100015343762 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 22a_100000209982_100000070787 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.587 CC(=O)Nc1cccc(c1)N(C)C 527a_100000209982_100103153847 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.587 CC(=O)c1cccc(c1)NC(=O)N 1458a_100000199042_200000210301 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.587 [13CH3]C(=O)c1cccc(c1)NC(=O)N 1458a_100000199042_200025704644 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 34a_100000736503_200025704644 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.641 CC(=O)Nc1cccc(c1C)N[13CH3] 7a_100000736503_200025704644 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.641 CNc1cccc(c1C)NC(=O)C 34a_100000736503_200000210301 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.641 CNc1cccc(c1C)NC(=O)C 7a_100000736503_200000210301 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.641 COc1cccc(c1Br)NC(=O)C 11a_100000703447_100015343762 [0,1,0,0,0,1|1,0,0]=3 3860 B13R1.641 COc1cccc(c1Br)NC(=O)C 1626a_100000703447_100015343762 [0,1,0,0,0,1|1,0,0]=3 3861 B13R1.641 COc1cccc(c1Br)NC(=O)C 22a_100000703447_100000070787 [0,1,0,0,0,1|1,0,0]=3 3862 B13R1.641 COc1cccc(c1Br)NC(=O)C 527a_100000703447_100103153847 [0,1,0,0,0,1|1,0,0]=3 3863 B13R1.641 COc1cccc(c1C)C=C(C)C 271570a_100102525489_100010002647 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.641 COc1cccc(c1C)CC(=O)C 1458a_100000070787_100009876938 [0,1,0,0,0,1|1,0,0]=3 3865 B13R1.641 COc1cccc(c1C)NC(=O)C 11a_100011244893_100015343762 [0,1,0,0,0,1|1,0,0]=3 3866 B13R1.641 COc1cccc(c1C)NC(=O)C 1626a_100011244893_100015343762 [0,1,0,0,0,1|1,0,0]=3 3867 B13R1.641 COc1cccc(c1C)NC(=O)C 22a_100011244893_100000070787 [0,1,0,0,0,1|1,0,0]=3 3868 B13R1.641 COc1cccc(c1C)NC(=O)C 527a_100011244893_100103153847 [0,1,0,0,0,1|1,0,0]=3 3869 B13R1.641 COc1cccc(c1Cl)C=C(C)C 271570a_100102525489_100010147677 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.641 COc1cccc(c1Cl)CC(=O)C 1458a_100000070787_200010147866 [0,1,0,0,0,1|1,0,0]=3 3871 B13R1.641 COc1cccc(c1Cl)NC(=O)C 11a_100000089720_100015343762 [0,1,0,0,0,1|1,0,0]=3 3872 B13R1.641 COc1cccc(c1Cl)NC(=O)C 1626a_100000089720_100015343762 [0,1,0,0,0,1|1,0,0]=3 3873 B13R1.641 COc1cccc(c1Cl)NC(=O)C 22a_100000089720_100000070787 [0,1,0,0,0,1|1,0,0]=3 3874 B13R1.641 COc1cccc(c1Cl)NC(=O)C 527a_100000089720_100103153847 [0,1,0,0,0,1|1,0,0]=3 3875 B13R1.641 COc1cccc(c1F)C=C(C)C 271570a_100102525489_100010185846 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000070787_100011260763 [0,1,0,0,0,1|1,0,0]=3 3877 B13R1.641 COc1cccc(c1F)CC(=O)C 1458a_100000698549_200000210301 [0,1,0,0,0,1|1,0,0]=3 3878 B13R1.641 COc1cccc(c1F)CC(=O)[13CH3] 1458a_100000698549_200025704644 [0,1,0,0,0,1|1,0,0]=3 3879 B13R1.641 COc1cccc(c1F)NC(=O)C 11a_100000100910_100015343762 [0,1,0,0,0,1|1,0,0]=3 3880 B13R1.641 COc1cccc(c1F)NC(=O)C 1626a_100000100910_100015343762 [0,1,0,0,0,1|1,0,0]=3 3881 B13R1.641 COc1cccc(c1F)NC(=O)C 22a_100000100910_100000070787 [0,1,0,0,0,1|1,0,0]=3 3882 B13R1.641 COc1cccc(c1F)NC(=O)C 527a_100000100910_100103153847 [0,1,0,0,0,1|1,0,0]=3 3883 B13R1.641 COc1cccc(c1I)NC(=O)C 11a_100010245509_100015343762 [0,1,0,0,0,1|1,0,0]=3 3884 B13R1.641 COc1cccc(c1I)NC(=O)C 1626a_100010245509_100015343762 [0,1,0,0,0,1|1,0,0]=3 3885 B13R1.641 COc1cccc(c1N)C=C(C)C 271570a_100102525489_100000708083 [0,1,0,0,0,1|2,0,0]=4 3886 B13R1.641 COc1cccc(c1O)C=C(C)C 271570a_100102525489_100000686866 [0,1,0,0,0,1|2,0,0]=4 3887 B13R1.641 COc1cccc(c1O)NC(=O)C 22a_100000123586_100000070787 [0,1,0,0,0,1|1,0,0]=3 3888 B13R1.641 COc1cccc(c1O)NC(=O)C 527a_100000123586_100103153847 [0,1,0,0,0,1|1,0,0]=3 3889 B13R1.641 COc1ccnc(c1C)CC(=O)C 1458a_100000070787_100016994983 [0,1,0,0,0,1|2,0,0]=4 3890 B13R1.642 CC(=O)N(C)c1cccc(c1)N[13CH3] 34a_100000765750_200025704644 [0,1,0,0,0,1|2,0,0]=4 3891 B13R1.642 CNc1cccc(c1)N(C)C(=O)C 34a_100000765750_200000210301 [0,1,0,0,0,1|2,0,0]=4 3892 B13R1.642 COc1cccc(c1)C(=C(C)C)C 271570a_200000049429_100000170001 [0,1,0,0,0,1|2,0,0]=4 3893 B13R1.642 COc1cccc(c1)N(C)C(=O)C 11a_100000219725_100015343762 [0,1,0,0,0,1|1,0,0]=3 3894 B13R1.642 COc1cccc(c1)N(C)C(=O)C 1626a_100000219725_100015343762 [0,1,0,0,0,1|1,0,0]=3 3895 B13R1.642 COc1cccc(c1)N(C)C(=O)C 22a_100000219725_100000070787 [0,1,0,0,0,1|1,0,0]=3 3896 B13R1.642 COc1cccc(c1)N(C)C(=O)C 527a_100000219725_100103153847 [0,1,0,0,0,1|1,0,0]=3 3897 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 11a_100020672454_100015343762 [0,1,0,0,0,1|1,1,0]=4 3898 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 22a_100020672454_100000070787 [0,1,0,0,0,1|1,1,0]=4 3899 B13R1.642 CSc1cccc(c1)N(C)C(=O)C 527a_100020672454_100103153847 [0,1,0,0,0,1|1,1,0]=4 3900 B13R1.31 C=C(C)c1cc(cc(c1)COC)F 271570a_100000694244_100012630430 [0,2,0,0,0,0|2,0,0]=4 3901 B13R1.31 C=C(C)c1cc(cc(c1)OCC)F 271570a_100000694244_100012343907 [0,2,0,0,0,0|2,0,0]=4 3902 B13R1.31 CC(=O)c1cc(cc(c1)OCF)C 34a_100009855872_100015361967 [0,2,0,0,0,0|1,0,0]=3 3903 B13R1.31 CC(=O)c1cc(cc(c1)OCF)C 7a_100009855872_100015361967 [0,2,0,0,0,0|1,0,0]=3 3904 B13R1.31 CC(=O)c1cc(cc(c1)SCF)Br 62a_100010005435_100015361967 [0,2,0,0,0,0|1,1,0]=4 3905 B13R1.31 CC(=O)c1cc(cc(c1)SCF)Br 62a_100015361967_100010005435 [0,2,0,0,0,0|1,1,0]=4 3906 B13R1.31 CC(=O)c1cc(cc(c1)SCF)C 62a_100000694479_100015361967 [0,2,0,0,0,0|1,1,0]=4 3907 B13R1.31 CC(=O)c1cc(cc(c1)SCF)C 62a_100015361967_100000694479 [0,2,0,0,0,0|1,1,0]=4 3908 B13R1.31 CC(=O)c1cc(cc(c1)SCF)F 62a_100012361402_100015361967 [0,2,0,0,0,0|1,1,0]=4 3909 B13R1.31 CC(=O)c1cc(cc(c1)SCF)F 62a_100015361967_100012361402 [0,2,0,0,0,0|1,1,0]=4 3910 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)Br 271570a_100016259895_100010005435 [0,2,0,0,0,0|2,0,0]=4 3911 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)C 271570a_100016259895_100000694479 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.31 CC=Cc1cc(cc(c1)C(=O)C)F 271570a_100016259895_100012361402 [0,2,0,0,0,0|2,0,0]=4 3913 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)C 271570a_100016259895_200012348365 [0,2,0,0,0,0|2,0,0]=4 3914 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)F 271570a_100016259895_200011280034 [0,2,0,0,0,0|2,0,0]=4 3915 B13R1.31 CC=Cc1cc(cc(c1)C(=O)N)O 271570a_100016259895_100010084318 [0,2,0,0,0,0|2,0,0]=4 3916 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 34a_200011998915_100000210202 [0,2,0,0,0,0|2,0,0]=4 3917 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 7a_200011998915_100000210202 [0,2,0,0,0,0|2,0,0]=4 3918 B13R1.31 CCOc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814747 [0,2,0,0,0,0|1,0,1]=4 3919 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 1458a_200010998560_200000210301 [0,2,0,0,0,0|1,0,0]=3 3920 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 34a_100009855872_100000210202 [0,2,0,0,0,0|1,0,0]=3 3921 B13R1.31 CCOc1cc(cc(c1)C(=O)C)C 7a_100009855872_100000210202 [0,2,0,0,0,0|1,0,0]=3 3922 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br 34a_100010084318_100000210202 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br 7a_100010084318_100000210202 [0,2,0,0,0,0|1,0,0]=3 3924 B13R1.31 CCOc1cc(cc(c1)C(=O)[13CH3])C 1458a_200010998560_200025704644 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_100000210202 [0,2,0,0,0,0|1,0,1]=4 3926 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_100000210202 [0,2,0,0,0,0|1,0,1]=4 3927 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_100000210202 [0,2,0,0,0,0|1,0,1]=4 3928 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_100000210202 [0,2,0,0,0,0|1,0,1]=4 3929 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_100000210202 [0,2,0,0,0,0|1,0,1]=4 3930 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_100000210202 [0,2,0,0,0,0|1,0,1]=4 3931 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_100000210202 [0,2,0,0,0,0|1,0,1]=4 3932 B13R1.31 CCOc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_100000210202 [0,2,0,0,0,0|1,0,1]=4 3933 B13R1.31 CCSc1cc(cc(c1)C(=O)C)Br 62a_100000210202_100010005435 [0,2,0,0,0,0|1,1,0]=4 3934 B13R1.31 CCSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_100000210202 [0,2,0,0,0,0|1,1,0]=4 3935 B13R1.31 CCSc1cc(cc(c1)C(=O)C)C 62a_100000210202_100000694479 [0,2,0,0,0,0|1,1,0]=4 3936 B13R1.31 CCSc1cc(cc(c1)C(=O)C)C 62a_100000694479_100000210202 [0,2,0,0,0,0|1,1,0]=4 3937 B13R1.31 CCSc1cc(cc(c1)C(=O)C)F 62a_100000210202_100012361402 [0,2,0,0,0,0|1,1,0]=4 3938 B13R1.31 CCSc1cc(cc(c1)C(=O)C)F 62a_100012361402_100000210202 [0,2,0,0,0,0|1,1,0]=4 3939 B13R1.31 CCSc1cc(cc(c1)C(=O)N)C 62a_100000210202_200012348365 [0,2,0,0,0,0|1,1,0]=4 3940 B13R1.31 CCSc1cc(cc(c1)C(=O)N)C 62a_200012348365_100000210202 [0,2,0,0,0,0|1,1,0]=4 3941 B13R1.31 CCSc1cc(cc(c1)C(=O)N)F 62a_100000210202_200011280034 [0,2,0,0,0,0|1,1,0]=4 3942 B13R1.31 CCSc1cc(cc(c1)C(=O)N)F 62a_200011280034_100000210202 [0,2,0,0,0,0|1,1,0]=4 3943 B13R1.31 CCSc1cc(cc(c1)C(=O)N)O 62a_100000210202_100010084318 [0,2,0,0,0,0|1,1,0]=4 3944 B13R1.31 CCSc1cc(cc(c1)C(=O)N)O 62a_100010084318_100000210202 [0,2,0,0,0,0|1,1,0]=4 3945 B13R1.31 CNCc1cc(cc(c1)C(=O)C)C 26a_100102657272_100009855872 [0,2,0,0,0,0|2,0,0]=4 3946 B13R1.31 CNCc1cc(cc(c1)C(=O)N)Br 26a_100102657272_100010084318 [0,2,0,0,0,0|2,0,0]=4 3947 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010202659_200000210301 [0,2,0,0,0,0|1,0,1]=4 3948 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Br 34a_100138415774_100012359582 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010202659_200000210301 [0,2,0,0,0,0|1,0,1]=4 3950 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])C 34a_100009873062_200000210301 [0,2,0,0,0,0|1,0,1]=4 3951 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])C 7a_100009873062_200000210301 [0,2,0,0,0,0|1,0,1]=4 3952 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000087606_200000210301 [0,2,0,0,0,0|1,0,1]=4 3953 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100138415774_100010239696 [0,2,0,0,0,0|1,0,1]=4 3954 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000087606_200000210301 [0,2,0,0,0,0|1,0,1]=4 3955 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])F 34a_100012178896_200000210301 [0,2,0,0,0,0|1,0,1]=4 3956 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])F 34a_100138415774_100012145706 [0,2,0,0,0,0|1,0,1]=4 3957 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])F 7a_100012178896_200000210301 [0,2,0,0,0,0|1,0,1]=4 3958 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])I 34a_100138415774_100010150304 [0,2,0,0,0,0|1,0,1]=4 3959 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])I 7a_100000731454_200000210301 [0,2,0,0,0,0|1,0,1]=4 3960 B13R1.31 COCc1cc(cc(c1)[N+](=O)[O-])N 34a_106657271727_200000210301 [0,2,0,0,0,0|1,0,1]=4 3961 B13R1.31 Cc1cc(cc(c1)C(=O)N)SCF 62a_100015361967_200012348365 [0,2,0,0,0,0|1,1,0]=4 3962 B13R1.31 Cc1cc(cc(c1)C(=O)N)SCF 62a_200012348365_100015361967 [0,2,0,0,0,0|1,1,0]=4 3963 B13R1.31 Cc1cc(cc(c1)[N+](=O)[O-])CO[13CH3] 34a_100009873062_200025704644 [0,2,0,0,0,0|1,0,1]=4 3964 B13R1.31 Cc1cc(cc(c1)[N+](=O)[O-])CO[13CH3] 7a_100009873062_200025704644 [0,2,0,0,0,0|1,0,1]=4 3965 B13R1.31 Cc1cc(cc(c1)[N+](=O)[O-])OCF 34a_200000091708_100015361967 [0,2,0,0,0,0|1,0,1]=4 3966 B13R1.31 Cc1cc(cc(c1)[N+](=O)[O-])OCF 7a_200000091708_100015361967 [0,2,0,0,0,0|1,0,1]=4 3967 B13R1.31 NC(=O)c1cc(cc(c1)NCF)F 34a_200011998915_100015361967 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.31 NC(=O)c1cc(cc(c1)NCF)F 7a_200011998915_100015361967 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.31 NC(=O)c1cc(cc(c1)OCF)Br 34a_100010084318_100015361967 [0,2,0,0,0,0|1,0,0]=3 3970 B13R1.31 NC(=O)c1cc(cc(c1)OCF)Br 7a_100010084318_100015361967 [0,2,0,0,0,0|1,0,0]=3 3971 B13R1.31 NC(=O)c1cc(cc(c1)SCF)F 62a_100015361967_200011280034 [0,2,0,0,0,0|1,1,0]=4 3972 B13R1.31 NC(=O)c1cc(cc(c1)SCF)F 62a_200011280034_100015361967 [0,2,0,0,0,0|1,1,0]=4 3973 B13R1.31 NC(=O)c1cc(cc(c1)SCF)O 62a_100010084318_100015361967 [0,2,0,0,0,0|1,1,0]=4 3974 B13R1.31 NC(=O)c1cc(cc(c1)SCF)O 62a_100015361967_100010084318 [0,2,0,0,0,0|1,1,0]=4 3975 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)Br 34a_100010219246_100015361967 [0,2,0,0,0,0|1,0,1]=4 3976 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)Br 7a_100010219246_100015361967 [0,2,0,0,0,0|1,0,1]=4 3977 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)Cl 34a_100000118981_100015361967 [0,2,0,0,0,0|1,0,1]=4 3978 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)Cl 7a_100000118981_100015361967 [0,2,0,0,0,0|1,0,1]=4 3979 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)F 34a_100000690918_100015361967 [0,2,0,0,0,0|1,0,1]=4 3980 B13R1.31 O=[N+]([O-])c1cc(cc(c1)OCF)F 7a_100000690918_100015361967 [0,2,0,0,0,0|1,0,1]=4 3981 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010202659_200025704644 [0,2,0,0,0,0|1,0,1]=4 3982 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010202659_200025704644 [0,2,0,0,0,0|1,0,1]=4 3983 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000087606_200025704644 [0,2,0,0,0,0|1,0,1]=4 3984 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000087606_200025704644 [0,2,0,0,0,0|1,0,1]=4 3985 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])F 34a_100012178896_200025704644 [0,2,0,0,0,0|1,0,1]=4 3986 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])F 7a_100012178896_200025704644 [0,2,0,0,0,0|1,0,1]=4 3987 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])I 7a_100000731454_200025704644 [0,2,0,0,0,0|1,0,1]=4 3988 B13R1.31 [13CH3]OCc1cc(cc(c1)[N+](=O)[O-])N 34a_106657271727_200025704644 [0,2,0,0,0,0|1,0,1]=4 3989 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)Br 271570a_100000694244_100010005435 [0,2,0,0,0,0|2,0,0]=4 3990 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)C 271570a_100000694244_100000694479 [0,2,0,0,0,0|2,0,0]=4 3991 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)C)F 271570a_100000694244_100012361402 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)C 271570a_100000694244_200012348365 [0,2,0,0,0,0|2,0,0]=4 3993 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)F 271570a_100000694244_200011280034 [0,2,0,0,0,0|2,0,0]=4 3994 B13R1.126 C=C(C)c1cc(cc(c1)C(=O)N)O 271570a_100000694244_100010084318 [0,2,0,0,0,0|2,0,0]=4 3995 B13R1.126 CC(=O)c1cc(cc(c1)C(C)C)Br 1458a_100010257297_200000210301 [0,2,0,0,0,0|2,0,0]=4 3996 B13R1.126 CC(C)c1cc(cc(c1)C(=O)[13CH3])Br 1458a_100010257297_200025704644 [0,2,0,0,0,0|2,0,0]=4 3997 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)C 271570a_100000694244_100010271686 [0,2,0,0,0,0|2,0,0]=4 3998 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)F 271570a_100000694244_100011218012 [0,2,0,0,0,0|2,0,0]=4 3999 B13R1.298 C=C(C)c1cc(c(c(c1)OC)F)O 271570a_100000694244_200015524394 [0,2,0,0,0,0|2,0,0]=4 4000 B13R1.298 C=C(C)c1cc(c(c(c1)OC)N)C 271570a_100000694244_100000741850 [0,2,0,0,0,0|2,0,0]=4 4001 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,2,0,0,0,0|1,0,0]=3 4002 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,2,0,0,0,0|1,0,0]=3 4003 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200000210301 [0,2,0,0,0,0|1,0,1]=4 4004 B13R1.298 COc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200000210301 [0,2,0,0,0,0|1,0,1]=4 4005 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,2,0,0,0,0|1,0,0]=3 4006 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200000210301 [0,2,0,0,0,0|1,0,1]=4 4008 B13R1.298 COc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200000210301 [0,2,0,0,0,0|1,0,1]=4 4009 B13R1.298 COc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200000210301 [0,2,0,0,0,0|1,0,1]=4 4010 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|1,0,0]=3 4011 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|1,0,0]=3 4013 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|1,0,0]=3 4014 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_200025704644 [0,2,0,0,0,0|1,0,1]=4 4015 B13R1.298 [13CH3]Oc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_200025704644 [0,2,0,0,0,0|1,0,1]=4 4016 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_200025704644 [0,2,0,0,0,0|1,0,1]=4 4017 B13R1.298 [13CH3]Oc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_200025704644 [0,2,0,0,0,0|1,0,1]=4 4018 B13R1.298 [13CH3]Oc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_200025704644 [0,2,0,0,0,0|1,0,1]=4 4019 B13R1.299 C=C(C)c1cc(cc(c1N)OC)F 271570a_100000694244_100011004115 [0,2,0,0,0,0|2,0,0]=4 4020 B13R1.299 C=C(C)c1cc(cc(c1O)OC)F 271570a_100000694244_200010391102 [0,2,0,0,0,0|2,0,0]=4 4021 B13R1.299 CC(=O)c1cc(cc(c1O)S[13CH3])C 62a_200025704644_100011659362 [0,2,0,0,0,0|1,1,0]=4 4022 B13R1.299 COc1cc(cc(c1Cl)C(=O)C)Br 1458a_100015568607_200000210301 [0,2,0,0,0,0|1,0,0]=3 4023 B13R1.299 COc1cc(cc(c1Cl)C(=O)[13CH3])Br 1458a_100015568607_200025704644 [0,2,0,0,0,0|1,0,0]=3 4024 B13R1.299 COc1cc(cc(c1F)B(O)O)O 271570a_203496583355_100010687341 [0,2,0,0,0,0|1,0,1]=4 4025 B13R1.299 COc1cc(cc(c1O)C(=O)C)Br 1458a_100012340195_200000210301 [0,2,0,0,0,0|1,0,0]=3 4026 B13R1.299 COc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100012340195_200025704644 [0,2,0,0,0,0|1,0,0]=3 4027 B13R1.299 CSc1cc(cc(c1O)C(=O)C)C 62a_200000210301_100011659362 [0,2,0,0,0,0|1,1,0]=4 4028 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200000210301_200135271384 [0,2,0,0,0,0|1,1,0]=4 4029 B13R1.299 CSc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200000210301 [0,2,0,0,0,0|1,1,0]=4 4030 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200025704644_200135271384 [0,2,0,0,0,0|1,1,0]=4 4031 B13R1.299 [13CH3]Sc1cc(cc(c1O)C(=O)N)F 62a_200135271384_200025704644 [0,2,0,0,0,0|1,1,0]=4 4032 B13R1.313 C=C(C)c1cc(cc(c1)OC)C#N 271570a_100000694244_100011934654 [0,2,0,0,0,0|2,0,0]=4 4033 B13R1.313 C=C(C)c1cc(cc(c1)OC)C=O 271570a_100000694244_100009816777 [0,2,0,0,0,0|2,0,0]=4 4034 B13R1.313 C=C(C)c1cc(cc(c1)OC)CO 271570a_100000694244_100009995317 [0,2,0,0,0,0|2,0,0]=4 4035 B13R1.313 C=C(C)c1cc(cc(c1)OC)OC 271570a_100000694244_100000685218 [0,2,0,0,0,0|2,0,0]=4 4036 B13R1.313 C=C(C)c1cc(cc(c1)SC)OC 271570a_100000694244_200010709149 [0,2,0,0,0,0|2,0,0]=4 4037 B13R1.313 C=Cc1cc(cc(c1)B(O)O)OC 271570a_100011290941_100009814751 [0,2,0,0,0,0|1,0,1]=4 4038 B13R1.313 C=Cc1cc(cc(c1)C(=O)C)OC 271570a_100011290941_100010713257 [0,2,0,0,0,0|1,0,0]=3 4039 B13R1.313 C=Cc1cc(cc(c1)C(=O)N)OC 271570a_100011290941_100010146780 [0,2,0,0,0,0|1,0,0]=3 4040 B13R1.313 CCc1cc(cc(c1)C(=O)C)CC 1458a_100000092841_200000210301 [0,2,0,0,0,0|2,0,0]=4 4041 B13R1.313 CCc1cc(cc(c1)C(=O)[13CH3])CC 1458a_100000092841_200025704644 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 34a_200012187661_200000210301 [0,2,0,0,0,0|1,0,0]=3 4043 B13R1.313 CNc1cc(cc(c1)C(=O)N)OC 7a_200012187661_200000210301 [0,2,0,0,0,0|1,0,0]=3 4044 B13R1.313 CNc1cc(cc(c1)[N+](=O)[O-])OC 34a_100011203528_200000210301 [0,2,0,0,0,0|1,0,1]=4 4045 B13R1.313 COc1cc(cc(c1)B(O)O)SC 62a_100009814751_200000210301 [0,2,0,0,0,0|1,0,1]=4 4046 B13R1.313 COc1cc(cc(c1)B(O)O)SC 62a_200000210301_100009814751 [0,2,0,0,0,0|1,0,1]=4 4047 B13R1.313 COc1cc(cc(c1)B(O)O)S[13CH3] 62a_100009814751_200025704644 [0,2,0,0,0,0|1,0,1]=4 4048 B13R1.313 COc1cc(cc(c1)B(O)O)S[13CH3] 62a_200025704644_100009814751 [0,2,0,0,0,0|1,0,1]=4 4049 B13R1.313 COc1cc(cc(c1)C(=O)C)OC 1458a_100000210870_200000210301 [0,2,0,0,0,0|1,0,0]=3 4050 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_100010713257_200000210301 [0,2,0,0,0,0|1,0,0]=3 4051 B13R1.313 COc1cc(cc(c1)C(=O)C)SC 62a_200000210301_100010713257 [0,2,0,0,0,0|1,0,0]=3 4052 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_100010713257_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B13R1.313 COc1cc(cc(c1)C(=O)C)S[13CH3] 62a_200025704644_100010713257 [0,2,0,0,0,0|1,0,0]=3 4054 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 34a_200012187661_200025704644 [0,2,0,0,0,0|1,0,0]=3 4055 B13R1.313 COc1cc(cc(c1)C(=O)N)N[13CH3] 7a_200012187661_200025704644 [0,2,0,0,0,0|1,0,0]=3 4056 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_100010146780_200000210301 [0,2,0,0,0,0|1,0,0]=3 4057 B13R1.313 COc1cc(cc(c1)C(=O)N)SC 62a_200000210301_100010146780 [0,2,0,0,0,0|1,0,0]=3 4058 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_100010146780_200025704644 [0,2,0,0,0,0|1,0,0]=3 4059 B13R1.313 COc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_100010146780 [0,2,0,0,0,0|1,0,0]=3 4060 B13R1.313 COc1cc(cc(c1)C(=O)[13CH3])OC 1458a_100000210870_200025704644 [0,2,0,0,0,0|1,0,0]=3 4061 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])C#N 34a_100000070094_200000210301 [0,2,0,0,0,0|1,0,1]=4 4062 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])C#N 7a_100000070094_200000210301 [0,2,0,0,0,0|1,0,1]=4 4063 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])CO 34a_100009843982_200000210301 [0,2,0,0,0,0|1,0,1]=4 4064 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])CO 7a_100009843982_200000210301 [0,2,0,0,0,0|1,0,1]=4 4065 B13R1.313 COc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011203528_200025704644 [0,2,0,0,0,0|1,0,1]=4 4066 B13R1.313 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])C#N 34a_100000070094_200025704644 [0,2,0,0,0,0|1,0,1]=4 4067 B13R1.313 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])C#N 7a_100000070094_200025704644 [0,2,0,0,0,0|1,0,1]=4 4068 B13R1.313 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])CO 34a_100009843982_200025704644 [0,2,0,0,0,0|1,0,1]=4 4069 B13R1.313 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])CO 7a_100009843982_200025704644 [0,2,0,0,0,0|1,0,1]=4 4070 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Br 271570a_100011290941_100012339729 [0,2,0,0,0,0|1,0,1]=4 4071 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)C 271570a_100011290941_100012359405 [0,2,0,0,0,0|1,0,1]=4 4072 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)Cl 271570a_100011290941_100000695173 [0,2,0,0,0,0|1,0,1]=4 4073 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)F 271570a_100011290941_100000698578 [0,2,0,0,0,0|1,0,1]=4 4074 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)N 271570a_100011290941_100138415615 [0,2,0,0,0,0|1,0,1]=4 4075 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)O 271570a_100011290941_100000696291 [0,2,0,0,0,0|1,0,1]=4 4076 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Br 1458a_100011934030_100000210202 [0,2,0,0,0,0|1,0,0]=3 4077 B13R1.314 CCC(=O)c1cc(cc(c1)OC)C 1458a_100000117910_100000210202 [0,2,0,0,0,0|1,0,0]=3 4078 B13R1.314 CCC(=O)c1cc(cc(c1)OC)Cl 1458a_100000066651_100000210202 [0,2,0,0,0,0|1,0,0]=3 4079 B13R1.314 CCC(=O)c1cc(cc(c1)OC)F 1458a_100011934639_100000210202 [0,2,0,0,0,0|1,0,0]=3 4080 B13R1.314 CCC(=O)c1cc(cc(c1)OC)I 1458a_200010292657_100000210202 [0,2,0,0,0,0|1,0,0]=3 4081 B13R1.314 CCC(=O)c1cc(cc(c1)OC)O 1458a_100000083963_100000210202 [0,2,0,0,0,0|1,0,0]=3 4082 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 11a_106832991635_100011934030 [0,2,0,0,0,0|1,0,0]=3 4083 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 1626a_100102657272_100011934030 [0,2,0,0,0,0|1,0,0]=3 4084 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 240690a_100102657272_100011934030 [0,2,0,0,0,0|1,0,0]=3 4085 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Br 527a_100102657272_100011934030 [0,2,0,0,0,0|1,0,0]=3 4086 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 11a_106832991635_100000117910 [0,2,0,0,0,0|1,0,0]=3 4087 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 1626a_100102657272_100000117910 [0,2,0,0,0,0|1,0,0]=3 4088 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 240690a_100102657272_100000117910 [0,2,0,0,0,0|1,0,0]=3 4089 B13R1.314 CNC(=O)c1cc(cc(c1)OC)C 527a_100102657272_100000117910 [0,2,0,0,0,0|1,0,0]=3 4090 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 11a_106832991635_100000066651 [0,2,0,0,0,0|1,0,0]=3 4091 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 1626a_100102657272_100000066651 [0,2,0,0,0,0|1,0,0]=3 4092 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 240690a_100102657272_100000066651 [0,2,0,0,0,0|1,0,0]=3 4093 B13R1.314 CNC(=O)c1cc(cc(c1)OC)Cl 527a_100102657272_100000066651 [0,2,0,0,0,0|1,0,0]=3 4094 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 11a_106832991635_100011934639 [0,2,0,0,0,0|1,0,0]=3 4095 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 1626a_100102657272_100011934639 [0,2,0,0,0,0|1,0,0]=3 4096 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 240690a_100102657272_100011934639 [0,2,0,0,0,0|1,0,0]=3 4097 B13R1.314 CNC(=O)c1cc(cc(c1)OC)F 527a_100102657272_100011934639 [0,2,0,0,0,0|1,0,0]=3 4098 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 11a_106832991635_200010292657 [0,2,0,0,0,0|1,0,0]=3 4099 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 1626a_100102657272_200010292657 [0,2,0,0,0,0|1,0,0]=3 4100 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 240690a_100102657272_200010292657 [0,2,0,0,0,0|1,0,0]=3 4101 B13R1.314 CNC(=O)c1cc(cc(c1)OC)I 527a_100102657272_200010292657 [0,2,0,0,0,0|1,0,0]=3 4102 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 240690a_100102657272_100000083963 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.314 CNC(=O)c1cc(cc(c1)OC)O 527a_100102657272_100000083963 [0,2,0,0,0,0|1,0,0]=3 4104 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200000210301_200011295653 [0,2,0,0,0,0|1,1,0]=4 4105 B13R1.314 CNC(=O)c1cc(cc(c1)SC)F 62a_200011295653_200000210301 [0,2,0,0,0,0|1,1,0]=4 4106 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200011295653_200025704644 [0,2,0,0,0,0|1,1,0]=4 4107 B13R1.314 CNC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_200011295653 [0,2,0,0,0,0|1,1,0]=4 4108 B13R1.314 COC(=O)c1cc(cc(c1)C#N)O 271570a_203496583355_200010072370 [0,2,0,0,0,0|2,0,0]=4 4109 B13R1.314 COC(=O)c1cc(cc(c1)C=O)O 271570a_203496583355_100010371122 [0,2,0,0,0,0|2,0,0]=4 4110 B13R1.314 COC(=O)c1cc(cc(c1)CN)O 271570a_203496583355_100134615983 [0,2,0,0,0,0|2,0,0]=4 4111 B13R1.314 COC(=O)c1cc(cc(c1)CO)O 271570a_203496583355_100010232996 [0,2,0,0,0,0|2,0,0]=4 4112 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 34a_100000696291_200000210301 [0,2,0,0,0,0|0,0,0]=2 4113 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br 7a_100000696291_200000210301 [0,2,0,0,0,0|0,0,0]=2 4114 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 34a_100009870047_200000210301 [0,2,0,0,0,0|0,0,0]=2 4115 B13R1.314 COC(=O)c1cc(cc(c1)OC)Cl 7a_100009870047_200000210301 [0,2,0,0,0,0|0,0,0]=2 4116 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 34a_100000118610_200000210301 [0,2,0,0,0,0|0,0,0]=2 4117 B13R1.314 COC(=O)c1cc(cc(c1)OC)F 7a_100000118610_200000210301 [0,2,0,0,0,0|0,0,0]=2 4118 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 34a_100000069914_200000210301 [0,2,0,0,0,0|0,0,0]=2 4119 B13R1.314 COC(=O)c1cc(cc(c1)OC)N 7a_100000069914_200000210301 [0,2,0,0,0,0|0,0,0]=2 4120 B13R1.314 COC(=O)c1cc(cc(c1)OC)O 271570a_203496583355_200010233337 [0,2,0,0,0,0|0,0,0]=2 4121 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 34a_100000696291_200025704644 [0,2,0,0,0,0|0,0,0]=2 4122 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Br 7a_100000696291_200025704644 [0,2,0,0,0,0|0,0,0]=2 4123 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 34a_100009870047_200025704644 [0,2,0,0,0,0|0,0,0]=2 4124 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])Cl 7a_100009870047_200025704644 [0,2,0,0,0,0|0,0,0]=2 4125 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 34a_100000118610_200025704644 [0,2,0,0,0,0|0,0,0]=2 4126 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])F 7a_100000118610_200025704644 [0,2,0,0,0,0|0,0,0]=2 4127 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 34a_100000069914_200025704644 [0,2,0,0,0,0|0,0,0]=2 4128 B13R1.314 COC(=O)c1cc(cc(c1)O[13CH3])N 7a_100000069914_200025704644 [0,2,0,0,0,0|0,0,0]=2 4129 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_100012339729_200000210301 [0,2,0,0,0,0|0,1,0]=3 4130 B13R1.314 COC(=O)c1cc(cc(c1)SC)Br 62a_200000210301_100012339729 [0,2,0,0,0,0|0,1,0]=3 4131 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_100012359405_200000210301 [0,2,0,0,0,0|0,1,0]=3 4132 B13R1.314 COC(=O)c1cc(cc(c1)SC)C 62a_200000210301_100012359405 [0,2,0,0,0,0|0,1,0]=3 4133 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_100000695173_200000210301 [0,2,0,0,0,0|0,1,0]=3 4134 B13R1.314 COC(=O)c1cc(cc(c1)SC)Cl 62a_200000210301_100000695173 [0,2,0,0,0,0|0,1,0]=3 4135 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_100000698578_200000210301 [0,2,0,0,0,0|0,1,0]=3 4136 B13R1.314 COC(=O)c1cc(cc(c1)SC)F 62a_200000210301_100000698578 [0,2,0,0,0,0|0,1,0]=3 4137 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_100138415615_200000210301 [0,2,0,0,0,0|0,1,0]=3 4138 B13R1.314 COC(=O)c1cc(cc(c1)SC)N 62a_200000210301_100138415615 [0,2,0,0,0,0|0,1,0]=3 4139 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_100000696291_200000210301 [0,2,0,0,0,0|0,1,0]=3 4140 B13R1.314 COC(=O)c1cc(cc(c1)SC)O 62a_200000210301_100000696291 [0,2,0,0,0,0|0,1,0]=3 4141 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100012339729_200025704644 [0,2,0,0,0,0|0,1,0]=3 4142 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100012339729 [0,2,0,0,0,0|0,1,0]=3 4143 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_100012359405_200025704644 [0,2,0,0,0,0|0,1,0]=3 4144 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100012359405 [0,2,0,0,0,0|0,1,0]=3 4145 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_100000695173_200025704644 [0,2,0,0,0,0|0,1,0]=3 4146 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100000695173 [0,2,0,0,0,0|0,1,0]=3 4147 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_100000698578_200025704644 [0,2,0,0,0,0|0,1,0]=3 4148 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100000698578 [0,2,0,0,0,0|0,1,0]=3 4149 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_100138415615_200025704644 [0,2,0,0,0,0|0,1,0]=3 4150 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])N 62a_200025704644_100138415615 [0,2,0,0,0,0|0,1,0]=3 4151 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_100000696291_200025704644 [0,2,0,0,0,0|0,1,0]=3 4152 B13R1.314 COC(=O)c1cc(cc(c1)S[13CH3])O 62a_200025704644_100000696291 [0,2,0,0,0,0|0,1,0]=3 4153 B13R1.314 COC(=O)c1cc(cc(n1)O)OC 271570a_203496583355_100010161163 [0,2,0,0,0,0|1,0,0]=3 4154 B13R1.314 COC(=O)c1cc(cc(n1)OC)O 271570a_203496583355_100010136341 [0,2,0,0,0,0|1,0,0]=3 4155 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_100009865194_200000210301 [0,2,0,0,0,0|1,1,0]=4 4156 B13R1.314 COC(=O)c1cc(cc(n1)SC)C 62a_200000210301_100009865194 [0,2,0,0,0,0|1,1,0]=4 4157 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_100009865194_200025704644 [0,2,0,0,0,0|1,1,0]=4 4158 B13R1.314 COC(=O)c1cc(cc(n1)S[13CH3])C 62a_200025704644_100009865194 [0,2,0,0,0,0|1,1,0]=4 4159 B13R1.314 COC(=O)c1cc(nc(c1)OC)O 271570a_203496583355_100009994165 [0,2,0,0,0,0|1,0,0]=3 4160 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_100000695393_200000210301 [0,2,0,0,0,0|1,1,0]=4 4161 B13R1.314 COC(=O)c1cc(nc(c1)SC)C 62a_200000210301_100000695393 [0,2,0,0,0,0|1,1,0]=4 4162 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_100000062536_200000210301 [0,2,0,0,0,0|1,1,0]=4 4163 B13R1.314 COC(=O)c1cc(nc(c1)SC)N 62a_200000210301_100000062536 [0,2,0,0,0,0|1,1,0]=4 4164 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_100000695393_200025704644 [0,2,0,0,0,0|1,1,0]=4 4165 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100000695393 [0,2,0,0,0,0|1,1,0]=4 4166 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_100000062536_200025704644 [0,2,0,0,0,0|1,1,0]=4 4167 B13R1.314 COC(=O)c1cc(nc(c1)S[13CH3])N 62a_200025704644_100000062536 [0,2,0,0,0,0|1,1,0]=4 4168 B13R1.314 COC(=O)c1cc(nc(n1)O)OC 271570a_203496583355_200010218615 [0,2,0,0,0,0|2,0,0]=4 4169 B13R1.314 COC(=O)c1cc(nc(n1)OC)O 271570a_203496583355_100010894482 [0,2,0,0,0,0|2,0,0]=4 4170 B13R1.314 COc1cc(cc(c1)C(=O)CF)Br 1458a_100011934030_100015361967 [0,2,0,0,0,0|1,0,0]=3 4171 B13R1.314 COc1cc(cc(c1)C(=O)CF)C 1458a_100000117910_100015361967 [0,2,0,0,0,0|1,0,0]=3 4172 B13R1.314 COc1cc(cc(c1)C(=O)CF)Cl 1458a_100000066651_100015361967 [0,2,0,0,0,0|1,0,0]=3 4173 B13R1.314 COc1cc(cc(c1)C(=O)CF)F 1458a_100011934639_100015361967 [0,2,0,0,0,0|1,0,0]=3 4174 B13R1.314 COc1cc(cc(c1)C(=O)CF)I 1458a_200010292657_100015361967 [0,2,0,0,0,0|1,0,0]=3 4175 B13R1.314 COc1cc(cc(c1)C(=O)CF)O 1458a_100000083963_100015361967 [0,2,0,0,0,0|1,0,0]=3 4176 B13R1.314 CSc1cc(cc(c1)C(=O)NN)F 62a_100011279999_200000210301 [0,2,0,0,0,0|1,1,0]=4 4177 B13R1.314 CSc1cc(cc(c1)C(=O)NN)F 62a_200000210301_100011279999 [0,2,0,0,0,0|1,1,0]=4 4178 B13R1.314 [13CH3]Sc1cc(cc(c1)C(=O)NN)F 62a_100011279999_200025704644 [0,2,0,0,0,0|1,1,0]=4 4179 B13R1.314 [13CH3]Sc1cc(cc(c1)C(=O)NN)F 62a_200025704644_100011279999 [0,2,0,0,0,0|1,1,0]=4 4180 B13R1.437 C=C(C)c1cc(cc(c1N)C)OC 271570a_100000694244_200011010636 [0,2,0,0,0,0|2,0,0]=4 4181 B13R1.437 C=C(C)c1cc(cc(c1N)N)OC 271570a_100000694244_100010194281 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.437 C=C(C)c1cc(cc(c1O)N)OC 271570a_100000694244_200010008348 [0,2,0,0,0,0|2,0,0]=4 4183 B13R1.13 C=C(C)c1cc(ccc1Br)C(=O)C 271570a_100000694244_100010146556 [0,2,0,0,0,0|2,0,0]=4 4184 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)C 271570a_100000694244_100011934287 [0,2,0,0,0,0|2,0,0]=4 4185 B13R1.13 C=C(C)c1cc(ccc1C)C(=O)N 271570a_100000694244_100000186401 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)C 271570a_100000694244_100000239719 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.13 C=C(C)c1cc(ccc1F)C(=O)N 271570a_100000694244_100011202321 [0,2,0,0,0,0|2,0,0]=4 4188 B13R1.13 C=C(C)c1cc(ccc1N)C(=O)C 271570a_100000694244_100012029215 [0,2,0,0,0,0|2,0,0]=4 4189 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,2,0,0,0,0|2,0,0]=4 4190 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)C 271570a_100000694244_100012706819 [0,2,0,0,0,0|2,0,0]=4 4191 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)Cl 271570a_100000694244_100010712560 [0,2,0,0,0,0|2,0,0]=4 4192 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)F 271570a_100000694244_100000689017 [0,2,0,0,0,0|2,0,0]=4 4193 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)N 271570a_100000694244_100000695420 [0,2,0,0,0,0|2,0,0]=4 4194 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,2,0,0,0,0|2,0,0]=4 4195 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)C 271570a_100000694244_100012257281 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)F 271570a_100000694244_100000162119 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)N 271570a_100000694244_100000740421 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,2,0,0,0,0|2,0,0]=4 4199 B13R1.13 CC(=O)c1cc(ccc1Br)N(C)C 1458a_100012343546_200000210301 [0,2,0,0,0,0|2,0,0]=4 4200 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [0,2,0,0,0,0|2,0,0]=4 4201 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [0,2,0,0,0,0|2,0,0]=4 4202 B13R1.13 CN(C)c1ccc(c(c1)C(=O)[13CH3])Br 1458a_100012343546_200025704644 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.49 C=Cc1cc(ccc1Br)C(=O)OC 271570a_100011290941_100012349818 [0,2,0,0,0,0|1,0,1]=4 4204 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [0,2,0,0,0,0|1,0,1]=4 4205 B13R1.49 C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100011290941_100011294800 [0,2,0,0,0,0|1,0,1]=4 4206 B13R1.49 C=Cc1cc(ccc1F)C(=O)OC 271570a_100011290941_100000722584 [0,2,0,0,0,0|1,0,1]=4 4207 B13R1.49 C=Cc1cc(ccc1N)C(=O)OC 271570a_100011290941_100000187552 [0,2,0,0,0,0|1,0,1]=4 4208 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,2,0,0,0,0|1,0,1]=4 4209 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Br 1458a_100010152358_100000210202 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.49 CCC(=O)c1ccc(c(c1)CC)Cl 1458a_100000102533_100000210202 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.49 CCC(=O)c1ccc(c(c1)CC)F 1458a_100009883079_100000210202 [0,2,0,0,0,0|2,0,0]=4 4212 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,2,0,0,0,0|1,0,0]=3 4213 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,2,0,0,0,0|1,0,0]=3 4214 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,2,0,0,0,0|1,0,0]=3 4215 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,2,0,0,0,0|1,0,0]=3 4216 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,2,0,0,0,0|1,0,0]=3 4217 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|1,0,0]=3 4218 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_100011216493_200000210301 [0,2,0,0,0,0|1,1,0]=4 4219 B13R1.49 CCC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100011216493 [0,2,0,0,0,0|1,1,0]=4 4220 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_100011216493_200025704644 [0,2,0,0,0,0|1,1,0]=4 4221 B13R1.49 CCC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011216493 [0,2,0,0,0,0|1,1,0]=4 4222 B13R1.49 CCc1cc(ccc1Br)C(=O)CF 1458a_100010152358_100015361967 [0,2,0,0,0,0|2,0,0]=4 4223 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 11a_106832991635_100010152358 [0,2,0,0,0,0|2,0,0]=4 4224 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 1626a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 4225 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 240690a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 4226 B13R1.49 CCc1cc(ccc1Br)C(=O)NC 527a_100102657272_100010152358 [0,2,0,0,0,0|2,0,0]=4 4227 B13R1.49 CCc1cc(ccc1Cl)C(=O)CF 1458a_100000102533_100015361967 [0,2,0,0,0,0|2,0,0]=4 4228 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 11a_106832991635_100000102533 [0,2,0,0,0,0|2,0,0]=4 4229 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 4230 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 4231 B13R1.49 CCc1cc(ccc1Cl)C(=O)NC 527a_100102657272_100000102533 [0,2,0,0,0,0|2,0,0]=4 4232 B13R1.49 CCc1cc(ccc1F)C(=O)CF 1458a_100009883079_100015361967 [0,2,0,0,0,0|2,0,0]=4 4233 B13R1.49 CCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009883079 [0,2,0,0,0,0|2,0,0]=4 4234 B13R1.49 CCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 4235 B13R1.49 CCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 4236 B13R1.49 CCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009883079 [0,2,0,0,0,0|2,0,0]=4 4237 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 2230a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 4238 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 34a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 4239 B13R1.49 CNC(=O)c1ccc(c(c1)NC)C 7a_100000737617_200000210301 [0,2,0,0,0,0|2,0,0]=4 4240 B13R1.49 CNC(=O)c1ccc(c(c1)NC)Cl 34a_100000740709_200000210301 [0,2,0,0,0,0|2,0,0]=4 4241 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 27a_100102657272_200012359898 [0,2,0,0,0,0|2,0,0]=4 4242 B13R1.49 CNC(=O)c1ccc(c(c1)NC)F 34a_100011295210_200000210301 [0,2,0,0,0,0|2,0,0]=4 4243 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 2230a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 4244 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 34a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 4245 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])C 7a_100000737617_200025704644 [0,2,0,0,0,0|2,0,0]=4 4246 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])Cl 34a_100000740709_200025704644 [0,2,0,0,0,0|2,0,0]=4 4247 B13R1.49 CNC(=O)c1ccc(c(c1)N[13CH3])F 34a_100011295210_200025704644 [0,2,0,0,0,0|2,0,0]=4 4248 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,2,0,0,0,0|1,0,0]=3 4249 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 4250 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 4251 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,2,0,0,0,0|1,0,0]=3 4252 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,2,0,0,0,0|1,0,0]=3 4253 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 4254 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 4255 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,2,0,0,0,0|1,0,0]=3 4256 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,2,0,0,0,0|1,0,0]=3 4257 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 4258 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 4259 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,2,0,0,0,0|1,0,0]=3 4260 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,2,0,0,0,0|1,0,0]=3 4261 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 4262 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 4263 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,2,0,0,0,0|1,0,0]=3 4264 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,2,0,0,0,0|1,0,0]=3 4265 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 4266 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 4267 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,2,0,0,0,0|1,0,0]=3 4268 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|1,0,0]=3 4269 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200000210301_200012359898 [0,2,0,0,0,0|1,1,0]=4 4270 B13R1.49 CNC(=O)c1ccc(c(c1)SC)F 62a_200012359898_200000210301 [0,2,0,0,0,0|1,1,0]=4 4271 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200012359898_200025704644 [0,2,0,0,0,0|1,1,0]=4 4272 B13R1.49 CNC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_200012359898 [0,2,0,0,0,0|1,1,0]=4 4273 B13R1.49 CNc1cc(cnc1F)C(=O)OC 27a_100102657272_100000117919 [0,2,0,0,0,0|2,0,0]=4 4274 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_100000065005_200000210301 [0,2,0,0,0,0|1,1,0]=4 4275 B13R1.49 COC(=O)c1cc(c(cn1)C)SC 62a_200000210301_100000065005 [0,2,0,0,0,0|1,1,0]=4 4276 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_100000065005_200025704644 [0,2,0,0,0,0|1,1,0]=4 4277 B13R1.49 COC(=O)c1cc(c(cn1)C)S[13CH3] 62a_200025704644_100000065005 [0,2,0,0,0,0|1,1,0]=4 4278 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,2,0,0,0,0|1,0,0]=3 4279 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,2,0,0,0,0|2,0,0]=4 4282 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,2,0,0,0,0|0,0,0]=2 4283 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,2,0,0,0,0|0,0,0]=2 4284 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,2,0,0,0,0|0,0,0]=2 4285 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,2,0,0,0,0|0,0,0]=2 4286 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,2,0,0,0,0|0,0,0]=2 4287 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,2,0,0,0,0|0,0,0]=2 4288 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,2,0,0,0,0|0,0,0]=2 4289 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,2,0,0,0,0|0,0,0]=2 4290 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,2,0,0,0,0|0,0,0]=2 4291 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,2,0,0,0,0|0,0,0]=2 4292 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,2,0,0,0,0|0,0,0]=2 4293 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,2,0,0,0,0|0,0,0]=2 4294 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|0,0,0]=2 4295 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,2,0,0,0,0|0,0,0]=2 4296 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,2,0,0,0,0|0,0,0]=2 4297 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,2,0,0,0,0|0,0,0]=2 4298 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,2,0,0,0,0|0,0,0]=2 4299 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,2,0,0,0,0|0,0,0]=2 4300 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,2,0,0,0,0|0,0,0]=2 4301 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,2,0,0,0,0|0,0,0]=2 4302 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,2,0,0,0,0|0,0,0]=2 4303 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,2,0,0,0,0|0,0,0]=2 4304 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,2,0,0,0,0|0,0,0]=2 4305 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,2,0,0,0,0|0,0,0]=2 4306 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,2,0,0,0,0|0,0,0]=2 4307 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,2,0,0,0,0|0,1,0]=3 4308 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,2,0,0,0,0|0,1,0]=3 4309 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,2,0,0,0,0|0,1,0]=3 4310 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,2,0,0,0,0|0,1,0]=3 4311 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,2,0,0,0,0|0,1,0]=3 4312 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,2,0,0,0,0|0,1,0]=3 4313 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,2,0,0,0,0|0,1,0]=3 4314 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,2,0,0,0,0|0,1,0]=3 4315 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,2,0,0,0,0|0,1,0]=3 4316 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,2,0,0,0,0|0,1,0]=3 4317 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,2,0,0,0,0|0,1,0]=3 4318 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,2,0,0,0,0|0,1,0]=3 4319 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,2,0,0,0,0|0,1,0]=3 4320 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,2,0,0,0,0|0,1,0]=3 4321 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,2,0,0,0,0|0,1,0]=3 4322 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,2,0,0,0,0|0,1,0]=3 4323 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,2,0,0,0,0|0,1,0]=3 4324 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,2,0,0,0,0|0,1,0]=3 4325 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,2,0,0,0,0|0,1,0]=3 4326 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,2,0,0,0,0|0,1,0]=3 4327 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,2,0,0,0,0|0,1,0]=3 4328 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,2,0,0,0,0|0,1,0]=3 4329 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,2,0,0,0,0|0,1,0]=3 4330 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,2,0,0,0,0|0,1,0]=3 4331 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,2,0,0,0,0|1,0,0]=3 4332 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_100010143800_200000210301 [0,2,0,0,0,0|1,1,0]=4 4333 B13R1.49 COC(=O)c1ccc(c(n1)SC)C 62a_200000210301_100010143800 [0,2,0,0,0,0|1,1,0]=4 4334 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_100010189626_200000210301 [0,2,0,0,0,0|1,1,0]=4 4335 B13R1.49 COC(=O)c1ccc(c(n1)SC)F 62a_200000210301_100010189626 [0,2,0,0,0,0|1,1,0]=4 4336 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,2,0,0,0,0|1,1,0]=4 4337 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,2,0,0,0,0|1,1,0]=4 4338 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_100010143800_200025704644 [0,2,0,0,0,0|1,1,0]=4 4339 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])C 62a_200025704644_100010143800 [0,2,0,0,0,0|1,1,0]=4 4340 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_100010189626_200025704644 [0,2,0,0,0,0|1,1,0]=4 4341 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])F 62a_200025704644_100010189626 [0,2,0,0,0,0|1,1,0]=4 4342 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,2,0,0,0,0|1,1,0]=4 4343 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,2,0,0,0,0|1,1,0]=4 4344 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,2,0,0,0,0|1,0,0]=3 4345 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,2,0,0,0,0|1,0,0]=3 4346 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,2,0,0,0,0|1,0,0]=3 4347 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,2,0,0,0,0|1,0,0]=3 4348 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,2,0,0,0,0|1,0,0]=3 4349 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,2,0,0,0,0|1,0,0]=3 4350 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,2,0,0,0,0|1,0,0]=3 4351 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,2,0,0,0,0|1,0,0]=3 4352 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,2,0,0,0,0|1,0,0]=3 4353 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,2,0,0,0,0|1,0,0]=3 4354 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,2,0,0,0,0|1,0,0]=3 4355 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,2,0,0,0,0|1,0,0]=3 4356 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,2,0,0,0,0|1,0,0]=3 4357 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_100010188758_200000210301 [0,2,0,0,0,0|1,1,0]=4 4358 B13R1.49 COC(=O)c1cnc(c(c1)SC)Cl 62a_200000210301_100010188758 [0,2,0,0,0,0|1,1,0]=4 4359 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_100000117919_200000210301 [0,2,0,0,0,0|1,1,0]=4 4360 B13R1.49 COC(=O)c1cnc(c(c1)SC)F 62a_200000210301_100000117919 [0,2,0,0,0,0|1,1,0]=4 4361 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_100009816800_200000210301 [0,2,0,0,0,0|1,1,0]=4 4362 B13R1.49 COC(=O)c1cnc(c(c1)SC)N 62a_200000210301_100009816800 [0,2,0,0,0,0|1,1,0]=4 4363 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,2,0,0,0,0|1,1,0]=4 4364 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,2,0,0,0,0|1,1,0]=4 4365 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_100010188758_200025704644 [0,2,0,0,0,0|1,1,0]=4 4366 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010188758 [0,2,0,0,0,0|1,1,0]=4 4367 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_100000117919_200025704644 [0,2,0,0,0,0|1,1,0]=4 4368 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])F 62a_200025704644_100000117919 [0,2,0,0,0,0|1,1,0]=4 4369 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_100009816800_200025704644 [0,2,0,0,0,0|1,1,0]=4 4370 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])N 62a_200025704644_100009816800 [0,2,0,0,0,0|1,1,0]=4 4371 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,2,0,0,0,0|1,1,0]=4 4372 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,2,0,0,0,0|1,1,0]=4 4373 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_100009812866_200000210301 [0,2,0,0,0,0|1,1,0]=4 4374 B13R1.49 COC(=O)c1coc(=O)c(c1)SC 62a_200000210301_100009812866 [0,2,0,0,0,0|1,1,0]=4 4375 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_100009812866_200025704644 [0,2,0,0,0,0|1,1,0]=4 4376 B13R1.49 COC(=O)c1coc(=O)c(c1)S[13CH3] 62a_200025704644_100009812866 [0,2,0,0,0,0|1,1,0]=4 4377 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,2,0,0,0,0|1,0,0]=3 4378 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,2,0,0,0,0|1,0,0]=3 4379 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,2,0,0,0,0|1,0,0]=3 4380 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,2,0,0,0,0|1,0,0]=3 4381 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,2,0,0,0,0|1,0,0]=3 4382 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,2,0,0,0,0|1,0,0]=3 4383 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|1,0,0]=3 4384 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_100000188075_200000210301 [0,2,0,0,0,0|1,1,0]=4 4385 B13R1.49 CSc1cc(ccc1C)C(=O)NN 62a_200000210301_100000188075 [0,2,0,0,0,0|1,1,0]=4 4386 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200000210301 [0,2,0,0,0,0|1,1,0]=4 4387 B13R1.49 CSc1cc(ccc1Cl)C(=O)NN 62a_200000210301_100000046573 [0,2,0,0,0,0|1,1,0]=4 4388 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_100000188075_200025704644 [0,2,0,0,0,0|1,1,0]=4 4389 B13R1.49 Cc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000188075 [0,2,0,0,0,0|1,1,0]=4 4390 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,2,0,0,0,0|1,0,0]=3 4391 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_100000046573_200025704644 [0,2,0,0,0,0|1,1,0]=4 4392 B13R1.49 [13CH3]Sc1cc(ccc1Cl)C(=O)NN 62a_200025704644_100000046573 [0,2,0,0,0,0|1,1,0]=4 4393 B13R1.354 C=C(C)c1ccc(c(c1)COC)Br 271570a_100000694244_202125822959 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.354 C=C(C)c1ccc(c(c1)COC)F 271570a_100000694244_100010140362 [0,2,0,0,0,0|2,0,0]=4 4395 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,2,0,0,0,0|2,0,0]=4 4396 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,2,0,0,0,0|2,0,0]=4 4397 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,2,0,0,0,0|2,0,0]=4 4398 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,2,0,0,0,0|1,1,0]=4 4399 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,2,0,0,0,0|1,0,0]=3 4400 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,2,0,0,0,0|1,0,0]=3 4401 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,2,0,0,0,0|1,0,0]=3 4402 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,2,0,0,0,0|1,0,0]=3 4403 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [0,2,0,0,0,0|1,1,0]=4 4404 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [0,2,0,0,0,0|1,1,0]=4 4405 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [0,2,0,0,0,0|1,1,0]=4 4406 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [0,2,0,0,0,0|1,1,0]=4 4407 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [0,2,0,0,0,0|1,1,0]=4 4408 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [0,2,0,0,0,0|1,1,0]=4 4409 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [0,2,0,0,0,0|1,1,0]=4 4410 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,2,0,0,0,0|1,1,0]=4 4411 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,2,0,0,0,0|2,0,0]=4 4415 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,2,0,0,0,0|2,0,0]=4 4416 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,2,0,0,0,0|2,0,0]=4 4417 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,2,0,0,0,0|2,0,0]=4 4418 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.354 CCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210202 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.354 CCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210202 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210202 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.354 CCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210202 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,2,0,0,0,0|1,0,0]=3 4425 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,2,0,0,0,0|1,0,0]=3 4426 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210202 [0,2,0,0,0,0|1,0,1]=4 4427 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210202 [0,2,0,0,0,0|1,0,1]=4 4428 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,2,0,0,0,0|1,0,0]=3 4429 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,2,0,0,0,0|1,0,0]=3 4430 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,2,0,0,0,0|1,0,0]=3 4431 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,2,0,0,0,0|1,0,0]=3 4432 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210202 [0,2,0,0,0,0|1,0,1]=4 4433 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210202 [0,2,0,0,0,0|1,0,1]=4 4434 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,2,0,0,0,0|1,0,0]=3 4435 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,2,0,0,0,0|1,0,0]=3 4436 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210202 [0,2,0,0,0,0|1,0,1]=4 4437 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210202 [0,2,0,0,0,0|1,0,1]=4 4438 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,2,0,0,0,0|1,0,0]=3 4439 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,2,0,0,0,0|1,0,0]=3 4440 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210202 [0,2,0,0,0,0|1,0,1]=4 4441 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210202 [0,2,0,0,0,0|1,0,1]=4 4442 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210202 [0,2,0,0,0,0|1,0,1]=4 4443 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210202 [0,2,0,0,0,0|1,0,1]=4 4444 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,2,0,0,0,0|1,0,0]=3 4445 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,2,0,0,0,0|1,0,0]=3 4446 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,2,0,0,0,0|1,0,1]=4 4447 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,2,0,0,0,0|1,0,1]=4 4448 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|1,0,0]=3 4449 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|1,0,0]=3 4450 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [0,2,0,0,0,0|1,1,0]=4 4451 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [0,2,0,0,0,0|1,1,0]=4 4452 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [0,2,0,0,0,0|1,1,0]=4 4453 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [0,2,0,0,0,0|1,1,0]=4 4454 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210202 [0,2,0,0,0,0|1,1,0]=4 4455 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000210202_100000186401 [0,2,0,0,0,0|1,1,0]=4 4456 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [0,2,0,0,0,0|1,1,0]=4 4457 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [0,2,0,0,0,0|1,1,0]=4 4458 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100000210202_100011202321 [0,2,0,0,0,0|1,1,0]=4 4459 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210202 [0,2,0,0,0,0|1,1,0]=4 4460 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [0,2,0,0,0,0|1,1,0]=4 4461 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,2,0,0,0,0|1,1,0]=4 4462 B13R1.354 CNCc1cc(ccc1Br)C(=O)N 26a_100102657272_100012344895 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 34a_100138415774_100010254470 [0,2,0,0,0,0|1,0,1]=4 4466 B13R1.354 COCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200000210301 [0,2,0,0,0,0|1,0,1]=4 4467 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100000075575_200000210301 [0,2,0,0,0,0|1,0,1]=4 4468 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 34a_100138415774_100010238791 [0,2,0,0,0,0|1,0,1]=4 4469 B13R1.354 COCc1cc(ccc1C)[N+](=O)[O-] 7a_100000075575_200000210301 [0,2,0,0,0,0|1,0,1]=4 4470 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200000210301 [0,2,0,0,0,0|1,0,1]=4 4471 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100138415774_100011273546 [0,2,0,0,0,0|1,0,1]=4 4472 B13R1.354 COCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200000210301 [0,2,0,0,0,0|1,0,1]=4 4473 B13R1.354 COCc1cc(ccc1F)B(O)O 34a_100138415774_100011092044 [0,2,0,0,0,0|1,0,1]=4 4474 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200000210301 [0,2,0,0,0,0|1,0,1]=4 4475 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 34a_100138415774_100012145679 [0,2,0,0,0,0|1,0,1]=4 4476 B13R1.354 COCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200000210301 [0,2,0,0,0,0|1,0,1]=4 4477 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|1,0,0]=3 4478 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|1,0,1]=4 4479 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,2,0,0,0,0|1,1,0]=4 4480 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100000075575_200025704644 [0,2,0,0,0,0|1,0,1]=4 4481 B13R1.354 Cc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100000075575_200025704644 [0,2,0,0,0,0|1,0,1]=4 4482 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 34a_100000188646_100015361967 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 7a_100000188646_100015361967 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000740739_100015361967 [0,2,0,0,0,0|1,0,1]=4 4485 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000740739_100015361967 [0,2,0,0,0,0|1,0,1]=4 4486 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100000186401_100015361967 [0,2,0,0,0,0|1,1,0]=4 4487 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100015361967_100000186401 [0,2,0,0,0,0|1,1,0]=4 4488 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl 34a_100000736751_100015361967 [0,2,0,0,0,0|2,0,0]=4 4489 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 34a_100000740466_100015361967 [0,2,0,0,0,0|2,0,0]=4 4490 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,2,0,0,0,0|1,0,0]=3 4491 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,2,0,0,0,0|1,0,0]=3 4492 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,2,0,0,0,0|1,0,0]=3 4493 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,2,0,0,0,0|1,0,0]=3 4494 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100011202321_100015361967 [0,2,0,0,0,0|1,1,0]=4 4495 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011202321 [0,2,0,0,0,0|1,1,0]=4 4496 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,2,0,0,0,0|1,0,1]=4 4497 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,2,0,0,0,0|1,0,1]=4 4498 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 34a_100000691124_100015361967 [0,2,0,0,0,0|1,0,1]=4 4499 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 7a_100000691124_100015361967 [0,2,0,0,0,0|1,0,1]=4 4500 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 34a_100000188705_100015361967 [0,2,0,0,0,0|1,0,1]=4 4501 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 7a_100000188705_100015361967 [0,2,0,0,0,0|1,0,1]=4 4502 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 34a_100011294461_100015361967 [0,2,0,0,0,0|1,0,1]=4 4503 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 7a_100011294461_100015361967 [0,2,0,0,0,0|1,0,1]=4 4504 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 34a_100000072739_100015361967 [0,2,0,0,0,0|1,0,1]=4 4505 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 7a_100000072739_100015361967 [0,2,0,0,0,0|1,0,1]=4 4506 B13R1.354 [13CH3]OCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_200025704644 [0,2,0,0,0,0|1,0,1]=4 4507 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_200025704644 [0,2,0,0,0,0|1,0,1]=4 4508 B13R1.354 [13CH3]OCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_200025704644 [0,2,0,0,0,0|1,0,1]=4 4509 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_200025704644 [0,2,0,0,0,0|1,0,1]=4 4510 B13R1.354 [13CH3]OCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_200025704644 [0,2,0,0,0,0|1,0,1]=4 4511 B13R1.651 C=C(C)c1cc(c(cc1Br)Br)OC 271570a_100000694244_200014006352 [0,2,0,0,0,0|2,0,0]=4 4512 B13R1.651 C=C(C)c1cc(c(cc1C)F)OC 271570a_100000694244_100011009880 [0,2,0,0,0,0|2,0,0]=4 4513 B13R1.651 C=C(C)c1cc(c(cc1C)N)OC 271570a_100000694244_100010141321 [0,2,0,0,0,0|2,0,0]=4 4514 B13R1.651 C=C(C)c1cc(c(cc1F)Cl)OC 271570a_100000694244_100010739614 [0,2,0,0,0,0|2,0,0]=4 4515 B13R1.651 C=C(C)c1cc(c(cc1F)F)OC 271570a_100000694244_200015541288 [0,2,0,0,0,0|2,0,0]=4 4516 B13R1.651 C=C(C)c1cc(c(cc1F)N)OC 271570a_100000694244_100012766639 [0,2,0,0,0,0|2,0,0]=4 4517 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,2,0,0,0,0|2,0,0]=4 4518 B13R1.651 C=C(C)c1cc(c(cc1N)C)OC 271570a_100000694244_200010584344 [0,2,0,0,0,0|2,0,0]=4 4519 B13R1.651 C=C(C)c1cc(c(cc1N)F)OC 271570a_100000694244_100010365326 [0,2,0,0,0,0|2,0,0]=4 4520 B13R1.651 CC(=O)c1cc(c(cc1F)F)S[13CH3] 62a_100009817148_200025704644 [0,2,0,0,0,0|1,1,0]=4 4521 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,2,0,0,0,0|1,1,0]=4 4522 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,2,0,0,0,0|1,1,0]=4 4523 B13R1.651 CNc1cc(c(cc1F)F)C(=O)N 27a_100102657272_100015235948 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.651 COc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4525 B13R1.651 COc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200000210301 [0,2,0,0,0,0|1,0,1]=4 4526 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200000210301 [0,2,0,0,0,0|1,0,1]=4 4527 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200000210301 [0,2,0,0,0,0|1,0,1]=4 4528 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,2,0,0,0,0|1,0,0]=3 4529 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,2,0,0,0,0|1,0,0]=3 4530 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_200000210301 [0,2,0,0,0,0|1,0,1]=4 4531 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_200000210301 [0,2,0,0,0,0|1,0,1]=4 4532 B13R1.651 COc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200000210301 [0,2,0,0,0,0|1,0,1]=4 4533 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200000210301 [0,2,0,0,0,0|1,0,1]=4 4534 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200000210301 [0,2,0,0,0,0|1,0,1]=4 4535 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,2,0,0,0,0|1,0,0]=3 4536 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,2,0,0,0,0|1,0,0]=3 4537 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200000210301 [0,2,0,0,0,0|1,0,1]=4 4538 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200000210301 [0,2,0,0,0,0|1,0,1]=4 4539 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_200000210301 [0,2,0,0,0,0|1,0,1]=4 4540 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_200000210301 [0,2,0,0,0,0|1,0,1]=4 4541 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200000210301 [0,2,0,0,0,0|1,0,1]=4 4542 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200000210301 [0,2,0,0,0,0|1,0,1]=4 4543 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,2,0,0,0,0|1,0,1]=4 4544 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,2,0,0,0,0|1,1,0]=4 4545 B13R1.651 CSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_200000210301 [0,2,0,0,0,0|1,1,0]=4 4546 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200000210301 [0,2,0,0,0,0|1,1,0]=4 4547 B13R1.651 CSc1cc(c(cc1F)F)C(=O)N 62a_200000210301_100015235948 [0,2,0,0,0,0|1,1,0]=4 4548 B13R1.651 CSc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200000210301 [0,2,0,0,0,0|1,1,0]=4 4549 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,2,0,0,0,0|1,1,0]=4 4550 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 34a_100000086363_200025704644 [0,2,0,0,0,0|1,0,1]=4 4551 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 7a_100000086363_200025704644 [0,2,0,0,0,0|1,0,1]=4 4552 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])Br 7a_100013414156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4553 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 34a_100010732485_200025704644 [0,2,0,0,0,0|1,0,1]=4 4554 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 7a_100010732485_200025704644 [0,2,0,0,0,0|1,0,1]=4 4555 B13R1.651 [13CH3]Oc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200025704644 [0,2,0,0,0,0|1,0,1]=4 4556 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200025704644 [0,2,0,0,0,0|1,0,1]=4 4557 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200025704644 [0,2,0,0,0,0|1,0,1]=4 4558 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200025704644 [0,2,0,0,0,0|1,0,1]=4 4559 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200025704644 [0,2,0,0,0,0|1,0,1]=4 4560 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200025704644 [0,2,0,0,0,0|1,0,1]=4 4561 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200025704644 [0,2,0,0,0,0|1,0,1]=4 4562 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200025704644 [0,2,0,0,0,0|1,0,1]=4 4563 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200025704644 [0,2,0,0,0,0|1,0,1]=4 4564 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200025704644 [0,2,0,0,0,0|1,0,1]=4 4565 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,2,0,0,0,0|1,0,1]=4 4566 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_100015235948_200025704644 [0,2,0,0,0,0|1,1,0]=4 4567 B13R1.651 [13CH3]Sc1cc(c(cc1F)F)C(=O)N 62a_200025704644_100015235948 [0,2,0,0,0,0|1,1,0]=4 4568 B13R1.651 [13CH3]Sc1cc(c(cc1F)N)C(=O)N 62a_100015444839_200025704644 [0,2,0,0,0,0|1,1,0]=4 4569 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,2,0,0,0,0|2,0,0]=4 4570 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,2,0,0,0,0|2,0,0]=4 4571 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,2,0,0,0,0|2,0,0]=4 4572 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|2,0,0]=4 4573 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|2,0,0]=4 4574 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,2,0,0,0,0|2,0,0]=4 4575 B13R1.3091 C=Cc1ccc(cc1OC)B(O)O 271570a_100011290941_100012355544 [0,2,0,0,0,0|1,0,1]=4 4576 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|1,0,0]=3 4577 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,2,0,0,0,0|1,0,0]=3 4578 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|2,0,0]=4 4579 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|1,0,0]=3 4580 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|1,0,0]=3 4581 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,2,0,0,0,0|1,0,1]=4 4582 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,2,0,0,0,0|1,0,0]=3 4583 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,2,0,0,0,0|1,0,0]=3 4584 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4585 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4586 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 4587 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 4588 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|1,0,0]=3 4589 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,2,0,0,0,0|1,0,1]=4 4590 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 4591 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 4592 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 4593 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 4594 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 4595 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 4596 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_100012355544_200000210301 [0,2,0,0,0,0|1,0,1]=4 4597 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_200000210301_100012355544 [0,2,0,0,0,0|1,0,1]=4 4598 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|1,0,0]=3 4599 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|1,0,0]=3 4600 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_100012355544_200025704644 [0,2,0,0,0,0|1,0,1]=4 4601 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100012355544 [0,2,0,0,0,0|1,0,1]=4 4602 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|1,0,0]=3 4603 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|1,0,0]=3 4604 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|2,0,0]=4 4605 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|1,0,0]=3 4606 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 4607 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 4608 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 4609 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 4610 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|1,0,0]=3 4611 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 4612 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 4613 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 4614 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 4615 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 4616 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 4617 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 4618 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 4619 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 4620 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 4621 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|1,1,0]=4 4622 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|1,1,0]=4 4623 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|1,1,0]=4 4624 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|1,1,0]=4 4625 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4626 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4627 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 4628 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 4629 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)Cl 271570a_100000694244_200135222481 [0,2,0,0,0,0|2,0,0]=4 4630 B13R1.3230 C=C(C)c1ccc(c(c1F)OC)N 271570a_100000694244_100010734149 [0,2,0,0,0,0|2,0,0]=4 4631 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_100010179980_200025704644 [0,2,0,0,0,0|1,1,0]=4 4632 B13R1.3230 CC(=O)c1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010179980 [0,2,0,0,0,0|1,1,0]=4 4633 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 34a_100000737156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4634 B13R1.3230 COc1c(ccc(c1C)[N+](=O)[O-])C 7a_100000737156_200000210301 [0,2,0,0,0,0|1,0,1]=4 4635 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 34a_100000117122_200000210301 [0,2,0,0,0,0|1,0,1]=4 4636 B13R1.3230 COc1c(ccc(c1Cl)[N+](=O)[O-])C 7a_100000117122_200000210301 [0,2,0,0,0,0|1,0,1]=4 4637 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,2,0,0,0,0|1,0,1]=4 4638 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,2,0,0,0,0|1,0,0]=3 4639 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,2,0,0,0,0|1,0,0]=3 4640 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,2,0,0,0,0|1,0,0]=3 4641 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,2,0,0,0,0|1,0,0]=3 4642 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,2,0,0,0,0|1,0,0]=3 4643 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,2,0,0,0,0|1,0,0]=3 4644 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200000210301 [0,2,0,0,0,0|1,0,1]=4 4645 B13R1.3230 COc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200000210301 [0,2,0,0,0,0|1,0,1]=4 4646 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)Cl 1458a_200134766191_200000210301 [0,2,0,0,0,0|1,1,0]=4 4647 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_200000210301 [0,2,0,0,0,0|1,1,0]=4 4648 B13R1.3230 CSc1c(ccc(c1F)C(=O)C)F 62a_200000210301_100010179980 [0,2,0,0,0,0|1,1,0]=4 4649 B13R1.3230 CSc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_200134766191_200025704644 [0,2,0,0,0,0|1,1,0]=4 4650 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 34a_100000737156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4651 B13R1.3230 Cc1ccc(c(c1O[13CH3])C)[N+](=O)[O-] 7a_100000737156_200025704644 [0,2,0,0,0,0|1,0,1]=4 4652 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 34a_100000117122_200025704644 [0,2,0,0,0,0|1,0,1]=4 4653 B13R1.3230 Cc1ccc(c(c1O[13CH3])Cl)[N+](=O)[O-] 7a_100000117122_200025704644 [0,2,0,0,0,0|1,0,1]=4 4654 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_200025704644 [0,2,0,0,0,0|1,0,1]=4 4655 B13R1.3230 [13CH3]Oc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_200025704644 [0,2,0,0,0,0|1,0,1]=4 4656 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)C 1458a_100000066590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)O 1458a_100000117378_200000210301 [0,2,0,0,0,0|2,0,0]=4 4658 B13R1.345 CC(=O)c1cccc(c1)S(=O)(=O)C 1458a_100000184887_200000210301 [0,2,0,0,0,0|1,1,0]=4 4659 B13R1.345 CC(C)(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000066590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.345 CC(C)(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000117378_200025704644 [0,2,0,0,0,0|2,0,0]=4 4661 B13R1.345 CS(=O)(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000184887_200025704644 [0,2,0,0,0,0|1,1,0]=4 4662 B13R1.543 C=C(C)c1cc(ccn1)C(=O)OC 271570a_100000694244_100011934382 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.543 C=C(C)c1cccc(c1)C(=O)C#N 271570a_100000694244_100010169886 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.543 C=C(C)c1cccc(c1)C(=O)C=O 271570a_100000694244_100000726164 [0,2,0,0,0,0|1,0,1]=4 4665 B13R1.543 C=C(C)c1cccc(c1)C(=O)CC 271570a_100000694244_100000211677 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.543 C=C(C)c1cccc(c1)C(=O)CN 271570a_100000694244_100020587001 [0,2,0,0,0,0|2,0,0]=4 4667 B13R1.543 C=C(C)c1cccc(c1)C(=O)NC 271570a_100000694244_100000155082 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.543 C=C(C)c1cccc(c1)C(=O)NN 271570a_100000694244_100000189783 [0,2,0,0,0,0|2,0,0]=4 4669 B13R1.543 C=C(C)c1cccc(c1)C(=O)OC 271570a_100000694244_100000148679 [0,2,0,0,0,0|1,0,0]=3 4670 B13R1.543 C=C(C)c1cccc(n1)C(=O)OC 271570a_100000694244_100000708286 [0,2,0,0,0,0|2,0,0]=4 4671 B13R1.543 C=C(C)c1ccnc(c1)C(=O)OC 271570a_100000694244_100000693414 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.543 C=C(C)c1cncc(c1)C(=O)OC 271570a_100000694244_100000148912 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.543 CC(=O)c1cccc(c1)C(C)C#N 1458a_100000049063_200000210301 [0,2,0,0,0,0|2,0,0]=4 4674 B13R1.543 CC(C#N)c1cccc(c1)C(=O)[13CH3] 1458a_100000049063_200025704644 [0,2,0,0,0,0|2,0,0]=4 4675 B13R1.543 CC(C)c1cccc(c1)C(=O)CF 1458a_100011934808_100015361967 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.543 CC(O)c1cccc(c1)C(=O)CF 1458a_100000090953_100015361967 [0,2,0,0,0,0|2,0,0]=4 4677 B13R1.543 CC(O[13CH3])c1cccc(c1)[N+](=O)[O-] 34a_100000246462_200025704644 [0,2,0,0,0,0|1,0,1]=4 4678 B13R1.543 CC(O[13CH3])c1cccc(c1)[N+](=O)[O-] 7a_100000246462_200025704644 [0,2,0,0,0,0|1,0,1]=4 4679 B13R1.543 CCC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_100000210202 [0,2,0,0,0,0|2,0,0]=4 4680 B13R1.543 CCC(=O)c1cccc(c1)C(C)C 1458a_100011934808_100000210202 [0,2,0,0,0,0|2,0,0]=4 4681 B13R1.543 CCC(=O)c1cccc(c1)C(C)O 1458a_100000090953_100000210202 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.543 CCC(=O)c1cccc(c1)N(C)C 1458a_100000210872_100000210202 [0,2,0,0,0,0|2,0,0]=4 4683 B13R1.543 CCN(C)c1cccc(c1)C(=O)O 269956a_100159270034_200000210301 [0,2,0,0,0,0|1,0,0]=3 4684 B13R1.543 CCN([13CH3])c1cccc(c1)C(=O)O 269956a_100159270034_200025704644 [0,2,0,0,0,0|1,0,0]=3 4685 B13R1.543 CN(C)c1cccc(c1)C(=O)CF 1458a_100000210872_100015361967 [0,2,0,0,0,0|2,0,0]=4 4686 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 11a_106832991635_100000736676 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 1626a_100102657272_100000736676 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 240690a_100102657272_100000736676 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.543 CNC(=O)c1cccc(c1)C(=O)N 527a_100102657272_100000736676 [0,2,0,0,0,0|2,0,0]=4 4690 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 11a_106832991635_100011934808 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 1626a_100102657272_100011934808 [0,2,0,0,0,0|2,0,0]=4 4692 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 240690a_100102657272_100011934808 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 527a_100102657272_100011934808 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.543 CNC(=O)c1cccc(c1)C(C)O 240690a_100102657272_100000090953 [0,2,0,0,0,0|2,0,0]=4 4695 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 11a_106832991635_100000210872 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 1626a_100102657272_100000210872 [0,2,0,0,0,0|2,0,0]=4 4697 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 240690a_100102657272_100000210872 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 527a_100102657272_100000210872 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.543 CN[C@H](C)c1cccc(c1)C(=O)O 269956a_102495333982_200000210301 [0,2,0,0,0,0|1,0,0]=3 4700 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1458a_100000035267_200000210301 [0,2,0,0,0,0|1,0,0]=3 4701 B13R1.543 COC(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000035267_200025704644 [0,2,0,0,0,0|1,0,0]=3 4702 B13R1.543 COC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000708286 [0,2,0,0,0,0|2,0,0]=4 4703 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 34a_100000246462_200000210301 [0,2,0,0,0,0|1,0,1]=4 4704 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000209821 [0,2,0,0,0,0|1,0,1]=4 4705 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 7a_100000246462_200000210301 [0,2,0,0,0,0|1,0,1]=4 4706 B13R1.543 C[C@@H](N[13CH3])c1cccc(c1)C(=O)O 269956a_102495333982_200025704644 [0,2,0,0,0,0|1,0,0]=3 4707 B13R1.543 NC(=O)c1cccc(c1)C(=O)CF 1458a_100000736676_100015361967 [0,2,0,0,0,0|2,0,0]=4 4708 B13R1.3801 C=C(C)c1cccc(c1C)C(=O)C 271570a_100000694244_100012706834 [0,2,0,0,0,0|2,0,0]=4 4709 B13R1.3801 C=C(C)c1cccc(c1C)C(=O)N 271570a_100000694244_200012298201 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.3801 C=C(C)c1cccc(c1F)C(=O)C 271570a_100000694244_100012355707 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.3801 C=C(C)c1cccc(c1F)C(=O)N 271570a_100000694244_100012351131 [0,2,0,0,0,0|2,0,0]=4 4712 B13R1.3801 C=C(C)c1cccc(c1N)C(=O)N 271570a_100000694244_100010144993 [0,2,0,0,0,0|2,0,0]=4 4713 B13R1.3801 C=C(C)c1cccc(c1O)C(=O)C 271570a_100000694244_100009815558 [0,2,0,0,0,0|2,0,0]=4 4714 B13R1.3801 CC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_200000210301 [0,2,0,0,0,0|2,0,0]=4 4715 B13R1.3801 CC(C)c1cccc(c1O)C(=O)[13CH3] 1458a_200011217578_200025704644 [0,2,0,0,0,0|2,0,0]=4 4716 B13R1.374 C=C=Cc1cccc(c1)C(=O)OC 271570a_100015277604_100000148679 [0,2,0,0,0,0|1,0,1]=4 4717 B13R1.374 CC(=NN)c1cccc(c1)OCF 34a_100000689795_100015361967 [0,2,0,0,0,0|2,0,0]=4 4718 B13R1.374 CC=Cc1cc(ccn1)C(=O)OC 271570a_100016259895_100011934382 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.374 CC=Cc1cccc(c1)C(=O)C#N 271570a_100016259895_100010169886 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.374 CC=Cc1cccc(c1)C(=O)C=O 271570a_100016259895_100000726164 [0,2,0,0,0,0|1,0,1]=4 4721 B13R1.374 CC=Cc1cccc(c1)C(=O)CC 271570a_100016259895_100000211677 [0,2,0,0,0,0|2,0,0]=4 4722 B13R1.374 CC=Cc1cccc(c1)C(=O)CN 271570a_100016259895_100020587001 [0,2,0,0,0,0|2,0,0]=4 4723 B13R1.374 CC=Cc1cccc(c1)C(=O)NC 271570a_100016259895_100000155082 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.374 CC=Cc1cccc(c1)C(=O)NN 271570a_100016259895_100000189783 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.374 CC=Cc1cccc(c1)C(=O)OC 271570a_100016259895_100000148679 [0,2,0,0,0,0|1,0,0]=3 4726 B13R1.374 CC=Cc1cccc(n1)C(=O)OC 271570a_100016259895_100000708286 [0,2,0,0,0,0|2,0,0]=4 4727 B13R1.374 CC=Cc1ccnc(c1)C(=O)OC 271570a_100016259895_100000693414 [0,2,0,0,0,0|2,0,0]=4 4728 B13R1.374 CC=Cc1cncc(c1)C(=O)OC 271570a_100016259895_100000148912 [0,2,0,0,0,0|2,0,0]=4 4729 B13R1.374 CCC(=O)c1cccc(c1)CCO 1458a_100009869812_100000210202 [0,2,0,0,0,0|2,0,0]=4 4730 B13R1.374 CCC(=O)c1cccc(c1)CNC 26a_100102657272_100011996911 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.374 CCC(=O)c1cccc(c1)COC 1458a_100000199024_100000210202 [0,2,0,0,0,0|1,0,0]=3 4732 B13R1.374 CCC(=O)c1cccc(c1)OCF 34a_100011996911_100015361967 [0,2,0,0,0,0|1,0,0]=3 4733 B13R1.374 CCC(=O)c1cccc(c1)OCF 7a_100011996911_100015361967 [0,2,0,0,0,0|1,0,0]=3 4734 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100000211677_100015361967 [0,2,0,0,0,0|1,1,0]=4 4735 B13R1.374 CCC(=O)c1cccc(c1)SCF 62a_100015361967_100000211677 [0,2,0,0,0,0|1,1,0]=4 4736 B13R1.374 CCNc1cccc(c1)C(=O)NC 34a_100000185133_100000210202 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.374 CCNc1cccc(n1)C(=O)OC 27a_100015525214_100000708286 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.374 CCOc1cc(ccn1)C(=O)OC 34a_100138552365_100000210202 [0,2,0,0,0,0|1,0,0]=3 4739 B13R1.374 CCOc1cccc(c1)C(=NN)C 34a_100000689795_100000210202 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.374 CCOc1cccc(c1)C(=NO)N 34a_100000738085_100000210202 [0,2,0,0,0,0|1,0,0]=3 4741 B13R1.374 CCOc1cccc(c1)C(=O)CBr 7a_100009813753_100000210202 [0,2,0,0,0,0|1,0,0]=3 4742 B13R1.374 CCOc1cccc(c1)C(=O)CC 1458a_100000216331_100000210202 [0,2,0,0,0,0|1,0,0]=3 4743 B13R1.374 CCOc1cccc(c1)C(=O)CC 34a_100011996911_100000210202 [0,2,0,0,0,0|1,0,0]=3 4744 B13R1.374 CCOc1cccc(c1)C(=O)CC 7a_100011996911_100000210202 [0,2,0,0,0,0|1,0,0]=3 4745 B13R1.374 CCOc1cccc(c1)C(=O)CF 1458a_100000216331_100015361967 [0,2,0,0,0,0|1,0,0]=3 4746 B13R1.374 CCOc1cccc(c1)C(=O)NC 11a_106832991635_100000216331 [0,2,0,0,0,0|1,0,0]=3 4747 B13R1.374 CCOc1cccc(c1)C(=O)NC 1626a_100102657272_100000216331 [0,2,0,0,0,0|1,0,0]=3 4748 B13R1.374 CCOc1cccc(c1)C(=O)NC 240690a_100102657272_100000216331 [0,2,0,0,0,0|1,0,0]=3 4749 B13R1.374 CCOc1cccc(c1)C(=O)NC 34a_100000159807_100000210202 [0,2,0,0,0,0|1,0,0]=3 4750 B13R1.374 CCOc1cccc(c1)C(=O)NC 527a_100102657272_100000216331 [0,2,0,0,0,0|1,0,0]=3 4751 B13R1.374 CCOc1cccc(c1)C(=O)NC 7a_100000159807_100000210202 [0,2,0,0,0,0|1,0,0]=3 4752 B13R1.374 CCOc1cccc(c1)C(=O)NN 34a_100000184184_100000210202 [0,2,0,0,0,0|1,0,0]=3 4753 B13R1.374 CCOc1cccc(c1)C(=O)OC 34a_100000150331_100000210202 [0,2,0,0,0,0|0,0,0]=2 4754 B13R1.374 CCOc1cccc(c1)C(=O)OC 7a_100000150331_100000210202 [0,2,0,0,0,0|0,0,0]=2 4755 B13R1.374 CCOc1cccc(c1)C(N)CO 34a_100025717460_100000210202 [0,2,0,0,0,0|1,0,1]=4 4756 B13R1.374 CCOc1cccc(c1)C(O)CN 34a_100020657549_100000210202 [0,2,0,0,0,0|1,0,1]=4 4757 B13R1.374 CCOc1ccnc(c1)C(=O)OC 34a_200020638413_100000210202 [0,2,0,0,0,0|1,0,0]=3 4758 B13R1.374 CCOc1cncc(c1)C(=O)OC 34a_100000687108_100000210202 [0,2,0,0,0,0|1,0,0]=3 4759 B13R1.374 CCOc1cncc(c1)C(=O)OC 7a_100000687108_100000210202 [0,2,0,0,0,0|1,0,0]=3 4760 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100000210202_100011934382 [0,2,0,0,0,0|1,1,0]=4 4761 B13R1.374 CCSc1cc(ccn1)C(=O)OC 62a_100011934382_100000210202 [0,2,0,0,0,0|1,1,0]=4 4762 B13R1.374 CCSc1cccc(c1)C(=O)C#N 62a_100000210202_100010169886 [0,2,0,0,0,0|1,1,0]=4 4763 B13R1.374 CCSc1cccc(c1)C(=O)C=O 62a_100000210202_100000726164 [0,2,0,0,0,0|0,1,1]=4 4764 B13R1.374 CCSc1cccc(c1)C(=O)C=O 62a_100000726164_100000210202 [0,2,0,0,0,0|0,1,1]=4 4765 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000210202_100000211677 [0,2,0,0,0,0|1,1,0]=4 4766 B13R1.374 CCSc1cccc(c1)C(=O)CC 62a_100000211677_100000210202 [0,2,0,0,0,0|1,1,0]=4 4767 B13R1.374 CCSc1cccc(c1)C(=O)CN 62a_100000210202_100020587001 [0,2,0,0,0,0|1,1,0]=4 4768 B13R1.374 CCSc1cccc(c1)C(=O)CN 62a_100020587001_100000210202 [0,2,0,0,0,0|1,1,0]=4 4769 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000155082_100000210202 [0,2,0,0,0,0|1,1,0]=4 4770 B13R1.374 CCSc1cccc(c1)C(=O)NC 62a_100000210202_100000155082 [0,2,0,0,0,0|1,1,0]=4 4771 B13R1.374 CCSc1cccc(c1)C(=O)NN 62a_100000189783_100000210202 [0,2,0,0,0,0|1,1,0]=4 4772 B13R1.374 CCSc1cccc(c1)C(=O)NN 62a_100000210202_100000189783 [0,2,0,0,0,0|1,1,0]=4 4773 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000148848_100000210202 [0,2,0,0,0,0|0,1,0]=3 4774 B13R1.374 CCSc1cccc(c1)C(=O)OC 62a_100000210202_100000148848 [0,2,0,0,0,0|0,1,0]=3 4775 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000210202_100000708286 [0,2,0,0,0,0|1,1,0]=4 4776 B13R1.374 CCSc1cccc(n1)C(=O)OC 62a_100000708286_100000210202 [0,2,0,0,0,0|1,1,0]=4 4777 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000210202_100000693414 [0,2,0,0,0,0|1,1,0]=4 4778 B13R1.374 CCSc1ccnc(c1)C(=O)OC 62a_100000693414_100000210202 [0,2,0,0,0,0|1,1,0]=4 4779 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000148912_100000210202 [0,2,0,0,0,0|1,1,0]=4 4780 B13R1.374 CCSc1cncc(c1)C(=O)OC 62a_100000210202_100000148912 [0,2,0,0,0,0|1,1,0]=4 4781 B13R1.374 CNC(=O)c1cccc(c1)CCO 1626a_100102657272_100009869812 [0,2,0,0,0,0|2,0,0]=4 4782 B13R1.374 CNC(=O)c1cccc(c1)CCO 240690a_100102657272_100009869812 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.374 CNC(=O)c1cccc(c1)COC 11a_106832991635_100000199024 [0,2,0,0,0,0|1,0,0]=3 4784 B13R1.374 CNC(=O)c1cccc(c1)COC 1626a_100102657272_100000199024 [0,2,0,0,0,0|1,0,0]=3 4785 B13R1.374 CNC(=O)c1cccc(c1)COC 240690a_100102657272_100000199024 [0,2,0,0,0,0|1,0,0]=3 4786 B13R1.374 CNC(=O)c1cccc(c1)COC 34a_100138415774_100000755619 [0,2,0,0,0,0|1,0,0]=3 4787 B13R1.374 CNC(=O)c1cccc(c1)COC 527a_100102657272_100000199024 [0,2,0,0,0,0|1,0,0]=3 4788 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_100000755619_200000210301 [0,2,0,0,0,0|1,1,0]=4 4789 B13R1.374 CNC(=O)c1cccc(c1)CSC 62a_200000210301_100000755619 [0,2,0,0,0,0|1,1,0]=4 4790 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_100000755619_200025704644 [0,2,0,0,0,0|1,1,0]=4 4791 B13R1.374 CNC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000755619 [0,2,0,0,0,0|1,1,0]=4 4792 B13R1.374 CNC(=O)c1cccc(c1)NCF 34a_100000185133_100015361967 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.374 CNC(=O)c1cccc(c1)OCF 34a_100000159807_100015361967 [0,2,0,0,0,0|1,0,0]=3 4794 B13R1.374 CNC(=O)c1cccc(c1)OCF 7a_100000159807_100015361967 [0,2,0,0,0,0|1,0,0]=3 4795 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100000155082_100015361967 [0,2,0,0,0,0|1,1,0]=4 4796 B13R1.374 CNC(=O)c1cccc(c1)SCF 62a_100015361967_100000155082 [0,2,0,0,0,0|1,1,0]=4 4797 B13R1.374 CNCc1cc(ccn1)C(=O)OC 2230a_106832991635_100020667620 [0,2,0,0,0,0|2,0,0]=4 4798 B13R1.374 CNCc1cc(ccn1)C(=O)OC 270004a_106832991635_100009884558 [0,2,0,0,0,0|2,0,0]=4 4799 B13R1.374 CNCc1cc(ccn1)C(=O)OC 7a_106832991635_100020667620 [0,2,0,0,0,0|2,0,0]=4 4800 B13R1.374 CNCc1cccc(c1)C(=O)CBr 26a_100102657272_100009813753 [0,2,0,0,0,0|2,0,0]=4 4801 B13R1.374 CNCc1cccc(c1)C(=O)NC 2230a_106832991635_100000755619 [0,2,0,0,0,0|2,0,0]=4 4802 B13R1.374 CNCc1cccc(c1)C(=O)NC 34a_100102657272_100000755619 [0,2,0,0,0,0|2,0,0]=4 4803 B13R1.374 CNCc1cccc(c1)C(=O)NC 7a_106832991635_100000755619 [0,2,0,0,0,0|2,0,0]=4 4804 B13R1.374 CNCc1cccc(c1)C(=O)OC 2230a_106832991635_100000184886 [0,2,0,0,0,0|1,0,0]=3 4805 B13R1.374 CNCc1cccc(c1)C(=O)OC 26a_100102657272_100000150331 [0,2,0,0,0,0|1,0,0]=3 4806 B13R1.374 CNCc1cccc(c1)C(=O)OC 270004a_106832991635_100000687630 [0,2,0,0,0,0|1,0,0]=3 4807 B13R1.374 CNCc1cccc(c1)C(=O)OC 34a_100102657272_100000184886 [0,2,0,0,0,0|1,0,0]=3 4808 B13R1.374 CNCc1cccc(c1)C(=O)OC 7a_106832991635_100000184886 [0,2,0,0,0,0|1,0,0]=3 4809 B13R1.374 CNCc1cccc(n1)C(=O)OC 2230a_106832991635_100000097194 [0,2,0,0,0,0|2,0,0]=4 4810 B13R1.374 CNCc1cccc(n1)C(=O)OC 270004a_106832991635_100000085286 [0,2,0,0,0,0|2,0,0]=4 4811 B13R1.374 CNCc1cccc(n1)C(=O)OC 34a_100102657272_100010006753 [0,2,0,0,0,0|2,0,0]=4 4812 B13R1.374 CNCc1cccc(n1)C(=O)OC 7a_106832991635_100000097194 [0,2,0,0,0,0|2,0,0]=4 4813 B13R1.374 CNCc1cncc(c1)C(=O)OC 2230a_106832991635_100020633827 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.374 CNCc1cncc(c1)C(=O)OC 7a_106832991635_100020633827 [0,2,0,0,0,0|2,0,0]=4 4815 B13R1.374 COC(=O)c1cc(ccn1)OCF 34a_200020638413_100015361967 [0,2,0,0,0,0|1,0,0]=3 4816 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100000693414_100015361967 [0,2,0,0,0,0|1,1,0]=4 4817 B13R1.374 COC(=O)c1cc(ccn1)SCF 62a_100015361967_100000693414 [0,2,0,0,0,0|1,1,0]=4 4818 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 34a_100000750316_200025704644 [0,2,0,0,0,0|0,0,0]=2 4819 B13R1.374 COC(=O)c1cccc(c1)CO[13CH3] 7a_100000750316_200025704644 [0,2,0,0,0,0|0,0,0]=2 4820 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_100000184886_200000210301 [0,2,0,0,0,0|0,1,0]=3 4821 B13R1.374 COC(=O)c1cccc(c1)CSC 62a_200000210301_100000184886 [0,2,0,0,0,0|0,1,0]=3 4822 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_100000184886_200025704644 [0,2,0,0,0,0|0,1,0]=3 4823 B13R1.374 COC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000184886 [0,2,0,0,0,0|0,1,0]=3 4824 B13R1.374 COC(=O)c1cccc(c1)OCF 34a_100000150331_100015361967 [0,2,0,0,0,0|0,0,0]=2 4825 B13R1.374 COC(=O)c1cccc(c1)OCF 7a_100000150331_100015361967 [0,2,0,0,0,0|0,0,0]=2 4826 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100000148848_100015361967 [0,2,0,0,0,0|0,1,0]=3 4827 B13R1.374 COC(=O)c1cccc(c1)SCF 62a_100015361967_100000148848 [0,2,0,0,0,0|0,1,0]=3 4828 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_100000097194_200000210301 [0,2,0,0,0,0|1,1,0]=4 4829 B13R1.374 COC(=O)c1cccc(n1)CSC 62a_200000210301_100010006753 [0,2,0,0,0,0|1,1,0]=4 4830 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_100000097194_200025704644 [0,2,0,0,0,0|1,1,0]=4 4831 B13R1.374 COC(=O)c1cccc(n1)CS[13CH3] 62a_200025704644_100010006753 [0,2,0,0,0,0|1,1,0]=4 4832 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100000708286_100015361967 [0,2,0,0,0,0|1,1,0]=4 4833 B13R1.374 COC(=O)c1cccc(n1)SCF 62a_100015361967_100000708286 [0,2,0,0,0,0|1,1,0]=4 4834 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_100020667620_200000210301 [0,2,0,0,0,0|1,1,0]=4 4835 B13R1.374 COC(=O)c1ccnc(c1)CSC 62a_200000210301_100020667620 [0,2,0,0,0,0|1,1,0]=4 4836 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_100020667620_200025704644 [0,2,0,0,0,0|1,1,0]=4 4837 B13R1.374 COC(=O)c1ccnc(c1)CS[13CH3] 62a_200025704644_100020667620 [0,2,0,0,0,0|1,1,0]=4 4838 B13R1.374 COC(=O)c1ccnc(c1)OCF 34a_100138552365_100015361967 [0,2,0,0,0,0|1,0,0]=3 4839 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100011934382_100015361967 [0,2,0,0,0,0|1,1,0]=4 4840 B13R1.374 COC(=O)c1ccnc(c1)SCF 62a_100015361967_100011934382 [0,2,0,0,0,0|1,1,0]=4 4841 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 34a_100009869914_200025704644 [0,2,0,0,0,0|1,0,0]=3 4842 B13R1.374 COC(=O)c1cncc(c1)CO[13CH3] 7a_100009869914_200025704644 [0,2,0,0,0,0|1,0,0]=3 4843 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_100020633827_200000210301 [0,2,0,0,0,0|1,1,0]=4 4844 B13R1.374 COC(=O)c1cncc(c1)CSC 62a_200000210301_100020633827 [0,2,0,0,0,0|1,1,0]=4 4845 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_100020633827_200025704644 [0,2,0,0,0,0|1,1,0]=4 4846 B13R1.374 COC(=O)c1cncc(c1)CS[13CH3] 62a_200025704644_100020633827 [0,2,0,0,0,0|1,1,0]=4 4847 B13R1.374 COC(=O)c1cncc(c1)OCF 34a_100000687108_100015361967 [0,2,0,0,0,0|1,0,0]=3 4848 B13R1.374 COC(=O)c1cncc(c1)OCF 7a_100000687108_100015361967 [0,2,0,0,0,0|1,0,0]=3 4849 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100000148912_100015361967 [0,2,0,0,0,0|1,1,0]=4 4850 B13R1.374 COC(=O)c1cncc(c1)SCF 62a_100015361967_100000148912 [0,2,0,0,0,0|1,1,0]=4 4851 B13R1.374 COCc1cccc(c1)C(=NO)N 34a_100011269994_200000210301 [0,2,0,0,0,0|1,0,0]=3 4852 B13R1.374 COCc1cccc(c1)C(=O)CF 1458a_100000199024_100015361967 [0,2,0,0,0,0|1,0,0]=3 4853 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100000750316_200000210301 [0,2,0,0,0,0|0,0,0]=2 4854 B13R1.374 COCc1cccc(c1)C(=O)OC 34a_100138415774_100000184886 [0,2,0,0,0,0|0,0,0]=2 4855 B13R1.374 COCc1cccc(c1)C(=O)OC 7a_100000750316_200000210301 [0,2,0,0,0,0|0,0,0]=2 4856 B13R1.374 COCc1cccc(n1)C(=O)OC 34a_100138415774_100010006753 [0,2,0,0,0,0|1,0,0]=3 4857 B13R1.374 COCc1cncc(c1)C(=O)OC 34a_100009869914_200000210301 [0,2,0,0,0,0|1,0,0]=3 4858 B13R1.374 COCc1cncc(c1)C(=O)OC 7a_100009869914_200000210301 [0,2,0,0,0,0|1,0,0]=3 4859 B13R1.374 N#CC(=O)c1cccc(c1)SCF 62a_100015361967_100010169886 [0,2,0,0,0,0|1,1,0]=4 4860 B13R1.374 NC(=NO)c1cccc(c1)OCF 34a_100000738085_100015361967 [0,2,0,0,0,0|1,0,0]=3 4861 B13R1.374 NC(CO)c1cccc(c1)OCF 34a_100025717460_100015361967 [0,2,0,0,0,0|1,0,1]=4 4862 B13R1.374 NCC(=O)c1cccc(c1)SCF 62a_100015361967_100020587001 [0,2,0,0,0,0|1,1,0]=4 4863 B13R1.374 NCC(=O)c1cccc(c1)SCF 62a_100020587001_100015361967 [0,2,0,0,0,0|1,1,0]=4 4864 B13R1.374 NCC(O)c1cccc(c1)OCF 34a_100020657549_100015361967 [0,2,0,0,0,0|1,0,1]=4 4865 B13R1.374 NNC(=O)c1cccc(c1)OCF 34a_100000184184_100015361967 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.374 NNC(=O)c1cccc(c1)SCF 62a_100000189783_100015361967 [0,2,0,0,0,0|1,1,0]=4 4867 B13R1.374 NNC(=O)c1cccc(c1)SCF 62a_100015361967_100000189783 [0,2,0,0,0,0|1,1,0]=4 4868 B13R1.374 O=C(CBr)c1cccc(c1)OCF 7a_100009813753_100015361967 [0,2,0,0,0,0|1,0,0]=3 4869 B13R1.374 O=C(CF)c1cccc(c1)CCO 1458a_100009869812_100015361967 [0,2,0,0,0,0|2,0,0]=4 4870 B13R1.374 O=CC(=O)c1cccc(c1)SCF 62a_100000726164_100015361967 [0,2,0,0,0,0|0,1,1]=4 4871 B13R1.374 O=CC(=O)c1cccc(c1)SCF 62a_100015361967_100000726164 [0,2,0,0,0,0|0,1,1]=4 4872 B13R1.374 [13CH3]OCc1cccc(c1)C(=NO)N 34a_100011269994_200025704644 [0,2,0,0,0,0|1,0,0]=3 4873 B13R1.375 CC(C)(O)c1cccc(c1)OCF 34a_200000085863_100015361967 [0,2,0,0,0,0|1,0,1]=4 4874 B13R1.375 CC(C)(O)c1cccc(c1)OCF 7a_200000085863_100015361967 [0,2,0,0,0,0|1,0,1]=4 4875 B13R1.375 CCOc1cccc(c1)C(C)(C)O 34a_200000085863_100000210202 [0,2,0,0,0,0|1,0,1]=4 4876 B13R1.375 CCOc1cccc(c1)C(C)(C)O 7a_200000085863_100000210202 [0,2,0,0,0,0|1,0,1]=4 4877 B13R1.375 CCOc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_100000210202 [0,2,0,0,0,0|1,0,1]=4 4878 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100012180062_200000210301 [0,2,0,0,0,0|1,0,1]=4 4879 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 34a_100138415774_100009817112 [0,2,0,0,0,0|1,0,1]=4 4880 B13R1.375 COCc1cccc(c1)S(=O)(=O)C 7a_100012180062_200000210301 [0,2,0,0,0,0|1,0,1]=4 4881 B13R1.375 COCc1cccc(c1)S(=O)(=O)N 34a_100138415774_100010205824 [0,2,0,0,0,0|1,0,1]=4 4882 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 34a_100012180062_200025704644 [0,2,0,0,0,0|1,0,1]=4 4883 B13R1.375 CS(=O)(=O)c1cccc(c1)CO[13CH3] 7a_100012180062_200025704644 [0,2,0,0,0,0|1,0,1]=4 4884 B13R1.375 O=S(=O)([O-])c1cccc(c1)OCF 7a_100000116945_100015361967 [0,2,0,0,0,0|1,0,1]=4 4885 B13R1.377 C=C(C)c1cccc(c1C)COC 271570a_100000694244_100102485947 [0,2,0,0,0,0|2,0,0]=4 4886 B13R1.377 C=C(C)c1cccc(c1N)OCC 271570a_100000694244_200103155331 [0,2,0,0,0,0|2,0,0]=4 4887 B13R1.377 CC(=O)c1cccc(c1C)OCF 34a_200009877264_100015361967 [0,2,0,0,0,0|1,0,0]=3 4888 B13R1.377 CC(=O)c1cccc(c1C)OCF 7a_200009877264_100015361967 [0,2,0,0,0,0|1,0,0]=3 4889 B13R1.377 CC(=O)c1cccc(c1C)SCF 62a_100012706834_100015361967 [0,2,0,0,0,0|1,1,0]=4 4890 B13R1.377 CC(=O)c1cccc(c1C)SCF 62a_100015361967_100012706834 [0,2,0,0,0,0|1,1,0]=4 4891 B13R1.377 CC(=O)c1cccc(c1F)OCF 34a_100009856408_100015361967 [0,2,0,0,0,0|1,0,0]=3 4892 B13R1.377 CC(=O)c1cccc(c1F)OCF 7a_100009856408_100015361967 [0,2,0,0,0,0|1,0,0]=3 4893 B13R1.377 CC(=O)c1cccc(c1F)SCF 62a_100012355707_100015361967 [0,2,0,0,0,0|1,1,0]=4 4894 B13R1.377 CC(=O)c1cccc(c1F)SCF 62a_100015361967_100012355707 [0,2,0,0,0,0|1,1,0]=4 4895 B13R1.377 CC(=O)c1cccc(c1N)OCF 7a_100000036053_100015361967 [0,2,0,0,0,0|1,0,0]=3 4896 B13R1.377 CC=Cc1cccc(c1C)C(=O)C 271570a_100016259895_100012706834 [0,2,0,0,0,0|2,0,0]=4 4897 B13R1.377 CC=Cc1cccc(c1C)C(=O)N 271570a_100016259895_200012298201 [0,2,0,0,0,0|2,0,0]=4 4898 B13R1.377 CC=Cc1cccc(c1F)C(=O)C 271570a_100016259895_100012355707 [0,2,0,0,0,0|2,0,0]=4 4899 B13R1.377 CC=Cc1cccc(c1F)C(=O)N 271570a_100016259895_100012351131 [0,2,0,0,0,0|2,0,0]=4 4900 B13R1.377 CC=Cc1cccc(c1N)C(=O)N 271570a_100016259895_100010144993 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.377 CC=Cc1cccc(c1O)C(=O)C 271570a_100016259895_100009815558 [0,2,0,0,0,0|2,0,0]=4 4902 B13R1.377 CCNc1cccc(c1C)C(=O)N 34a_100000738810_100000210202 [0,2,0,0,0,0|2,0,0]=4 4903 B13R1.377 CCNc1cccc(c1C)C(=O)N 7a_100000738810_100000210202 [0,2,0,0,0,0|2,0,0]=4 4904 B13R1.377 CCNc1cccc(c1F)C(=O)N 34a_100014075672_100000210202 [0,2,0,0,0,0|2,0,0]=4 4905 B13R1.377 CCOc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_100000210202 [0,2,0,0,0,0|1,0,1]=4 4906 B13R1.377 CCOc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_100000210202 [0,2,0,0,0,0|1,0,1]=4 4907 B13R1.377 CCOc1cccc(c1C)C(=O)C 34a_200009877264_100000210202 [0,2,0,0,0,0|1,0,0]=3 4908 B13R1.377 CCOc1cccc(c1C)C(=O)C 7a_200009877264_100000210202 [0,2,0,0,0,0|1,0,0]=3 4909 B13R1.377 CCOc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_100000210202 [0,2,0,0,0,0|1,0,1]=4 4910 B13R1.377 CCOc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_100000210202 [0,2,0,0,0,0|1,0,1]=4 4911 B13R1.377 CCOc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_100000210202 [0,2,0,0,0,0|1,0,1]=4 4912 B13R1.377 CCOc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_100000210202 [0,2,0,0,0,0|1,0,1]=4 4913 B13R1.377 CCOc1cccc(c1F)C(=O)C 1458a_100000100213_200000210301 [0,2,0,0,0,0|1,0,0]=3 4914 B13R1.377 CCOc1cccc(c1F)C(=O)C 34a_100009856408_100000210202 [0,2,0,0,0,0|1,0,0]=3 4915 B13R1.377 CCOc1cccc(c1F)C(=O)C 7a_100009856408_100000210202 [0,2,0,0,0,0|1,0,0]=3 4916 B13R1.377 CCOc1cccc(c1F)C(=O)N 34a_100009841371_100000210202 [0,2,0,0,0,0|1,0,0]=3 4917 B13R1.377 CCOc1cccc(c1F)C(=O)N 7a_100009841371_100000210202 [0,2,0,0,0,0|1,0,0]=3 4918 B13R1.377 CCOc1cccc(c1F)C(=O)[13CH3] 1458a_100000100213_200025704644 [0,2,0,0,0,0|1,0,0]=3 4919 B13R1.377 CCOc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_100000210202 [0,2,0,0,0,0|1,0,1]=4 4920 B13R1.377 CCOc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_100000210202 [0,2,0,0,0,0|1,0,1]=4 4921 B13R1.377 CCOc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_100000210202 [0,2,0,0,0,0|1,0,1]=4 4922 B13R1.377 CCOc1cccc(c1N)C(=O)C 7a_100000036053_100000210202 [0,2,0,0,0,0|1,0,0]=3 4923 B13R1.377 CCOc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_100000210202 [0,2,0,0,0,0|1,0,1]=4 4924 B13R1.377 CCSc1cccc(c1C)C(=O)C 62a_100000210202_100012706834 [0,2,0,0,0,0|1,1,0]=4 4925 B13R1.377 CCSc1cccc(c1C)C(=O)C 62a_100012706834_100000210202 [0,2,0,0,0,0|1,1,0]=4 4926 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_100000210202_200012298201 [0,2,0,0,0,0|1,1,0]=4 4927 B13R1.377 CCSc1cccc(c1C)C(=O)N 62a_200012298201_100000210202 [0,2,0,0,0,0|1,1,0]=4 4928 B13R1.377 CCSc1cccc(c1F)C(=O)C 62a_100000210202_100012355707 [0,2,0,0,0,0|1,1,0]=4 4929 B13R1.377 CCSc1cccc(c1F)C(=O)C 62a_100012355707_100000210202 [0,2,0,0,0,0|1,1,0]=4 4930 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100000210202_100012351131 [0,2,0,0,0,0|1,1,0]=4 4931 B13R1.377 CCSc1cccc(c1F)C(=O)N 62a_100012351131_100000210202 [0,2,0,0,0,0|1,1,0]=4 4932 B13R1.377 CCSc1cccc(c1N)C(=O)N 62a_100010144993_100000210202 [0,2,0,0,0,0|1,1,0]=4 4933 B13R1.377 COCc1cccc(c1Br)[N+](=O)[O-] 34a_100138415774_100012349479 [0,2,0,0,0,0|1,0,1]=4 4934 B13R1.377 COCc1cccc(c1Br)[N+](=O)[O-] 7a_100012349632_200000210301 [0,2,0,0,0,0|1,0,1]=4 4935 B13R1.377 COCc1cccc(c1C)[N+](=O)[O-] 34a_100011215329_200000210301 [0,2,0,0,0,0|1,0,1]=4 4936 B13R1.377 COCc1cccc(c1C)[N+](=O)[O-] 34a_100138415774_100000740638 [0,2,0,0,0,0|1,0,1]=4 4937 B13R1.377 COCc1cccc(c1C)[N+](=O)[O-] 7a_100011215329_200000210301 [0,2,0,0,0,0|1,0,1]=4 4938 B13R1.377 COCc1cccc(c1Cl)[N+](=O)[O-] 7a_100000087621_200000210301 [0,2,0,0,0,0|1,0,1]=4 4939 B13R1.377 COCc1cccc(c1F)[N+](=O)[O-] 34a_100012000434_200000210301 [0,2,0,0,0,0|1,0,1]=4 4940 B13R1.377 COCc1cccc(c1F)[N+](=O)[O-] 34a_100138415774_100012360031 [0,2,0,0,0,0|1,0,1]=4 4941 B13R1.377 COCc1cccc(c1F)[N+](=O)[O-] 7a_100012000434_200000210301 [0,2,0,0,0,0|1,0,1]=4 4942 B13R1.377 COCc1cccc(c1I)[N+](=O)[O-] 34a_100138415774_100010150299 [0,2,0,0,0,0|1,0,1]=4 4943 B13R1.377 Cc1c(cccc1C(=O)N)NCF 34a_100000738810_100015361967 [0,2,0,0,0,0|2,0,0]=4 4944 B13R1.377 Cc1c(cccc1C(=O)N)NCF 7a_100000738810_100015361967 [0,2,0,0,0,0|2,0,0]=4 4945 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_100015361967_200012298201 [0,2,0,0,0,0|1,1,0]=4 4946 B13R1.377 Cc1c(cccc1C(=O)N)SCF 62a_200012298201_100015361967 [0,2,0,0,0,0|1,1,0]=4 4947 B13R1.377 Cc1c(cccc1[N+](=O)[O-])CO[13CH3] 34a_100011215329_200025704644 [0,2,0,0,0,0|1,0,1]=4 4948 B13R1.377 Cc1c(cccc1[N+](=O)[O-])CO[13CH3] 7a_100011215329_200025704644 [0,2,0,0,0,0|1,0,1]=4 4949 B13R1.377 Cc1c(cccc1[N+](=O)[O-])OCF 34a_100000740326_100015361967 [0,2,0,0,0,0|1,0,1]=4 4950 B13R1.377 Cc1c(cccc1[N+](=O)[O-])OCF 7a_100000740326_100015361967 [0,2,0,0,0,0|1,0,1]=4 4951 B13R1.377 NC(=O)c1cccc(c1F)NCF 34a_100014075672_100015361967 [0,2,0,0,0,0|2,0,0]=4 4952 B13R1.377 NC(=O)c1cccc(c1F)OCF 34a_100009841371_100015361967 [0,2,0,0,0,0|1,0,0]=3 4953 B13R1.377 NC(=O)c1cccc(c1F)OCF 7a_100009841371_100015361967 [0,2,0,0,0,0|1,0,0]=3 4954 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100012351131_100015361967 [0,2,0,0,0,0|1,1,0]=4 4955 B13R1.377 NC(=O)c1cccc(c1F)SCF 62a_100015361967_100012351131 [0,2,0,0,0,0|1,1,0]=4 4956 B13R1.377 NC(=O)c1cccc(c1N)SCF 62a_100010144993_100015361967 [0,2,0,0,0,0|1,1,0]=4 4957 B13R1.377 Nc1c(cccc1[N+](=O)[O-])OCF 7a_100000739591_100015361967 [0,2,0,0,0,0|1,0,1]=4 4958 B13R1.377 O=[N+]([O-])c1cccc(c1Br)OCF 34a_100010197803_100015361967 [0,2,0,0,0,0|1,0,1]=4 4959 B13R1.377 O=[N+]([O-])c1cccc(c1Br)OCF 7a_100010197803_100015361967 [0,2,0,0,0,0|1,0,1]=4 4960 B13R1.377 O=[N+]([O-])c1cccc(c1Cl)OCF 34a_100012001863_100015361967 [0,2,0,0,0,0|1,0,1]=4 4961 B13R1.377 O=[N+]([O-])c1cccc(c1Cl)OCF 7a_100012001863_100015361967 [0,2,0,0,0,0|1,0,1]=4 4962 B13R1.377 O=[N+]([O-])c1cccc(c1F)OCF 34a_100000100933_100015361967 [0,2,0,0,0,0|1,0,1]=4 4963 B13R1.377 O=[N+]([O-])c1cccc(c1F)OCF 7a_100000100933_100015361967 [0,2,0,0,0,0|1,0,1]=4 4964 B13R1.377 O=[N+]([O-])c1cccc(c1I)OCF 7a_100010176071_100015361967 [0,2,0,0,0,0|1,0,1]=4 4965 B13R1.377 [13CH3]OCc1cccc(c1Br)[N+](=O)[O-] 7a_100012349632_200025704644 [0,2,0,0,0,0|1,0,1]=4 4966 B13R1.377 [13CH3]OCc1cccc(c1Cl)[N+](=O)[O-] 7a_100000087621_200025704644 [0,2,0,0,0,0|1,0,1]=4 4967 B13R1.377 [13CH3]OCc1cccc(c1F)[N+](=O)[O-] 34a_100012000434_200025704644 [0,2,0,0,0,0|1,0,1]=4 4968 B13R1.377 [13CH3]OCc1cccc(c1F)[N+](=O)[O-] 7a_100012000434_200025704644 [0,2,0,0,0,0|1,0,1]=4 4969 B13R1.387 C=C(C)c1cc(ccc1C)COC 271570a_100000694244_200015395492 [0,2,0,0,0,0|2,0,0]=4 4970 B13R1.387 C=C(C)c1cc(ccc1C)OCC 271570a_100000694244_100011099959 [0,2,0,0,0,0|2,0,0]=4 4971 B13R1.387 C=C(C)c1cc(ccc1F)COC 271570a_100000694244_200011493689 [0,2,0,0,0,0|2,0,0]=4 4972 B13R1.387 CC(=O)c1cc(ccc1C)SCF 62a_100012706819_100015361967 [0,2,0,0,0,0|1,1,0]=4 4973 B13R1.387 CC(=O)c1cc(ccc1Cl)OCF 34a_100009867868_100015361967 [0,2,0,0,0,0|1,0,0]=3 4974 B13R1.387 CC(=O)c1cc(ccc1Cl)OCF 7a_100009867868_100015361967 [0,2,0,0,0,0|1,0,0]=3 4975 B13R1.387 CC(=O)c1cc(ccc1Cl)SCF 62a_100010712560_100015361967 [0,2,0,0,0,0|1,1,0]=4 4976 B13R1.387 CC(=O)c1cc(ccc1F)OCF 34a_100000091700_100015361967 [0,2,0,0,0,0|1,0,0]=3 4977 B13R1.387 CC(=O)c1cc(ccc1F)OCF 7a_100000091700_100015361967 [0,2,0,0,0,0|1,0,0]=3 4978 B13R1.387 CC(=O)c1cc(ccc1F)SCF 62a_100000689017_100015361967 [0,2,0,0,0,0|1,1,0]=4 4979 B13R1.387 CC(=O)c1cc(ccc1F)SCF 62a_100015361967_100010254839 [0,2,0,0,0,0|1,1,0]=4 4980 B13R1.387 CC(=O)c1cc(ccc1N)SCF 62a_100000695420_100015361967 [0,2,0,0,0,0|1,1,0]=4 4981 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)C 271570a_100016259895_100012706819 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)Cl 271570a_100016259895_100010712560 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)F 271570a_100016259895_100000689017 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)N 271570a_100016259895_100000695420 [0,2,0,0,0,0|2,0,0]=4 4985 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,2,0,0,0,0|2,0,0]=4 4986 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)C 271570a_100016259895_100012257281 [0,2,0,0,0,0|2,0,0]=4 4987 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)F 271570a_100016259895_100000162119 [0,2,0,0,0,0|2,0,0]=4 4988 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)N 271570a_100016259895_100000740421 [0,2,0,0,0,0|2,0,0]=4 4989 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,2,0,0,0,0|2,0,0]=4 4990 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_100000210202 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 34a_100000750465_100000210202 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 7a_100000750465_100000210202 [0,2,0,0,0,0|2,0,0]=4 4994 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_100000210202 [0,2,0,0,0,0|2,0,0]=4 4995 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_100000210202 [0,2,0,0,0,0|2,0,0]=4 4996 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 34a_100000738046_100000210202 [0,2,0,0,0,0|2,0,0]=4 4997 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 7a_100000738046_100000210202 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100000210202 [0,2,0,0,0,0|1,0,0]=3 4999 B13R1.387 CCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100000210202 [0,2,0,0,0,0|1,0,0]=3 5000 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100000210202 [0,2,0,0,0,0|1,0,0]=3 5001 B13R1.387 CCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100000210202 [0,2,0,0,0,0|1,0,0]=3 5002 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,2,0,0,0,0|1,0,0]=3 5003 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,2,0,0,0,0|1,0,0]=3 5004 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_100000210202 [0,2,0,0,0,0|1,0,1]=4 5005 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_100000210202 [0,2,0,0,0,0|1,0,1]=4 5006 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_100000210202 [0,2,0,0,0,0|1,0,1]=4 5007 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_100000210202 [0,2,0,0,0,0|1,0,1]=4 5008 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5009 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_100000210202 [0,2,0,0,0,0|1,0,1]=4 5010 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_100000210202 [0,2,0,0,0,0|1,0,1]=4 5011 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_100000210202 [0,2,0,0,0,0|1,0,1]=4 5012 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_100000210202 [0,2,0,0,0,0|1,0,1]=4 5013 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_100000210202 [0,2,0,0,0,0|1,0,1]=4 5014 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_100000210202 [0,2,0,0,0,0|1,0,1]=4 5015 B13R1.387 CCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210202 [0,2,0,0,0,0|1,1,0]=4 5016 B13R1.387 CCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210202 [0,2,0,0,0,0|1,1,0]=4 5017 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000210202_100010254839 [0,2,0,0,0,0|1,1,0]=4 5018 B13R1.387 CCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210202 [0,2,0,0,0,0|1,1,0]=4 5019 B13R1.387 CCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210202 [0,2,0,0,0,0|1,1,0]=4 5020 B13R1.387 CCSc1ccc(c(c1)C(=O)N)C 62a_100000210202_100012257281 [0,2,0,0,0,0|1,1,0]=4 5021 B13R1.387 CCSc1ccc(c(c1)C(=O)N)C 62a_100012257281_100000210202 [0,2,0,0,0,0|1,1,0]=4 5022 B13R1.387 CCSc1ccc(c(c1)C(=O)N)F 62a_100000162119_100000210202 [0,2,0,0,0,0|1,1,0]=4 5023 B13R1.387 CCSc1ccc(c(c1)C(=O)N)N 62a_100000740421_100000210202 [0,2,0,0,0,0|1,1,0]=4 5024 B13R1.387 CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210202 [0,2,0,0,0,0|1,1,0]=4 5025 B13R1.387 CNCc1ccc(c(c1)C(=O)C)Cl 26a_100102657272_100009867868 [0,2,0,0,0,0|2,0,0]=4 5026 B13R1.387 COCc1ccc(c(c1)B(O)O)F 34a_100138415774_200011092054 [0,2,0,0,0,0|1,0,1]=4 5027 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Br 34a_100138415774_100000693152 [0,2,0,0,0,0|1,0,1]=4 5028 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 34a_100138415774_100000042939 [0,2,0,0,0,0|1,0,1]=4 5029 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 7a_100011216690_200000210301 [0,2,0,0,0,0|1,0,1]=4 5030 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5031 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200000210301 [0,2,0,0,0,0|1,0,1]=4 5032 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100138415774_100009816672 [0,2,0,0,0,0|1,0,1]=4 5033 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200000210301 [0,2,0,0,0,0|1,0,1]=4 5034 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 34a_100000750465_100015361967 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.387 Cc1ccc(cc1C(=O)N)NCF 7a_100000750465_100015361967 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.387 Cc1ccc(cc1C(=O)N)SCF 62a_100012257281_100015361967 [0,2,0,0,0,0|1,1,0]=4 5037 B13R1.387 Cc1ccc(cc1C(=O)N)SCF 62a_100015361967_100012257281 [0,2,0,0,0,0|1,1,0]=4 5038 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])CO[13CH3] 7a_100011216690_200025704644 [0,2,0,0,0,0|1,0,1]=4 5039 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])OCF 34a_100000742313_100015361967 [0,2,0,0,0,0|1,0,1]=4 5040 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])OCF 7a_100000742313_100015361967 [0,2,0,0,0,0|1,0,1]=4 5041 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 34a_100015186447_100015361967 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.387 NC(=O)c1cc(ccc1Br)NCF 7a_100015186447_100015361967 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 34a_100000736848_100015361967 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.387 NC(=O)c1cc(ccc1Cl)NCF 7a_100000736848_100015361967 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.387 NC(=O)c1cc(ccc1F)NCF 34a_100000738046_100015361967 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.387 NC(=O)c1cc(ccc1F)NCF 7a_100000738046_100015361967 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.387 NC(=O)c1cc(ccc1F)SCF 62a_100000162119_100015361967 [0,2,0,0,0,0|1,1,0]=4 5048 B13R1.387 NC(=O)c1cc(ccc1N)SCF 62a_100000740421_100015361967 [0,2,0,0,0,0|1,1,0]=4 5049 B13R1.387 NC(=O)c1cc(ccc1O)SCF 62a_100000192807_100015361967 [0,2,0,0,0,0|1,1,0]=4 5050 B13R1.387 Nc1ccc(cc1[N+](=O)[O-])OCF 34a_100000740891_100015361967 [0,2,0,0,0,0|1,0,1]=4 5051 B13R1.387 Nc1ccc(cc1[N+](=O)[O-])OCF 7a_100000740891_100015361967 [0,2,0,0,0,0|1,0,1]=4 5052 B13R1.387 O=[N+]([O-])c1cc(ccc1Br)OCF 34a_100012232398_100015361967 [0,2,0,0,0,0|1,0,1]=4 5053 B13R1.387 O=[N+]([O-])c1cc(ccc1Br)OCF 7a_100012232398_100015361967 [0,2,0,0,0,0|1,0,1]=4 5054 B13R1.387 O=[N+]([O-])c1cc(ccc1Cl)OCF 34a_100000718020_100015361967 [0,2,0,0,0,0|1,0,1]=4 5055 B13R1.387 O=[N+]([O-])c1cc(ccc1Cl)OCF 7a_100000718020_100015361967 [0,2,0,0,0,0|1,0,1]=4 5056 B13R1.387 O=[N+]([O-])c1cc(ccc1F)OCF 34a_100011294462_100015361967 [0,2,0,0,0,0|1,0,1]=4 5057 B13R1.387 O=[N+]([O-])c1cc(ccc1F)OCF 7a_100011294462_100015361967 [0,2,0,0,0,0|1,0,1]=4 5058 B13R1.387 O=[N+]([O-])c1cc(ccc1I)OCF 7a_100000031453_100015361967 [0,2,0,0,0,0|1,0,1]=4 5059 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5060 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200025704644 [0,2,0,0,0,0|1,0,1]=4 5061 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200025704644 [0,2,0,0,0,0|1,0,1]=4 5062 B13R1.568 C#CCNc1cccc(c1)C(=O)N 34a_100000217337_100000184674 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.568 C#CCOc1cccc(c1)C(=O)C 34a_100000211620_100000184674 [0,2,0,0,0,0|1,0,0]=3 5064 B13R1.568 C#CCOc1cccc(c1)C(=O)C 7a_100000211620_100000038162 [0,2,0,0,0,0|1,0,0]=3 5065 B13R1.568 C#CCOc1cccc(c1)C(=O)N 34a_100000162170_100000184674 [0,2,0,0,0,0|1,0,0]=3 5066 B13R1.568 C#CCOc1cccc(c1)C(=O)N 7a_100000162170_100000038162 [0,2,0,0,0,0|1,0,0]=3 5067 B13R1.568 C#CCOc1cccc(c1)C(=S)N 7a_100000738086_100000038162 [0,2,0,0,0,0|1,1,0]=4 5068 B13R1.568 C#CCOc1cccc(c1)C(C)O 34a_100000748013_100000184674 [0,2,0,0,0,0|1,0,1]=4 5069 B13R1.568 C#CCOc1cccc(c1)C(C)O 7a_100000748013_100000038162 [0,2,0,0,0,0|1,0,1]=4 5070 B13R1.568 C#CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000184674 [0,2,0,0,0,0|1,0,1]=4 5071 B13R1.568 C#CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000038162 [0,2,0,0,0,0|1,0,1]=4 5072 B13R1.568 C#CCOc1cncc(c1)C(=O)N 7a_100000698036_100000038162 [0,2,0,0,0,0|2,0,0]=4 5073 B13R1.568 C#CCSc1cccc(c1)C(=O)C 62a_100000038162_100000210093 [0,2,0,0,0,0|1,1,0]=4 5074 B13R1.568 C#CCSc1cccc(c1)C(=O)N 62a_100000038162_100000162208 [0,2,0,0,0,0|1,1,0]=4 5075 B13R1.568 C=C(C)c1cccc(c1)COCC 271570a_100000694244_100011493694 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.568 C=C(C)c1cccc(c1)OCC#N 271570a_100000694244_200000169433 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.568 C=C(C)c1cccc(c1)OCCC 271570a_100000694244_100000170004 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.568 C=C(C)c1cccc(c1)OCCN 271570a_100000694244_100000743521 [0,2,0,0,0,0|2,0,0]=4 5079 B13R1.568 C=C(C)c1cccc(c1)OCCO 271570a_100000694244_100000757546 [0,2,0,0,0,0|2,0,0]=4 5080 B13R1.568 C=C(C)c1cccc(c1)OCOC 271570a_100000694244_100012265688 [0,2,0,0,0,0|2,0,0]=4 5081 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100000766300_100012123953 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.568 C=C(C)c1cccc(c1)SCOC 62a_100012123953_100000766300 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.568 C=CCNc1cccc(c1)C(=O)N 34a_100000217337_100015514636 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.568 C=CCOc1cccc(c1)C(=O)C 1458a_200000217307_200000210301 [0,2,0,0,0,0|1,0,0]=3 5085 B13R1.568 C=CCOc1cccc(c1)C(=O)C 34a_100000211620_100015514636 [0,2,0,0,0,0|1,0,0]=3 5086 B13R1.568 C=CCOc1cccc(c1)C(=O)C 7a_100000211620_100015514636 [0,2,0,0,0,0|1,0,0]=3 5087 B13R1.568 C=CCOc1cccc(c1)C(=O)N 34a_100000162170_100015514636 [0,2,0,0,0,0|1,0,0]=3 5088 B13R1.568 C=CCOc1cccc(c1)C(=O)N 7a_100000162170_100015514636 [0,2,0,0,0,0|1,0,0]=3 5089 B13R1.568 C=CCOc1cccc(c1)C(=O)[13CH3] 1458a_200000217307_200025704644 [0,2,0,0,0,0|1,0,0]=3 5090 B13R1.568 C=CCOc1cccc(c1)C(=S)N 7a_100000738086_100015514636 [0,2,0,0,0,0|1,1,0]=4 5091 B13R1.568 C=CCOc1cccc(c1)C(C)O 34a_100000748013_100015514636 [0,2,0,0,0,0|1,0,1]=4 5092 B13R1.568 C=CCOc1cccc(c1)C(C)O 7a_100000748013_100015514636 [0,2,0,0,0,0|1,0,1]=4 5093 B13R1.568 C=CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100015514636 [0,2,0,0,0,0|1,0,1]=4 5094 B13R1.568 C=CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100015514636 [0,2,0,0,0,0|1,0,1]=4 5095 B13R1.568 C=CCOc1cncc(c1)C(=O)N 7a_100000698036_100015514636 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210623 [0,2,0,0,0,0|1,1,0]=4 5097 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210623_100000210093 [0,2,0,0,0,0|1,1,0]=4 5098 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210623 [0,2,0,0,0,0|1,1,0]=4 5099 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000210623_100000162208 [0,2,0,0,0,0|1,1,0]=4 5100 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100000084091_100015361967 [0,2,0,0,0,0|1,1,0]=4 5101 B13R1.568 CC(=O)c1cccc(c1)CSCF 62a_100015361967_100000084091 [0,2,0,0,0,0|1,1,0]=4 5102 B13R1.568 CC(=O)c1cccc(c1)OCC#N 7a_100000211620_100011215382 [0,2,0,0,0,0|1,0,0]=3 5103 B13R1.568 CC(=O)c1cccc(c1)OCC=O 34a_100000211620_200009817547 [0,2,0,0,0,0|1,0,0]=3 5104 B13R1.568 CC(=O)c1cccc(c1)OCC=O 7a_100000211620_200015260668 [0,2,0,0,0,0|1,0,0]=3 5105 B13R1.568 CC(=O)c1cccc(c1)OCCF 34a_100000211620_100011217306 [0,2,0,0,0,0|1,0,0]=3 5106 B13R1.568 CC(=O)c1cccc(c1)OCCF 7a_100000211620_100011217306 [0,2,0,0,0,0|1,0,0]=3 5107 B13R1.568 CC(=O)c1cccc(c1)OCCO 1458a_100000217287_200000210301 [0,2,0,0,0,0|1,0,0]=3 5108 B13R1.568 CC(=O)c1cccc(c1)OCCO 34a_100000211620_100000211926 [0,2,0,0,0,0|1,0,0]=3 5109 B13R1.568 CC(=O)c1cccc(c1)OCCO 7a_100000211620_100000211926 [0,2,0,0,0,0|1,0,0]=3 5110 B13R1.568 CC(=O)c1cccc(c1)SCC#N 62a_100000210093_100011215382 [0,2,0,0,0,0|1,1,0]=4 5111 B13R1.568 CC(=O)c1cccc(c1)SCC#N 62a_100011215382_100000210093 [0,2,0,0,0,0|1,1,0]=4 5112 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_100000210093_200015260668 [0,2,0,0,0,0|1,1,0]=4 5113 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_200015260668_100000210093 [0,2,0,0,0,0|1,1,0]=4 5114 B13R1.568 CC(=O)c1cccc(c1)SCCF 62a_100000210093_100011217306 [0,2,0,0,0,0|1,1,0]=4 5115 B13R1.568 CC(=O)c1cccc(c1)SCCF 62a_100011217306_100000210093 [0,2,0,0,0,0|1,1,0]=4 5116 B13R1.568 CC(=O)c1cccc(c1)SCCO 62a_100000210093_100000211926 [0,2,0,0,0,0|1,1,0]=4 5117 B13R1.568 CC(=O)c1cccc(c1)SCCO 62a_100000211926_100000210093 [0,2,0,0,0,0|1,1,0]=4 5118 B13R1.568 CC(O)c1cccc(c1)OCC#N 7a_100000748013_100011215382 [0,2,0,0,0,0|1,0,1]=4 5119 B13R1.568 CC(O)c1cccc(c1)OCC=O 34a_100000748013_200009817547 [0,2,0,0,0,0|1,0,1]=4 5120 B13R1.568 CC(O)c1cccc(c1)OCC=O 7a_100000748013_200015260668 [0,2,0,0,0,0|1,0,1]=4 5121 B13R1.568 CC(O)c1cccc(c1)OCCF 34a_100000748013_100011217306 [0,2,0,0,0,0|1,0,1]=4 5122 B13R1.568 CC(O)c1cccc(c1)OCCF 7a_100000748013_100011217306 [0,2,0,0,0,0|1,0,1]=4 5123 B13R1.568 CC(O)c1cccc(c1)OCCO 34a_100000748013_100000211926 [0,2,0,0,0,0|1,0,1]=4 5124 B13R1.568 CC(O)c1cccc(c1)OCCO 7a_100000748013_100000211926 [0,2,0,0,0,0|1,0,1]=4 5125 B13R1.568 CCCCc1cccc(c1)C(=O)C 1458a_100012178757_200000210301 [0,2,0,0,0,0|2,0,0]=4 5126 B13R1.568 CCCCc1cccc(c1)C(=O)C 271570a_100020621405_100000210093 [0,2,0,0,0,0|2,0,0]=4 5127 B13R1.568 CCCCc1cccc(c1)C(=O)N 271570a_100020621405_100000162208 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.568 CCCCc1cccc(c1)C(=O)[13CH3] 1458a_100012178757_200025704644 [0,2,0,0,0,0|2,0,0]=4 5129 B13R1.568 CCCNc1cccc(c1)C(=O)N 34a_100000217337_100000210303 [0,2,0,0,0,0|2,0,0]=4 5130 B13R1.568 CCCOc1cccc(c1)C(=O)C 1458a_100000216339_200000210301 [0,2,0,0,0,0|1,0,0]=3 5131 B13R1.568 CCCOc1cccc(c1)C(=O)C 34a_100000211620_100000210303 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.568 CCCOc1cccc(c1)C(=O)C 7a_100000211620_100000210303 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.568 CCCOc1cccc(c1)C(=O)N 34a_100000162170_100000210303 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.568 CCCOc1cccc(c1)C(=O)N 7a_100000162170_100000210303 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.568 CCCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216339_200025704644 [0,2,0,0,0,0|1,0,0]=3 5136 B13R1.568 CCCOc1cccc(c1)C(=S)N 7a_100000738086_100000210303 [0,2,0,0,0,0|1,1,0]=4 5137 B13R1.568 CCCOc1cccc(c1)C(C)O 34a_100000748013_100000210303 [0,2,0,0,0,0|1,0,1]=4 5138 B13R1.568 CCCOc1cccc(c1)C(C)O 7a_100000748013_100000210303 [0,2,0,0,0,0|1,0,1]=4 5139 B13R1.568 CCCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210303 [0,2,0,0,0,0|1,0,1]=4 5140 B13R1.568 CCCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210303 [0,2,0,0,0,0|1,0,1]=4 5141 B13R1.568 CCCOc1cncc(c1)C(=O)N 7a_100000698036_100000210303 [0,2,0,0,0,0|2,0,0]=4 5142 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210093_100000210303 [0,2,0,0,0,0|1,1,0]=4 5143 B13R1.568 CCCSc1cccc(c1)C(=O)C 62a_100000210303_100000210093 [0,2,0,0,0,0|1,1,0]=4 5144 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000162208_100000210303 [0,2,0,0,0,0|1,1,0]=4 5145 B13R1.568 CCCSc1cccc(c1)C(=O)N 62a_100000210303_100000162208 [0,2,0,0,0,0|1,1,0]=4 5146 B13R1.568 CCNCc1cccc(c1)C(=O)C 2230a_100015525214_100000084091 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.568 CCNCc1cccc(c1)C(=O)N 207a_100015525214_100000059704 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.568 CCNCc1cccc(c1)C(=O)N 2230a_100000746036_100000210202 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.568 CCNCc1cccc(c1)C(=O)N 2230a_100015525214_100000738444 [0,2,0,0,0,0|2,0,0]=4 5150 B13R1.568 CCNCc1cccc(c1)C(=O)N 270004a_100015525214_100000059704 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.568 CCNCc1cccc(c1)C(=O)O 269956a_100000752609_100000210202 [0,2,0,0,0,0|1,0,0]=3 5152 B13R1.568 CCOCc1cccc(c1)B(O)O 34a_100121572206_100009814088 [0,2,0,0,0,0|1,0,1]=4 5153 B13R1.568 CCOCc1cccc(c1)C(=O)C 34a_100121572206_100000084091 [0,2,0,0,0,0|1,0,0]=3 5154 B13R1.568 CCOCc1cccc(c1)C(=O)N 34a_100121572206_100000738444 [0,2,0,0,0,0|1,0,0]=3 5155 B13R1.568 CCOCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_100000210202 [0,2,0,0,0,0|1,0,1]=4 5156 B13R1.568 CCOCc1cccc(c1)[N+](=O)[O-] 34a_100121572206_100000737091 [0,2,0,0,0,0|1,0,1]=4 5157 B13R1.568 CCOCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_100000210202 [0,2,0,0,0,0|1,0,1]=4 5158 B13R1.568 CCOCc1cncc(c1)C(=O)N 34a_100121572206_200010162415 [0,2,0,0,0,0|2,0,0]=4 5159 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000084091_100000210202 [0,2,0,0,0,0|1,1,0]=4 5160 B13R1.568 CCSCc1cccc(c1)C(=O)C 62a_100000210202_100000084091 [0,2,0,0,0,0|1,1,0]=4 5161 B13R1.568 CCSCc1cccc(c1)C(=O)N 62a_100000210202_100000738444 [0,2,0,0,0,0|1,1,0]=4 5162 B13R1.568 CCSCc1cccc(c1)C(=O)N 62a_100000738444_100000210202 [0,2,0,0,0,0|1,1,0]=4 5163 B13R1.568 COCCc1cccc(c1)[N+](=O)[O-] 34a_100011219613_200000210301 [0,2,0,0,0,0|1,0,1]=4 5164 B13R1.568 COCCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100011935270 [0,2,0,0,0,0|1,0,1]=4 5165 B13R1.568 COCCc1cccc(c1)[N+](=O)[O-] 7a_100011219613_200000210301 [0,2,0,0,0,0|1,0,1]=4 5166 B13R1.568 COCNc1cccc(c1)C(C)O 2230a_100011217120_100000766300 [0,2,0,0,0,0|1,0,1]=4 5167 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000685609_100000766300 [0,2,0,0,0,0|2,0,0]=4 5168 B13R1.568 COCSc1cc(ccn1)C(=O)C 62a_100000766300_100000685609 [0,2,0,0,0,0|2,0,0]=4 5169 B13R1.568 COCSc1cc(ccn1)C(=O)N 62a_100000229836_100000766300 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.568 COCSc1cc(ccn1)C(=O)N 62a_100000766300_100000229836 [0,2,0,0,0,0|2,0,0]=4 5171 B13R1.568 COCSc1cccc(c1)B(O)O 62a_100000687717_100000766300 [0,2,0,0,0,0|1,0,1]=4 5172 B13R1.568 COCSc1cccc(c1)B(O)O 62a_100000766300_100000687717 [0,2,0,0,0,0|1,0,1]=4 5173 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000210093_100000766300 [0,2,0,0,0,0|1,0,0]=3 5174 B13R1.568 COCSc1cccc(c1)C(=O)C 62a_100000766300_100000210093 [0,2,0,0,0,0|1,0,0]=3 5175 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000162208_100000766300 [0,2,0,0,0,0|1,0,0]=3 5176 B13R1.568 COCSc1cccc(c1)C(=O)N 62a_100000766300_100000162208 [0,2,0,0,0,0|1,0,0]=3 5177 B13R1.568 COCSc1cccc(c1)C(C)O 62a_100000246457_100000766300 [0,2,0,0,0,0|1,0,1]=4 5178 B13R1.568 COCSc1cccc(c1)C(C)O 62a_100000766300_100000246457 [0,2,0,0,0,0|1,0,1]=4 5179 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100000766300_100009816267 [0,2,0,0,0,0|2,0,0]=4 5180 B13R1.568 COCSc1cccc(c1)S(=O)C 62a_100009816267_100000766300 [0,2,0,0,0,0|2,0,0]=4 5181 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100000766300_100009816502 [0,2,0,0,0,0|2,0,0]=4 5182 B13R1.568 COCSc1cccc(n1)C(=O)C 62a_100009816502_100000766300 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.568 COCSc1cccc(n1)C(=O)N 62a_100000766300_100011834053 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.568 COCSc1cccc(n1)C(=O)N 62a_100011834053_100000766300 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000709912_100000766300 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.568 COCSc1ccnc(c1)C(=O)C 62a_100000766300_100000709912 [0,2,0,0,0,0|2,0,0]=4 5187 B13R1.568 COCSc1ccnc(c1)C(=O)N 62a_100000229564_100000766300 [0,2,0,0,0,0|2,0,0]=4 5188 B13R1.568 COCSc1ccnc(c1)C(=O)N 62a_100000766300_100000229564 [0,2,0,0,0,0|2,0,0]=4 5189 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100000766300_100011216243 [0,2,0,0,0,0|2,0,0]=4 5190 B13R1.568 COCSc1cncc(c1)C(=O)C 62a_100011216243_100000766300 [0,2,0,0,0,0|2,0,0]=4 5191 B13R1.568 COCSc1cncc(c1)C(=O)N 62a_100000162242_100000766300 [0,2,0,0,0,0|2,0,0]=4 5192 B13R1.568 COCSc1cncc(c1)C(=O)N 62a_100000766300_100000162242 [0,2,0,0,0,0|2,0,0]=4 5193 B13R1.568 CSCNc1cccc(c1)C(=O)N 34a_100000217337_100011218213 [0,2,0,0,0,0|1,1,0]=4 5194 B13R1.568 CSCOc1cccc(c1)C(=O)C 34a_100000211620_100011218213 [0,2,0,0,0,0|1,0,0]=3 5195 B13R1.568 CSCOc1cccc(c1)C(=O)N 34a_100000162170_100011218213 [0,2,0,0,0,0|1,0,0]=3 5196 B13R1.568 CSCOc1cccc(c1)C(C)O 34a_100000748013_100011218213 [0,2,0,0,0,0|1,0,1]=4 5197 B13R1.568 CSCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100011218213 [0,2,0,0,0,0|1,0,1]=4 5198 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100000210093_100011218213 [0,2,0,0,0,0|1,1,0]=4 5199 B13R1.568 CSCSc1cccc(c1)C(=O)C 62a_100011218213_100000210093 [0,2,0,0,0,0|1,1,0]=4 5200 B13R1.568 CSCSc1cccc(c1)C(=O)N 62a_100000162208_100011218213 [0,2,0,0,0,0|1,1,0]=4 5201 B13R1.568 CSCSc1cccc(c1)C(=O)N 62a_100011218213_100000162208 [0,2,0,0,0,0|1,1,0]=4 5202 B13R1.568 N#CCOc1cccc(c1)C(=O)N 7a_100000162170_100011215382 [0,2,0,0,0,0|1,0,0]=3 5203 B13R1.568 N#CCOc1cccc(c1)C(=S)N 7a_100000738086_100011215382 [0,2,0,0,0,0|1,1,0]=4 5204 B13R1.568 N#CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100011215382 [0,2,0,0,0,0|1,0,1]=4 5205 B13R1.568 N#CCOc1cncc(c1)C(=O)N 7a_100000698036_100011215382 [0,2,0,0,0,0|2,0,0]=4 5206 B13R1.568 N#CCSc1cccc(c1)C(=O)N 62a_100000162208_100011215382 [0,2,0,0,0,0|1,1,0]=4 5207 B13R1.568 N#CCSc1cccc(c1)C(=O)N 62a_100011215382_100000162208 [0,2,0,0,0,0|1,1,0]=4 5208 B13R1.568 NC(=O)c1cccc(c1)CSCF 62a_100000738444_100015361967 [0,2,0,0,0,0|1,1,0]=4 5209 B13R1.568 NC(=O)c1cccc(c1)CSCF 62a_100015361967_100000738444 [0,2,0,0,0,0|1,1,0]=4 5210 B13R1.568 NC(=O)c1cccc(c1)NCC=O 34a_100000217337_200009817547 [0,2,0,0,0,0|2,0,0]=4 5211 B13R1.568 NC(=O)c1cccc(c1)NCCF 34a_100000217337_100011217306 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.568 NC(=O)c1cccc(c1)NCCO 34a_100000217337_100000211926 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.568 NC(=O)c1cccc(c1)OCC=O 34a_100000162170_200009817547 [0,2,0,0,0,0|1,0,0]=3 5214 B13R1.568 NC(=O)c1cccc(c1)OCC=O 7a_100000162170_200015260668 [0,2,0,0,0,0|1,0,0]=3 5215 B13R1.568 NC(=O)c1cccc(c1)OCCF 34a_100000162170_100011217306 [0,2,0,0,0,0|1,0,0]=3 5216 B13R1.568 NC(=O)c1cccc(c1)OCCF 7a_100000162170_100011217306 [0,2,0,0,0,0|1,0,0]=3 5217 B13R1.568 NC(=O)c1cccc(c1)OCCO 34a_100000162170_100000211926 [0,2,0,0,0,0|1,0,0]=3 5218 B13R1.568 NC(=O)c1cccc(c1)OCCO 7a_100000162170_100000211926 [0,2,0,0,0,0|1,0,0]=3 5219 B13R1.568 NC(=O)c1cccc(c1)SCC=O 62a_100000162208_200015260668 [0,2,0,0,0,0|1,1,0]=4 5220 B13R1.568 NC(=O)c1cccc(c1)SCC=O 62a_200015260668_100000162208 [0,2,0,0,0,0|1,1,0]=4 5221 B13R1.568 NC(=O)c1cccc(c1)SCCF 62a_100000162208_100011217306 [0,2,0,0,0,0|1,1,0]=4 5222 B13R1.568 NC(=O)c1cccc(c1)SCCF 62a_100011217306_100000162208 [0,2,0,0,0,0|1,1,0]=4 5223 B13R1.568 NC(=O)c1cccc(c1)SCCO 62a_100000162208_100000211926 [0,2,0,0,0,0|1,1,0]=4 5224 B13R1.568 NC(=O)c1cccc(c1)SCCO 62a_100000211926_100000162208 [0,2,0,0,0,0|1,1,0]=4 5225 B13R1.568 NC(=O)c1cncc(c1)OCC=O 7a_100000698036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5226 B13R1.568 NC(=O)c1cncc(c1)OCCF 7a_100000698036_100011217306 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.568 NC(=O)c1cncc(c1)OCCO 7a_100000698036_100000211926 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.568 NC(=S)c1cccc(c1)OCC=O 7a_100000738086_200015260668 [0,2,0,0,0,0|1,1,0]=4 5229 B13R1.568 NC(=S)c1cccc(c1)OCCF 7a_100000738086_100011217306 [0,2,0,0,0,0|1,1,0]=4 5230 B13R1.568 NC(=S)c1cccc(c1)OCCO 7a_100000738086_100000211926 [0,2,0,0,0,0|1,1,0]=4 5231 B13R1.568 O=C(O)c1cccc(c1)CNCF 269956a_100000752609_100015361967 [0,2,0,0,0,0|1,0,0]=3 5232 B13R1.568 O=CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200009817547 [0,2,0,0,0,0|1,0,1]=4 5233 B13R1.568 O=CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200015260668 [0,2,0,0,0,0|1,0,1]=4 5234 B13R1.568 O=[N+]([O-])c1cccc(c1)COCF 34a_100000238370_100015361967 [0,2,0,0,0,0|1,0,1]=4 5235 B13R1.568 O=[N+]([O-])c1cccc(c1)COCF 7a_100000238370_100015361967 [0,2,0,0,0,0|1,0,1]=4 5236 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCF 34a_100000185994_100011217306 [0,2,0,0,0,0|1,0,1]=4 5237 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCF 7a_100000185994_100011217306 [0,2,0,0,0,0|1,0,1]=4 5238 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCO 34a_100000185994_100000211926 [0,2,0,0,0,0|1,0,1]=4 5239 B13R1.568 O=[N+]([O-])c1cccc(c1)OCCO 7a_100000185994_100000211926 [0,2,0,0,0,0|1,0,1]=4 5240 B13R1.568 [13CH3]C(=O)c1cccc(c1)OCCO 1458a_100000217287_200025704644 [0,2,0,0,0,0|1,0,0]=3 5241 B13R1.568 [13CH3]OCCc1cccc(c1)[N+](=O)[O-] 34a_100011219613_200025704644 [0,2,0,0,0,0|1,0,1]=4 5242 B13R1.568 [13CH3]OCCc1cccc(c1)[N+](=O)[O-] 7a_100011219613_200025704644 [0,2,0,0,0,0|1,0,1]=4 5243 B13R1.82 C=Cc1cccc(c1Br)C(=O)OC 271570a_100011290941_100010240208 [0,2,0,0,0,0|1,0,1]=4 5244 B13R1.82 C=Cc1cccc(c1C)C(=O)OC 271570a_100011290941_100012298220 [0,2,0,0,0,0|1,0,1]=4 5245 B13R1.82 C=Cc1cccc(c1F)C(=O)OC 271570a_100011290941_100012355674 [0,2,0,0,0,0|1,0,1]=4 5246 B13R1.82 C=Cc1cccc(c1N)C(=O)OC 271570a_100011290941_100011356556 [0,2,0,0,0,0|1,0,1]=4 5247 B13R1.82 C=Cc1cccc(c1O)C(=O)OC 271570a_100011290941_100009816214 [0,2,0,0,0,0|1,0,1]=4 5248 B13R1.82 CCC(=O)c1cccc(c1Br)OC 1458a_100010245468_100000210202 [0,2,0,0,0,0|1,0,0]=3 5249 B13R1.82 CCC(=O)c1cccc(c1C)OC 1458a_100011217801_100000210202 [0,2,0,0,0,0|1,0,0]=3 5250 B13R1.82 CCC(=O)c1cccc(c1Cl)OC 1458a_100000068443_100000210202 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.82 CCC(=O)c1cccc(c1F)OC 1458a_100000766180_100000210202 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.82 CCC(=O)c1cccc(c1I)OC 1458a_100010075502_100000210202 [0,2,0,0,0,0|1,0,0]=3 5253 B13R1.82 CCC(=O)c1cccc(c1O)OC 1458a_100000212136_100000210202 [0,2,0,0,0,0|1,0,0]=3 5254 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [0,2,0,0,0,0|1,0,0]=3 5255 B13R1.82 CNC(=O)c1cccc(c1Br)OC 11a_106832991635_100010245468 [0,2,0,0,0,0|1,0,0]=3 5256 B13R1.82 CNC(=O)c1cccc(c1Br)OC 1626a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 5257 B13R1.82 CNC(=O)c1cccc(c1Br)OC 240690a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 5258 B13R1.82 CNC(=O)c1cccc(c1Br)OC 527a_100102657272_100010245468 [0,2,0,0,0,0|1,0,0]=3 5259 B13R1.82 CNC(=O)c1cccc(c1C)NC 34a_100000739055_200000210301 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.82 CNC(=O)c1cccc(c1C)N[13CH3] 34a_100000739055_200025704644 [0,2,0,0,0,0|2,0,0]=4 5261 B13R1.82 CNC(=O)c1cccc(c1C)OC 11a_106832991635_100011217801 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.82 CNC(=O)c1cccc(c1C)OC 1626a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.82 CNC(=O)c1cccc(c1C)OC 240690a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 5264 B13R1.82 CNC(=O)c1cccc(c1C)OC 527a_100102657272_100011217801 [0,2,0,0,0,0|1,0,0]=3 5265 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 11a_106832991635_100000068443 [0,2,0,0,0,0|1,0,0]=3 5266 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 1626a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 5267 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 240690a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 5268 B13R1.82 CNC(=O)c1cccc(c1Cl)OC 527a_100102657272_100000068443 [0,2,0,0,0,0|1,0,0]=3 5269 B13R1.82 CNC(=O)c1cccc(c1F)OC 11a_106832991635_100000766180 [0,2,0,0,0,0|1,0,0]=3 5270 B13R1.82 CNC(=O)c1cccc(c1F)OC 1626a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 5271 B13R1.82 CNC(=O)c1cccc(c1F)OC 240690a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 5272 B13R1.82 CNC(=O)c1cccc(c1F)OC 527a_100102657272_100000766180 [0,2,0,0,0,0|1,0,0]=3 5273 B13R1.82 CNC(=O)c1cccc(c1I)OC 11a_106832991635_100010075502 [0,2,0,0,0,0|1,0,0]=3 5274 B13R1.82 CNC(=O)c1cccc(c1I)OC 1626a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 5275 B13R1.82 CNC(=O)c1cccc(c1I)OC 240690a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 5276 B13R1.82 CNC(=O)c1cccc(c1I)OC 527a_100102657272_100010075502 [0,2,0,0,0,0|1,0,0]=3 5277 B13R1.82 CNC(=O)c1cccc(c1O)OC 240690a_100102657272_100000212136 [0,2,0,0,0,0|1,0,0]=3 5278 B13R1.82 CNC(=O)c1cccc(c1O)OC 527a_100102657272_100000212136 [0,2,0,0,0,0|1,0,0]=3 5279 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_100010873956_200000210301 [0,2,0,0,0,0|1,1,0]=4 5280 B13R1.82 COC(=O)c1c[nH]cc(c1=O)SC 62a_200000210301_100010873956 [0,2,0,0,0,0|1,1,0]=4 5281 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_100010873956_200025704644 [0,2,0,0,0,0|1,1,0]=4 5282 B13R1.82 COC(=O)c1c[nH]cc(c1=O)S[13CH3] 62a_200025704644_100010873956 [0,2,0,0,0,0|1,1,0]=4 5283 B13R1.82 COC(=O)c1cccc(c1Br)OC 34a_200010230364_200000210301 [0,2,0,0,0,0|0,0,0]=2 5284 B13R1.82 COC(=O)c1cccc(c1Br)OC 7a_200010230364_200000210301 [0,2,0,0,0,0|0,0,0]=2 5285 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 34a_200010230364_200025704644 [0,2,0,0,0,0|0,0,0]=2 5286 B13R1.82 COC(=O)c1cccc(c1Br)O[13CH3] 7a_200010230364_200025704644 [0,2,0,0,0,0|0,0,0]=2 5287 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_100010240208_200000210301 [0,2,0,0,0,0|0,1,0]=3 5288 B13R1.82 COC(=O)c1cccc(c1Br)SC 62a_200000210301_100010240208 [0,2,0,0,0,0|0,1,0]=3 5289 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_100010240208_200025704644 [0,2,0,0,0,0|0,1,0]=3 5290 B13R1.82 COC(=O)c1cccc(c1Br)S[13CH3] 62a_200025704644_100010240208 [0,2,0,0,0,0|0,1,0]=3 5291 B13R1.82 COC(=O)c1cccc(c1C)OC 34a_100011999632_200000210301 [0,2,0,0,0,0|0,0,0]=2 5292 B13R1.82 COC(=O)c1cccc(c1C)OC 7a_100011999632_200000210301 [0,2,0,0,0,0|0,0,0]=2 5293 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 34a_100011999632_200025704644 [0,2,0,0,0,0|0,0,0]=2 5294 B13R1.82 COC(=O)c1cccc(c1C)O[13CH3] 7a_100011999632_200025704644 [0,2,0,0,0,0|0,0,0]=2 5295 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_100012298220_200000210301 [0,2,0,0,0,0|0,1,0]=3 5296 B13R1.82 COC(=O)c1cccc(c1C)SC 62a_200000210301_100012298220 [0,2,0,0,0,0|0,1,0]=3 5297 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_100012298220_200025704644 [0,2,0,0,0,0|0,1,0]=3 5298 B13R1.82 COC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012298220 [0,2,0,0,0,0|0,1,0]=3 5299 B13R1.82 COC(=O)c1cccc(c1Cl)OC 34a_100009866855_200000210301 [0,2,0,0,0,0|0,0,0]=2 5300 B13R1.82 COC(=O)c1cccc(c1Cl)OC 7a_100009866855_200000210301 [0,2,0,0,0,0|0,0,0]=2 5301 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 34a_100009866855_200025704644 [0,2,0,0,0,0|0,0,0]=2 5302 B13R1.82 COC(=O)c1cccc(c1Cl)O[13CH3] 7a_100009866855_200025704644 [0,2,0,0,0,0|0,0,0]=2 5303 B13R1.82 COC(=O)c1cccc(c1F)OC 34a_100009854753_200000210301 [0,2,0,0,0,0|0,0,0]=2 5304 B13R1.82 COC(=O)c1cccc(c1F)OC 7a_100009854753_200000210301 [0,2,0,0,0,0|0,0,0]=2 5305 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 34a_100009854753_200025704644 [0,2,0,0,0,0|0,0,0]=2 5306 B13R1.82 COC(=O)c1cccc(c1F)O[13CH3] 7a_100009854753_200025704644 [0,2,0,0,0,0|0,0,0]=2 5307 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_100012355674_200000210301 [0,2,0,0,0,0|0,1,0]=3 5308 B13R1.82 COC(=O)c1cccc(c1F)SC 62a_200000210301_100012355674 [0,2,0,0,0,0|0,1,0]=3 5309 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_100012355674_200025704644 [0,2,0,0,0,0|0,1,0]=3 5310 B13R1.82 COC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355674 [0,2,0,0,0,0|0,1,0]=3 5311 B13R1.82 COC(=O)c1cccc(c1N)OC 34a_100015205654_200000210301 [0,2,0,0,0,0|0,0,0]=2 5312 B13R1.82 COC(=O)c1cccc(c1N)OC 7a_100015205654_200000210301 [0,2,0,0,0,0|0,0,0]=2 5313 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 34a_100015205654_200025704644 [0,2,0,0,0,0|0,0,0]=2 5314 B13R1.82 COC(=O)c1cccc(c1N)O[13CH3] 7a_100015205654_200025704644 [0,2,0,0,0,0|0,0,0]=2 5315 B13R1.82 COC(=O)c1cccc(c1N)SC 62a_100011356556_200000210301 [0,2,0,0,0,0|0,1,0]=3 5316 B13R1.82 COC(=O)c1cccc(c1N)S[13CH3] 62a_100011356556_200025704644 [0,2,0,0,0,0|0,1,0]=3 5317 B13R1.82 COC(=O)c1cccc(c1O)OC 271570a_203496583355_100010189551 [0,2,0,0,0,0|0,0,0]=2 5318 B13R1.82 COC(=O)c1cccc(c1O)SC 62a_100009816214_200000210301 [0,2,0,0,0,0|0,1,0]=3 5319 B13R1.82 COC(=O)c1cccc(c1O)S[13CH3] 62a_100009816214_200025704644 [0,2,0,0,0,0|0,1,0]=3 5320 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_100000087782_200000210301 [0,2,0,0,0,0|1,1,0]=4 5321 B13R1.82 COC(=O)c1ccnc(c1C)SC 62a_200000210301_100000087782 [0,2,0,0,0,0|1,1,0]=4 5322 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_100000087782_200025704644 [0,2,0,0,0,0|1,1,0]=4 5323 B13R1.82 COC(=O)c1ccnc(c1C)S[13CH3] 62a_200025704644_100000087782 [0,2,0,0,0,0|1,1,0]=4 5324 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_100000081818_200000210301 [0,2,0,0,0,0|1,1,0]=4 5325 B13R1.82 COC(=O)c1ccnc(c1F)SC 62a_200000210301_100000081818 [0,2,0,0,0,0|1,1,0]=4 5326 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_100000081818_200025704644 [0,2,0,0,0,0|1,1,0]=4 5327 B13R1.82 COC(=O)c1ccnc(c1F)S[13CH3] 62a_200025704644_100000081818 [0,2,0,0,0,0|1,1,0]=4 5328 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_100000067308_200000210301 [0,2,0,0,0,0|1,1,0]=4 5329 B13R1.82 COC(=O)c1ccnc(c1N)SC 62a_200000210301_100000067308 [0,2,0,0,0,0|1,1,0]=4 5330 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_100000067308_200025704644 [0,2,0,0,0,0|1,1,0]=4 5331 B13R1.82 COC(=O)c1ccnc(c1N)S[13CH3] 62a_200025704644_100000067308 [0,2,0,0,0,0|1,1,0]=4 5332 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_100010713144_200000210301 [0,2,0,0,0,0|1,1,0]=4 5333 B13R1.82 COC(=O)c1cncc(c1C)SC 62a_200000210301_100010713144 [0,2,0,0,0,0|1,1,0]=4 5334 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_100010713144_200025704644 [0,2,0,0,0,0|1,1,0]=4 5335 B13R1.82 COC(=O)c1cncc(c1C)S[13CH3] 62a_200025704644_100010713144 [0,2,0,0,0,0|1,1,0]=4 5336 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_100000094583_200000210301 [0,2,0,0,0,0|1,1,0]=4 5337 B13R1.82 COC(=O)c1nccc(c1C)SC 62a_200000210301_100000094583 [0,2,0,0,0,0|1,1,0]=4 5338 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_100000094583_200025704644 [0,2,0,0,0,0|1,1,0]=4 5339 B13R1.82 COC(=O)c1nccc(c1C)S[13CH3] 62a_200025704644_100000094583 [0,2,0,0,0,0|1,1,0]=4 5340 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_100000687924_200000210301 [0,2,0,0,0,0|1,1,0]=4 5341 B13R1.82 COC(=O)c1nccc(c1F)SC 62a_200000210301_100000687924 [0,2,0,0,0,0|1,1,0]=4 5342 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_100000687924_200025704644 [0,2,0,0,0,0|1,1,0]=4 5343 B13R1.82 COC(=O)c1nccc(c1F)S[13CH3] 62a_200025704644_100000687924 [0,2,0,0,0,0|1,1,0]=4 5344 B13R1.82 COc1cccc(c1Br)C(=O)CF 1458a_100010245468_100015361967 [0,2,0,0,0,0|1,0,0]=3 5345 B13R1.82 COc1cccc(c1C)C(=O)CF 1458a_100011217801_100015361967 [0,2,0,0,0,0|1,0,0]=3 5346 B13R1.82 COc1cccc(c1Cl)C(=O)CF 1458a_100000068443_100015361967 [0,2,0,0,0,0|1,0,0]=3 5347 B13R1.82 COc1cccc(c1F)C(=O)CF 1458a_100000766180_100015361967 [0,2,0,0,0,0|1,0,0]=3 5348 B13R1.82 COc1cccc(c1I)C(=O)CF 1458a_100010075502_100015361967 [0,2,0,0,0,0|1,0,0]=3 5349 B13R1.82 COc1cccc(c1O)C(=O)CF 1458a_100000212136_100015361967 [0,2,0,0,0,0|1,0,0]=3 5350 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200000210301_200012298103 [0,2,0,0,0,0|1,1,0]=4 5351 B13R1.82 CSc1cccc(c1C)C(=O)NN 62a_200012298103_200000210301 [0,2,0,0,0,0|1,1,0]=4 5352 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200012298103_200025704644 [0,2,0,0,0,0|1,1,0]=4 5353 B13R1.82 Cc1c(cccc1C(=O)NN)S[13CH3] 62a_200025704644_200012298103 [0,2,0,0,0,0|1,1,0]=4 5354 B13R1.460 C#CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000184674 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.460 C#CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000184674 [0,2,0,0,0,0|1,0,0]=3 5356 B13R1.460 C#CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000184674 [0,2,0,0,0,0|1,1,0]=4 5357 B13R1.460 C#Cc1cccc(c1)C(=O)CCO 1458a_100011997762_100000211926 [0,2,0,0,0,0|1,0,1]=4 5358 B13R1.460 C=CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210623 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.460 C=CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210623 [0,2,0,0,0,0|1,0,0]=3 5360 B13R1.460 C=CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210623 [0,2,0,0,0,0|1,1,0]=4 5361 B13R1.460 C=Cc1cccc(c1)C(=O)CCO 1458a_100011215009_100000211926 [0,2,0,0,0,0|1,0,1]=4 5362 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [0,2,0,0,0,0|1,0,1]=4 5363 B13R1.460 CCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210303 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [0,2,0,0,0,0|1,0,0]=3 5365 B13R1.460 CCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210303 [0,2,0,0,0,0|1,1,0]=4 5366 B13R1.460 CCNC(=O)c1cccc(c1)CC 11a_100015525214_100011933908 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.460 CCNC(=O)c1cccc(c1)CC 240690a_100015525214_100011933908 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.460 CCNC(=O)c1cccc(c1)CC 527a_100015525214_100011933908 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.460 CCNC(=O)c1cccc(c1)NC 34a_100000181407_200000210301 [0,2,0,0,0,0|2,0,0]=4 5370 B13R1.460 CCNC(=O)c1cccc(c1)NC 7a_100000181407_200000210301 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 34a_100000181407_200025704644 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 7a_100000181407_200025704644 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 5374 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 5375 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 5376 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [0,2,0,0,0,0|1,0,0]=3 5377 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [0,2,0,0,0,0|1,0,0]=3 5378 B13R1.460 CCNC(=O)c1cccc(c1)SC 11a_100015525214_100011217804 [0,2,0,0,0,0|1,1,0]=4 5379 B13R1.460 CCNC(=O)c1cccc(c1)SC 240690a_100015525214_100011217804 [0,2,0,0,0,0|1,1,0]=4 5380 B13R1.460 CCNC(=O)c1cccc(c1)SC 527a_100015525214_100011217804 [0,2,0,0,0,0|1,1,0]=4 5381 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_100000155180_200000210301 [0,2,0,0,0,0|1,1,0]=4 5382 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_200000210301_100000155180 [0,2,0,0,0,0|1,1,0]=4 5383 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_100000155180_200025704644 [0,2,0,0,0,0|1,1,0]=4 5384 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155180 [0,2,0,0,0,0|1,1,0]=4 5385 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_100010210110_200000210301 [0,2,0,0,0,0|1,1,0]=4 5386 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_200000210301_100010210110 [0,2,0,0,0,0|1,1,0]=4 5387 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_100010210110_200025704644 [0,2,0,0,0,0|1,1,0]=4 5388 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100010210110 [0,2,0,0,0,0|1,1,0]=4 5389 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [0,2,0,0,0,0|0,0,0]=2 5390 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [0,2,0,0,0,0|0,0,0]=2 5391 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [0,2,0,0,0,0|0,1,0]=3 5392 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [0,2,0,0,0,0|0,1,0]=3 5393 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [0,2,0,0,0,0|0,1,0]=3 5394 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [0,2,0,0,0,0|0,1,0]=3 5395 B13R1.460 CCOC(=O)c1cccc(n1)NC 27a_100102657272_100000695914 [0,2,0,0,0,0|2,0,0]=4 5396 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_100000695914_200000210301 [0,2,0,0,0,0|1,1,0]=4 5397 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_200000210301_100000695914 [0,2,0,0,0,0|1,1,0]=4 5398 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_100000695914_200025704644 [0,2,0,0,0,0|1,1,0]=4 5399 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000695914 [0,2,0,0,0,0|1,1,0]=4 5400 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_100012350809_200000210301 [0,2,0,0,0,0|1,1,0]=4 5401 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_200000210301_100011213083 [0,2,0,0,0,0|1,1,0]=4 5402 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_100012350809_200025704644 [0,2,0,0,0,0|1,1,0]=4 5403 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011213083 [0,2,0,0,0,0|1,1,0]=4 5404 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [0,2,0,0,0,0|1,0,0]=3 5405 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [0,2,0,0,0,0|1,0,0]=3 5406 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_100000170250_200000210301 [0,2,0,0,0,0|1,1,0]=4 5407 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_200000210301_100000170250 [0,2,0,0,0,0|1,1,0]=4 5408 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_100000170250_200025704644 [0,2,0,0,0,0|1,1,0]=4 5409 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000170250 [0,2,0,0,0,0|1,1,0]=4 5410 B13R1.460 CCOC(C)c1cccc(c1)OC 34a_100000246466_100000210202 [0,2,0,0,0,0|1,0,1]=4 5411 B13R1.460 CCOC(C)c1cccc(c1)OC 7a_100000246466_100000210202 [0,2,0,0,0,0|1,0,1]=4 5412 B13R1.460 CCc1cccc(c1)C(=O)CC#N 1458a_100011933908_100011214920 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.460 CCc1cccc(c1)C(=O)CCF 1458a_100011933908_100011217306 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [0,2,0,0,0,0|1,0,0]=3 5415 B13R1.460 CCc1cccc(c1)C(=O)NNC 22a_100016993582_100011933908 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,2,0,0,0,0|1,0,0]=3 5417 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,2,0,0,0,0|1,0,0]=3 5418 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,2,0,0,0,0|1,0,1]=4 5419 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,2,0,0,0,0|1,0,1]=4 5420 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [0,2,0,0,0,0|1,0,0]=3 5421 B13R1.460 CNNC(=O)c1cccc(c1)SC 22a_100016993582_100011217804 [0,2,0,0,0,0|1,1,0]=4 5422 B13R1.460 COCC(=O)c1cccc(c1)C#N 34a_100138415774_100000751541 [0,2,0,0,0,0|2,0,0]=4 5423 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [0,2,0,0,0,0|0,0,0]=2 5424 B13R1.460 COCC(N)c1cccc(c1)OC 34a_100020589383_200000210301 [0,2,0,0,0,0|1,0,1]=4 5425 B13R1.460 COCN(C)c1cccc(c1)OC 2230a_100000219725_100000766300 [0,2,0,0,0,0|2,0,0]=4 5426 B13R1.460 COCN(C)c1cccc(c1)OC 269982a_100000219725_100000766300 [0,2,0,0,0,0|2,0,0]=4 5427 B13R1.460 COc1cccc(c1)C(=O)CC#N 1458a_100000188888_100011214920 [0,2,0,0,0,0|1,0,0]=3 5428 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [0,2,0,0,0,0|1,0,0]=3 5429 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [0,2,0,0,0,0|0,0,0]=2 5430 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [0,2,0,0,0,0|0,1,0]=3 5431 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [0,2,0,0,0,0|0,1,0]=3 5432 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [0,2,0,0,0,0|0,1,0]=3 5433 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [0,2,0,0,0,0|0,1,0]=3 5434 B13R1.460 COc1cccc(c1)C(C)OCF 34a_100000246466_100015361967 [0,2,0,0,0,0|1,0,1]=4 5435 B13R1.460 COc1cccc(c1)C(C)OCF 7a_100000246466_100015361967 [0,2,0,0,0,0|1,0,1]=4 5436 B13R1.460 COc1cccc(c1)C(N)CO[13CH3] 34a_100020589383_200025704644 [0,2,0,0,0,0|1,0,1]=4 5437 B13R1.460 COc1cccc(c1)N(C)CC=O 2230a_100000219725_200015260668 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.460 COc1cccc(c1)N(C)CC=O 269982a_100000219725_200015260668 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.460 COc1cccc(c1)N(C)CC=O 34a_100000219725_200009817547 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.460 COc1cccc(c1)N(C)CCO 2230a_100000219725_100000211926 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.460 COc1cccc(c1)N(C)CCO 269982a_100000219725_100000211926 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.460 COc1cccc(c1)N(C)CCO 34a_100000219725_100000211926 [0,2,0,0,0,0|2,0,0]=4 5443 B13R1.460 COc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200000210301 [0,2,0,0,0,0|1,0,1]=4 5444 B13R1.460 CSc1cccc(c1)C(=O)CC#N 1458a_100011217804_100011214920 [0,2,0,0,0,0|1,1,0]=4 5445 B13R1.460 CSc1cccc(c1)C(=O)CC#N 62a_100000740218_200000210301 [0,2,0,0,0,0|1,1,0]=4 5446 B13R1.460 CSc1cccc(c1)C(=O)CC#N 62a_200000210301_100000740218 [0,2,0,0,0,0|1,1,0]=4 5447 B13R1.460 CSc1cccc(c1)C(=O)CCF 1458a_100011217804_100011217306 [0,2,0,0,0,0|1,1,0]=4 5448 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [0,2,0,0,0,0|0,1,0]=3 5449 B13R1.460 N#Cc1cccc(c1)C(=O)CCO 1458a_100000183950_100000211926 [0,2,0,0,0,0|2,0,0]=4 5450 B13R1.460 O=C(CCO)c1cccc(c1)CO 1458a_100000746274_100000211926 [0,2,0,0,0,0|2,0,0]=4 5451 B13R1.460 [13CH3]Oc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200025704644 [0,2,0,0,0,0|1,0,1]=4 5452 B13R1.460 [13CH3]Sc1cccc(c1)C(=O)CC#N 62a_100000740218_200025704644 [0,2,0,0,0,0|1,1,0]=4 5453 B13R1.460 [13CH3]Sc1cccc(c1)C(=O)CC#N 62a_200025704644_100000740218 [0,2,0,0,0,0|1,1,0]=4 5454 B13R1.646 CNC(CO)c1cccc(c1)OC 2230a_100020589383_200000210301 [0,2,0,0,0,0|1,0,1]=4 5455 B13R1.646 CNC(CO)c1cccc(c1)OC 34a_100020589383_200000210301 [0,2,0,0,0,0|1,0,1]=4 5456 B13R1.646 COc1cccc(c1)C(CO)N[13CH3] 2230a_100020589383_200025704644 [0,2,0,0,0,0|1,0,1]=4 5457 B13R1.646 COc1cccc(c1)C(CO)N[13CH3] 34a_100020589383_200025704644 [0,2,0,0,0,0|1,0,1]=4 5458 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Br 271570a_100011290941_100012340073 [0,2,0,0,0,0|1,0,1]=4 5459 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)C 271570a_100011290941_100012360116 [0,2,0,0,0,0|1,0,1]=4 5460 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)Cl 271570a_100011290941_100012353682 [0,2,0,0,0,0|1,0,1]=4 5461 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)F 271570a_100011290941_100000154357 [0,2,0,0,0,0|1,0,1]=4 5462 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)N 271570a_100011290941_100000212070 [0,2,0,0,0,0|1,0,1]=4 5463 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,2,0,0,0,0|1,0,1]=4 5464 B13R1.2431 CCC(=O)c1cc(ccc1Br)OC 1458a_100000211723_100000210202 [0,2,0,0,0,0|1,0,0]=3 5465 B13R1.2431 CCC(=O)c1cc(ccc1C)OC 1458a_100011399813_100000210202 [0,2,0,0,0,0|1,0,0]=3 5466 B13R1.2431 CCC(=O)c1cc(ccc1Cl)OC 1458a_100000763818_100000210202 [0,2,0,0,0,0|1,0,0]=3 5467 B13R1.2431 CCC(=O)c1cc(ccc1Cl)SC 1458a_100000212015_100000210202 [0,2,0,0,0,0|1,1,0]=4 5468 B13R1.2431 CCC(=O)c1cc(ccc1F)OC 1458a_100011217016_100000210202 [0,2,0,0,0,0|1,0,0]=3 5469 B13R1.2431 CCC(=O)c1cc(ccc1F)SC 1458a_200012183283_100000210202 [0,2,0,0,0,0|1,1,0]=4 5470 B13R1.2431 CCC(=O)c1cc(ccc1I)OC 1458a_100012339533_100000210202 [0,2,0,0,0,0|1,0,0]=3 5471 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,2,0,0,0,0|1,0,0]=3 5473 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,2,0,0,0,0|2,0,0]=4 5474 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 5475 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 5476 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 11a_106832991635_100000211723 [0,2,0,0,0,0|1,0,0]=3 5477 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 1626a_100102657272_100000211723 [0,2,0,0,0,0|1,0,0]=3 5478 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 240690a_100102657272_100000211723 [0,2,0,0,0,0|1,0,0]=3 5479 B13R1.2431 CNC(=O)c1cc(ccc1Br)OC 527a_100102657272_100000211723 [0,2,0,0,0,0|1,0,0]=3 5480 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 11a_106832991635_100011399813 [0,2,0,0,0,0|1,0,0]=3 5481 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 1626a_100102657272_100011399813 [0,2,0,0,0,0|1,0,0]=3 5482 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 240690a_100102657272_100011399813 [0,2,0,0,0,0|1,0,0]=3 5483 B13R1.2431 CNC(=O)c1cc(ccc1C)OC 527a_100102657272_100011399813 [0,2,0,0,0,0|1,0,0]=3 5484 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 2230a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.2431 CNC(=O)c1cc(ccc1Cl)NC 34a_100000742274_200000210301 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 2230a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.2431 CNC(=O)c1cc(ccc1Cl)N[13CH3] 34a_100000742274_200025704644 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 11a_106832991635_100000763818 [0,2,0,0,0,0|1,0,0]=3 5489 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 1626a_100102657272_100000763818 [0,2,0,0,0,0|1,0,0]=3 5490 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 240690a_100102657272_100000763818 [0,2,0,0,0,0|1,0,0]=3 5491 B13R1.2431 CNC(=O)c1cc(ccc1Cl)OC 527a_100102657272_100000763818 [0,2,0,0,0,0|1,0,0]=3 5492 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 11a_106832991635_100000212015 [0,2,0,0,0,0|1,1,0]=4 5493 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 1626a_100102657272_100000212015 [0,2,0,0,0,0|1,1,0]=4 5494 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 240690a_100102657272_100000212015 [0,2,0,0,0,0|1,1,0]=4 5495 B13R1.2431 CNC(=O)c1cc(ccc1Cl)SC 527a_100102657272_100000212015 [0,2,0,0,0,0|1,1,0]=4 5496 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 2230a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 34a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.2431 CNC(=O)c1cc(ccc1F)NC 7a_100000747870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 2230a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 34a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.2431 CNC(=O)c1cc(ccc1F)N[13CH3] 7a_100000747870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5502 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 11a_106832991635_100011217016 [0,2,0,0,0,0|1,0,0]=3 5503 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 1626a_100102657272_100011217016 [0,2,0,0,0,0|1,0,0]=3 5504 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 240690a_100102657272_100011217016 [0,2,0,0,0,0|1,0,0]=3 5505 B13R1.2431 CNC(=O)c1cc(ccc1F)OC 527a_100102657272_100011217016 [0,2,0,0,0,0|1,0,0]=3 5506 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 11a_106832991635_200012183283 [0,2,0,0,0,0|1,1,0]=4 5507 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 1626a_100102657272_200012183283 [0,2,0,0,0,0|1,1,0]=4 5508 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 240690a_100102657272_200012183283 [0,2,0,0,0,0|1,1,0]=4 5509 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 527a_100102657272_200012183283 [0,2,0,0,0,0|1,1,0]=4 5510 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_100000155058_200000210301 [0,2,0,0,0,0|1,1,0]=4 5511 B13R1.2431 CNC(=O)c1cc(ccc1F)SC 62a_200000210301_100000155058 [0,2,0,0,0,0|1,1,0]=4 5512 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_100000155058_200025704644 [0,2,0,0,0,0|1,1,0]=4 5513 B13R1.2431 CNC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000155058 [0,2,0,0,0,0|1,1,0]=4 5514 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 11a_106832991635_100012339533 [0,2,0,0,0,0|1,0,0]=3 5515 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 1626a_100102657272_100012339533 [0,2,0,0,0,0|1,0,0]=3 5516 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 240690a_100102657272_100012339533 [0,2,0,0,0,0|1,0,0]=3 5517 B13R1.2431 CNC(=O)c1cc(ccc1I)OC 527a_100102657272_100012339533 [0,2,0,0,0,0|1,0,0]=3 5518 B13R1.2431 CNC(=O)c1cc(ccc1N)SC 62a_100000690504_200000210301 [0,2,0,0,0,0|1,1,0]=4 5519 B13R1.2431 CNC(=O)c1cc(ccc1N)S[13CH3] 62a_100000690504_200025704644 [0,2,0,0,0,0|1,1,0]=4 5520 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [0,2,0,0,0,0|1,0,0]=3 5521 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_100009816710_200000210301 [0,2,0,0,0,0|1,1,0]=4 5523 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)SC 62a_200000210301_100009816710 [0,2,0,0,0,0|1,1,0]=4 5524 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_100009816710_200025704644 [0,2,0,0,0,0|1,1,0]=4 5525 B13R1.2431 COC(=O)c1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100009816710 [0,2,0,0,0,0|1,1,0]=4 5526 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 34a_100010230369_200000210301 [0,2,0,0,0,0|0,0,0]=2 5527 B13R1.2431 COC(=O)c1cc(ccc1Br)OC 7a_100010230369_200000210301 [0,2,0,0,0,0|0,0,0]=2 5528 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 34a_100010230369_200025704644 [0,2,0,0,0,0|0,0,0]=2 5529 B13R1.2431 COC(=O)c1cc(ccc1Br)O[13CH3] 7a_100010230369_200025704644 [0,2,0,0,0,0|0,0,0]=2 5530 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_100012340073_200000210301 [0,2,0,0,0,0|0,1,0]=3 5531 B13R1.2431 COC(=O)c1cc(ccc1Br)SC 62a_200000210301_100012340073 [0,2,0,0,0,0|0,1,0]=3 5532 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_100012340073_200025704644 [0,2,0,0,0,0|0,1,0]=3 5533 B13R1.2431 COC(=O)c1cc(ccc1Br)S[13CH3] 62a_200025704644_100012340073 [0,2,0,0,0,0|0,1,0]=3 5534 B13R1.2431 COC(=O)c1cc(ccc1C)OC 34a_100012002527_200000210301 [0,2,0,0,0,0|0,0,0]=2 5535 B13R1.2431 COC(=O)c1cc(ccc1C)OC 7a_100012002527_200000210301 [0,2,0,0,0,0|0,0,0]=2 5536 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 34a_100012002527_200025704644 [0,2,0,0,0,0|0,0,0]=2 5537 B13R1.2431 COC(=O)c1cc(ccc1C)O[13CH3] 7a_100012002527_200025704644 [0,2,0,0,0,0|0,0,0]=2 5538 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_100012360116_200000210301 [0,2,0,0,0,0|0,1,0]=3 5539 B13R1.2431 COC(=O)c1cc(ccc1C)SC 62a_200000210301_100012360116 [0,2,0,0,0,0|0,1,0]=3 5540 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_100012360116_200025704644 [0,2,0,0,0,0|0,1,0]=3 5541 B13R1.2431 COC(=O)c1cc(ccc1C)S[13CH3] 62a_200025704644_100012360116 [0,2,0,0,0,0|0,1,0]=3 5542 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 34a_100012001761_200000210301 [0,2,0,0,0,0|0,0,0]=2 5543 B13R1.2431 COC(=O)c1cc(ccc1Cl)OC 7a_100012001761_200000210301 [0,2,0,0,0,0|0,0,0]=2 5544 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100012001761_200025704644 [0,2,0,0,0,0|0,0,0]=2 5545 B13R1.2431 COC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100012001761_200025704644 [0,2,0,0,0,0|0,0,0]=2 5546 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_100012353682_200000210301 [0,2,0,0,0,0|0,1,0]=3 5547 B13R1.2431 COC(=O)c1cc(ccc1Cl)SC 62a_200000210301_100012353682 [0,2,0,0,0,0|0,1,0]=3 5548 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100012353682_200025704644 [0,2,0,0,0,0|0,1,0]=3 5549 B13R1.2431 COC(=O)c1cc(ccc1Cl)S[13CH3] 62a_200025704644_100012353682 [0,2,0,0,0,0|0,1,0]=3 5550 B13R1.2431 COC(=O)c1cc(ccc1F)OC 34a_100009856154_200000210301 [0,2,0,0,0,0|0,0,0]=2 5551 B13R1.2431 COC(=O)c1cc(ccc1F)OC 7a_100009856154_200000210301 [0,2,0,0,0,0|0,0,0]=2 5552 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 34a_100009856154_200025704644 [0,2,0,0,0,0|0,0,0]=2 5553 B13R1.2431 COC(=O)c1cc(ccc1F)O[13CH3] 7a_100009856154_200025704644 [0,2,0,0,0,0|0,0,0]=2 5554 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_100000216675_200000210301 [0,2,0,0,0,0|0,1,0]=3 5555 B13R1.2431 COC(=O)c1cc(ccc1F)SC 62a_200000210301_100000216675 [0,2,0,0,0,0|0,1,0]=3 5556 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_100000216675_200025704644 [0,2,0,0,0,0|0,1,0]=3 5557 B13R1.2431 COC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100000216675 [0,2,0,0,0,0|0,1,0]=3 5558 B13R1.2431 COC(=O)c1cc(ccc1I)OC 34a_200009888904_200000210301 [0,2,0,0,0,0|0,0,0]=2 5559 B13R1.2431 COC(=O)c1cc(ccc1I)OC 7a_200009888904_200000210301 [0,2,0,0,0,0|0,0,0]=2 5560 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 34a_200009888904_200025704644 [0,2,0,0,0,0|0,0,0]=2 5561 B13R1.2431 COC(=O)c1cc(ccc1I)O[13CH3] 7a_200009888904_200025704644 [0,2,0,0,0,0|0,0,0]=2 5562 B13R1.2431 COC(=O)c1cc(ccc1N)OC 34a_100000694981_200000210301 [0,2,0,0,0,0|0,0,0]=2 5563 B13R1.2431 COC(=O)c1cc(ccc1N)OC 7a_100000694981_200000210301 [0,2,0,0,0,0|0,0,0]=2 5564 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 34a_100000694981_200025704644 [0,2,0,0,0,0|0,0,0]=2 5565 B13R1.2431 COC(=O)c1cc(ccc1N)O[13CH3] 7a_100000694981_200025704644 [0,2,0,0,0,0|0,0,0]=2 5566 B13R1.2431 COC(=O)c1cc(ccc1N)SC 62a_100000212070_200000210301 [0,2,0,0,0,0|0,1,0]=3 5567 B13R1.2431 COC(=O)c1cc(ccc1N)S[13CH3] 62a_100000212070_200025704644 [0,2,0,0,0,0|0,1,0]=3 5568 B13R1.2431 COC(=O)c1cc(ccc1O)C#N 271570a_203496583355_100009817095 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|0,0,0]=2 5572 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|0,1,0]=3 5573 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|0,1,0]=3 5574 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_100010180201_200000210301 [0,2,0,0,0,0|1,1,0]=4 5575 B13R1.2431 COC(=O)c1cc(cnc1C)SC 62a_200000210301_100010180201 [0,2,0,0,0,0|1,1,0]=4 5576 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_100010180201_200025704644 [0,2,0,0,0,0|1,1,0]=4 5577 B13R1.2431 COC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100010180201 [0,2,0,0,0,0|1,1,0]=4 5578 B13R1.2431 COC(=O)c1cc(cnc1Cl)SC 62a_200000210301_100010171060 [0,2,0,0,0,0|1,1,0]=4 5579 B13R1.2431 COC(=O)c1cc(cnc1Cl)S[13CH3] 62a_200025704644_100010171060 [0,2,0,0,0,0|1,1,0]=4 5580 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_100010243567_200000210301 [0,2,0,0,0,0|1,1,0]=4 5581 B13R1.2431 COC(=O)c1cc(cnc1F)SC 62a_200000210301_100010243567 [0,2,0,0,0,0|1,1,0]=4 5582 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_100010243567_200025704644 [0,2,0,0,0,0|1,1,0]=4 5583 B13R1.2431 COC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010243567 [0,2,0,0,0,0|1,1,0]=4 5584 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_100009816750_200000210301 [0,2,0,0,0,0|1,1,0]=4 5585 B13R1.2431 COC(=O)c1cc(cnc1N)SC 62a_200000210301_100009816750 [0,2,0,0,0,0|1,1,0]=4 5586 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_100009816750_200025704644 [0,2,0,0,0,0|1,1,0]=4 5587 B13R1.2431 COC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100009816750 [0,2,0,0,0,0|1,1,0]=4 5588 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_100009858526_200000210301 [0,2,0,0,0,0|1,1,0]=4 5589 B13R1.2431 COC(=O)c1cc(ncc1C)SC 62a_200000210301_100009858526 [0,2,0,0,0,0|1,1,0]=4 5590 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_100009858526_200025704644 [0,2,0,0,0,0|1,1,0]=4 5591 B13R1.2431 COC(=O)c1cc(ncc1C)S[13CH3] 62a_200025704644_100009858526 [0,2,0,0,0,0|1,1,0]=4 5592 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_100010218257_200000210301 [0,2,0,0,0,0|1,1,0]=4 5593 B13R1.2431 COC(=O)c1cc(ncc1F)SC 62a_200000210301_100010218257 [0,2,0,0,0,0|1,1,0]=4 5594 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_100010218257_200025704644 [0,2,0,0,0,0|1,1,0]=4 5595 B13R1.2431 COC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100010218257 [0,2,0,0,0,0|1,1,0]=4 5596 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_100012180746_200000210301 [0,2,0,0,0,0|1,1,0]=4 5597 B13R1.2431 COC(=O)c1cc(ncc1N)SC 62a_200000210301_100012180746 [0,2,0,0,0,0|1,1,0]=4 5598 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_100012180746_200025704644 [0,2,0,0,0,0|1,1,0]=4 5599 B13R1.2431 COC(=O)c1cc(ncc1N)S[13CH3] 62a_200025704644_100012180746 [0,2,0,0,0,0|1,1,0]=4 5600 B13R1.2431 COC(=O)c1cc(ncc1O)OC 271570a_203496583355_100010178712 [0,2,0,0,0,0|1,0,0]=3 5601 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_100010136202_200000210301 [0,2,0,0,0,0|1,1,0]=4 5602 B13R1.2431 COC(=O)c1cc(ncc1O)SC 62a_200000210301_100010136202 [0,2,0,0,0,0|1,1,0]=4 5603 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_100010136202_200025704644 [0,2,0,0,0,0|1,1,0]=4 5604 B13R1.2431 COC(=O)c1cc(ncc1O)S[13CH3] 62a_200025704644_100010136202 [0,2,0,0,0,0|1,1,0]=4 5605 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_100000117997_200000210301 [0,2,0,0,0,0|1,1,0]=4 5606 B13R1.2431 COC(=O)c1nc(ccc1C)SC 62a_200000210301_100000117997 [0,2,0,0,0,0|1,1,0]=4 5607 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_100000117997_200025704644 [0,2,0,0,0,0|1,1,0]=4 5608 B13R1.2431 COC(=O)c1nc(ccc1C)S[13CH3] 62a_200025704644_100000117997 [0,2,0,0,0,0|1,1,0]=4 5609 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_100000697719_200000210301 [0,2,0,0,0,0|1,1,0]=4 5610 B13R1.2431 COC(=O)c1nc(ccc1F)SC 62a_200000210301_100000697719 [0,2,0,0,0,0|1,1,0]=4 5611 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_100000697719_200025704644 [0,2,0,0,0,0|1,1,0]=4 5612 B13R1.2431 COC(=O)c1nc(ccc1F)S[13CH3] 62a_200025704644_100000697719 [0,2,0,0,0,0|1,1,0]=4 5613 B13R1.2431 COC(=O)c1nc(ccc1N)SC 62a_100009860768_200000210301 [0,2,0,0,0,0|1,1,0]=4 5614 B13R1.2431 COC(=O)c1nc(ccc1N)S[13CH3] 62a_100009860768_200025704644 [0,2,0,0,0,0|1,1,0]=4 5615 B13R1.2431 COC(=O)c1nc(ccc1O)OC 271570a_203496583355_100010189643 [0,2,0,0,0,0|1,0,0]=3 5616 B13R1.2431 COC(=O)c1nc(ccc1O)SC 62a_200000210301_100000697862 [0,2,0,0,0,0|1,1,0]=4 5617 B13R1.2431 COC(=O)c1nc(ccc1O)S[13CH3] 62a_200025704644_100000697862 [0,2,0,0,0,0|1,1,0]=4 5618 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Br 1458a_100000211723_100015361967 [0,2,0,0,0,0|1,0,0]=3 5619 B13R1.2431 COc1ccc(c(c1)C(=O)CF)C 1458a_100011399813_100015361967 [0,2,0,0,0,0|1,0,0]=3 5620 B13R1.2431 COc1ccc(c(c1)C(=O)CF)Cl 1458a_100000763818_100015361967 [0,2,0,0,0,0|1,0,0]=3 5621 B13R1.2431 COc1ccc(c(c1)C(=O)CF)F 1458a_100011217016_100015361967 [0,2,0,0,0,0|1,0,0]=3 5622 B13R1.2431 COc1ccc(c(c1)C(=O)CF)I 1458a_100012339533_100015361967 [0,2,0,0,0,0|1,0,0]=3 5623 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [0,2,0,0,0,0|1,0,0]=3 5624 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [0,2,0,0,0,0|1,0,0]=3 5625 B13R1.2431 CSc1ccc(c(c1)C(=O)CF)Cl 1458a_100000212015_100015361967 [0,2,0,0,0,0|1,1,0]=4 5626 B13R1.2431 CSc1ccc(c(c1)C(=O)CF)F 1458a_200012183283_100015361967 [0,2,0,0,0,0|1,1,0]=4 5627 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200000210301_200011356971 [0,2,0,0,0,0|1,1,0]=4 5628 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200000210301 [0,2,0,0,0,0|1,1,0]=4 5629 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200000210301 [0,2,0,0,0,0|1,1,0]=4 5630 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)Cl 62a_200000210301_200000049959 [0,2,0,0,0,0|1,1,0]=4 5631 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)O 62a_200000210301_100000193350 [0,2,0,0,0,0|1,1,0]=4 5632 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200011356971_200025704644 [0,2,0,0,0,0|1,1,0]=4 5633 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Br 62a_200025704644_200011356971 [0,2,0,0,0,0|1,1,0]=4 5634 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200000049959_200025704644 [0,2,0,0,0,0|1,1,0]=4 5635 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)Cl 62a_200025704644_200000049959 [0,2,0,0,0,0|1,1,0]=4 5636 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)O 62a_200025704644_100000193350 [0,2,0,0,0,0|1,1,0]=4 5637 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 270084a_100102657272_100000750905 [0,2,0,0,0,0|1,0,1]=4 5638 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 274078a_100102657272_100000750905 [0,2,0,0,0,0|1,0,1]=4 5639 B13R1.3040 CNS(=O)(=O)c1cccc(c1)OC 40a_100102657272_200010300420 [0,2,0,0,0,0|1,0,1]=4 5640 B13R1.2137 C=C(C)c1cccc(c1C#N)OC 271570a_100000694244_100012356440 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.2137 C=C(C)c1cccc(c1C=O)OC 271570a_100000694244_100009814803 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.2137 C=C(C)c1cccc(c1OC)OC 271570a_100000694244_100009815961 [0,2,0,0,0,0|2,0,0]=4 5643 B13R1.2137 CCc1c(cccc1C(=O)C)OC 1458a_100000101922_200000210301 [0,2,0,0,0,0|1,0,0]=3 5644 B13R1.2137 CCc1c(cccc1C(=O)[13CH3])OC 1458a_100000101922_200025704644 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.2137 COc1c(cccc1C(=O)C)SC 62a_100010725610_200000210301 [0,2,0,0,0,0|1,1,0]=4 5646 B13R1.2137 COc1c(cccc1C(=O)C)S[13CH3] 62a_100010725610_200025704644 [0,2,0,0,0,0|1,1,0]=4 5647 B13R1.2137 COc1c(cccc1C(=O)N)SC 62a_100010146779_200000210301 [0,2,0,0,0,0|1,1,0]=4 5648 B13R1.2137 COc1c(cccc1C(=O)N)S[13CH3] 62a_100010146779_200025704644 [0,2,0,0,0,0|1,1,0]=4 5649 B13R1.2137 COc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_200000064994_200025704644 [0,2,0,0,0,0|1,0,1]=4 5650 B13R1.2137 COc1cccc(c1OC)C(=O)C 1458a_100000210806_200000210301 [0,2,0,0,0,0|1,0,0]=3 5651 B13R1.2137 COc1cccc(c1OC)C(=O)[13CH3] 1458a_100000210806_200025704644 [0,2,0,0,0,0|1,0,0]=3 5652 B13R1.2137 COc1cccc(c1OC)[N+](=O)[O-] 34a_200000064994_200000210301 [0,2,0,0,0,0|1,0,1]=4 5653 B13R1.2137 COc1cccc(c1SC)B(O)O 62a_100011080734_200000210301 [0,2,0,0,0,0|1,0,1]=4 5654 B13R1.2137 COc1cccc(c1SC)B(O)O 62a_200000210301_100011080734 [0,2,0,0,0,0|1,0,1]=4 5655 B13R1.2137 COc1cccc(c1S[13CH3])B(O)O 62a_100011080734_200025704644 [0,2,0,0,0,0|1,0,1]=4 5656 B13R1.2137 COc1cccc(c1S[13CH3])B(O)O 62a_200025704644_100011080734 [0,2,0,0,0,0|1,0,1]=4 5657 B13R1.3097 C=C(C)c1c(ccc(c1C)OC)C 271570a_100000694244_100016151084 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.3097 C=C(C)c1c(ccc(c1F)OC)F 271570a_100000694244_100010946477 [0,2,0,0,0,0|2,0,0]=4 5659 B13R1.3097 COc1ccc(c(c1Br)C(=O)C)Br 1458a_200020932704_200000210301 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.3097 COc1ccc(c(c1Br)C(=O)[13CH3])Br 1458a_200020932704_200025704644 [0,2,0,0,0,0|1,0,0]=3 5661 B13R1.3097 COc1ccc(c(c1C)C(=O)C)Br 1458a_100010074600_200000210301 [0,2,0,0,0,0|1,0,0]=3 5662 B13R1.3097 COc1ccc(c(c1C)C(=O)[13CH3])Br 1458a_100010074600_200025704644 [0,2,0,0,0,0|1,0,0]=3 5663 B13R1.3097 COc1ccc(c(c1C)[N+](=O)[O-])C 34a_200009873845_200000210301 [0,2,0,0,0,0|1,0,1]=4 5664 B13R1.3097 COc1ccc(c(c1C)[N+](=O)[O-])C 7a_200009873845_200000210301 [0,2,0,0,0,0|1,0,1]=4 5665 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)Cl 1458a_200010760820_200000210301 [0,2,0,0,0,0|1,0,0]=3 5666 B13R1.3097 COc1ccc(c(c1Cl)C(=O)C)F 1458a_100000062076_200000210301 [0,2,0,0,0,0|1,0,0]=3 5667 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])Cl 1458a_200010760820_200025704644 [0,2,0,0,0,0|1,0,0]=3 5668 B13R1.3097 COc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000062076_200025704644 [0,2,0,0,0,0|1,0,0]=3 5669 B13R1.3097 COc1ccc(c(c1Cl)[N+](=O)[O-])Cl 34a_100000062095_200000210301 [0,2,0,0,0,0|1,0,1]=4 5670 B13R1.3097 COc1ccc(c(c1Cl)[N+](=O)[O-])Cl 7a_100000062095_200000210301 [0,2,0,0,0,0|1,0,1]=4 5671 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Br 1458a_100010204293_200000210301 [0,2,0,0,0,0|1,0,0]=3 5672 B13R1.3097 COc1ccc(c(c1F)C(=O)C)Cl 1458a_100000062078_200000210301 [0,2,0,0,0,0|1,0,0]=3 5673 B13R1.3097 COc1ccc(c(c1F)C(=O)C)F 1458a_100000062053_200000210301 [0,2,0,0,0,0|1,0,0]=3 5674 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200000210301 [0,2,0,0,0,0|1,0,0]=3 5675 B13R1.3097 COc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200000210301 [0,2,0,0,0,0|1,0,0]=3 5676 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010204293_200025704644 [0,2,0,0,0,0|1,0,0]=3 5677 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000062078_200025704644 [0,2,0,0,0,0|1,0,0]=3 5678 B13R1.3097 COc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000062053_200025704644 [0,2,0,0,0,0|1,0,0]=3 5679 B13R1.3097 Cc1ccc(c(c1[N+](=O)[O-])C)O[13CH3] 34a_200009873845_200025704644 [0,2,0,0,0,0|1,0,1]=4 5680 B13R1.3097 Cc1ccc(c(c1[N+](=O)[O-])C)O[13CH3] 7a_200009873845_200025704644 [0,2,0,0,0,0|1,0,1]=4 5681 B13R1.3097 [13CH3]Oc1ccc(c(c1Cl)[N+](=O)[O-])Cl 34a_100000062095_200025704644 [0,2,0,0,0,0|1,0,1]=4 5682 B13R1.3097 [13CH3]Oc1ccc(c(c1Cl)[N+](=O)[O-])Cl 7a_100000062095_200025704644 [0,2,0,0,0,0|1,0,1]=4 5683 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 34a_100009825046_200025704644 [0,2,0,0,0,0|1,0,0]=3 5684 B13R1.3097 [13CH3]Oc1ccc(c(c1F)C(=O)N)F 7a_100009825046_200025704644 [0,2,0,0,0,0|1,0,0]=3 5685 B13R1.2430 C=C(C)c1cc(ccc1C#N)OC 271570a_100000694244_100012355471 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.2430 C=C(C)c1cc(ccc1C=O)OC 271570a_100000694244_100000723261 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.2430 C=C(C)c1cc(ccc1CO)OC 271570a_100000694244_100011982768 [0,2,0,0,0,0|2,0,0]=4 5688 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.2430 C=Cc1ccc(cc1B(O)O)OC 271570a_100011290941_100009814730 [0,2,0,0,0,0|1,0,1]=4 5690 B13R1.2430 C=Cc1ccc(cc1C(=O)C)OC 271570a_100011290941_100011360761 [0,2,0,0,0,0|1,0,0]=3 5691 B13R1.2430 C=Cc1ccc(cc1C(=O)N)OC 271570a_100011290941_100000162014 [0,2,0,0,0,0|1,0,0]=3 5692 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5694 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5695 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5696 B13R1.2430 CCc1ccc(c(c1)C(=O)N)NC 34a_100014932089_200000210301 [0,2,0,0,0,0|2,0,0]=4 5697 B13R1.2430 CCc1ccc(c(c1)C(=O)N)NC 7a_100014932089_200000210301 [0,2,0,0,0,0|2,0,0]=4 5698 B13R1.2430 CCc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100014932089_200025704644 [0,2,0,0,0,0|2,0,0]=4 5699 B13R1.2430 CCc1ccc(c(c1)C(=O)N)N[13CH3] 7a_100014932089_200025704644 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.2430 CNc1ccc(cc1C(=O)N)OC 34a_100011380456_200000210301 [0,2,0,0,0,0|1,0,0]=3 5703 B13R1.2430 CNc1ccc(cc1C(=O)N)SC 62a_200010114593_200000210301 [0,2,0,0,0,0|1,1,0]=4 5704 B13R1.2430 CNc1ccc(cc1C(=O)N)S[13CH3] 62a_200010114593_200025704644 [0,2,0,0,0,0|1,1,0]=4 5705 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_100009814730_200000210301 [0,2,0,0,0,0|1,0,1]=4 5706 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_200000210301_100009814730 [0,2,0,0,0,0|1,0,1]=4 5707 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_100009814730_200025704644 [0,2,0,0,0,0|1,0,1]=4 5708 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_200025704644_100009814730 [0,2,0,0,0,0|1,0,1]=4 5709 B13R1.2430 COc1ccc(c(c1)C(=O)C)C#N 1458a_100011219403_200000210301 [0,2,0,0,0,0|1,0,0]=3 5710 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,2,0,0,0,0|1,0,0]=3 5711 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,2,0,0,0,0|1,0,0]=3 5712 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,2,0,0,0,0|1,0,0]=3 5713 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,2,0,0,0,0|1,0,0]=3 5714 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,2,0,0,0,0|1,0,0]=3 5715 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,2,0,0,0,0|1,0,0]=3 5716 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,2,0,0,0,0|1,0,0]=3 5717 B13R1.2430 COc1ccc(c(c1)C(=O)C)SC 62a_100011360761_200000210301 [0,2,0,0,0,0|1,0,0]=3 5718 B13R1.2430 COc1ccc(c(c1)C(=O)C)S[13CH3] 62a_100011360761_200025704644 [0,2,0,0,0,0|1,0,0]=3 5719 B13R1.2430 COc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011380456_200025704644 [0,2,0,0,0,0|1,0,0]=3 5720 B13R1.2430 COc1ccc(c(c1)C(=O)N)SC 62a_100000162014_200000210301 [0,2,0,0,0,0|1,0,0]=3 5721 B13R1.2430 COc1ccc(c(c1)C(=O)N)S[13CH3] 62a_100000162014_200025704644 [0,2,0,0,0,0|1,0,0]=3 5722 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])C#N 1458a_100011219403_200025704644 [0,2,0,0,0,0|1,0,0]=3 5723 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,2,0,0,0,0|1,0,0]=3 5724 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CO 34a_200009888365_200000210301 [0,2,0,0,0,0|1,0,1]=4 5725 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CO 7a_200009888365_200000210301 [0,2,0,0,0,0|1,0,1]=4 5726 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000211607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5727 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000716441_200000210301 [0,2,0,0,0,0|1,0,1]=4 5728 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000211607_200000210301 [0,2,0,0,0,0|1,0,1]=4 5729 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000716441_200000210301 [0,2,0,0,0,0|1,0,1]=4 5730 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000211607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5731 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000211607_200025704644 [0,2,0,0,0,0|1,0,1]=4 5732 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,2,0,0,0,0|1,0,0]=3 5733 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,2,0,0,0,0|1,0,0]=3 5734 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,2,0,0,0,0|1,1,0]=4 5735 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,2,0,0,0,0|1,1,0]=4 5736 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [0,2,0,0,0,0|2,0,0]=4 5738 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000716441_200025704644 [0,2,0,0,0,0|1,0,1]=4 5739 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000716441_200025704644 [0,2,0,0,0,0|1,0,1]=4 5740 B13R1.2430 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])CO 34a_200009888365_200025704644 [0,2,0,0,0,0|1,0,1]=4 5741 B13R1.2430 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])CO 7a_200009888365_200025704644 [0,2,0,0,0,0|1,0,1]=4 5742 B11R1.37 C=Cc1cc(=O)[nH]cc1OC 271570a_100011290941_100121573661 [0,0,1,1,0,0|2,0,0]=4 5743 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [0,0,1,1,0,0|2,0,0]=4 5744 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [0,0,1,1,0,0|2,0,0]=4 5745 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [0,0,1,1,0,0|2,0,0]=4 5746 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [0,0,1,1,0,0|2,0,0]=4 5747 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [0,0,1,1,0,0|2,0,0]=4 5748 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [0,0,1,1,0,0|1,0,0]=3 5749 B11R1.37 C=Cc1nc(ccc1OC)C 271570a_100011290941_100009820875 [0,0,1,1,0,0|2,0,0]=4 5750 B11R1.37 C=Cc1nc(ccc1OC)N 271570a_100011290941_100010172607 [0,0,1,1,0,0|2,0,0]=4 5751 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [0,0,1,1,0,0|2,0,0]=4 5752 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|2,0,0]=4 5753 B13R2.581 C=Cc1cccc2c1oc(=O)[nH]2 271570a_100011290941_100012360093 [0,0,0,1,0,1|1,0,1]=4 5754 B13R2.581 CNc1cccc2c1oc(c2)C 34a_200015185323_200000210301 [0,0,0,1,0,1|2,0,0]=4 5755 B13R2.581 COc1cccc2c1cc([nH]2)C 34a_200000059750_200000210301 [0,0,0,1,0,1|2,0,0]=4 5756 B13R2.581 COc1cccc2c1nc(o2)N 7a_100009892541_200000210301 [0,0,0,1,0,1|2,0,0]=4 5757 B13R2.581 COc1cccc2c1nc(s2)N 7a_100000065795_200000210301 [0,0,0,1,0,1|2,0,0]=4 5758 B13R2.581 COc1cccc2c1nc(s2)O 271570a_203496583355_100010195968 [0,0,0,1,0,1|1,0,0]=3 5759 B13R2.581 CSc1cccc2c1CC(=O)C2 62a_100010205903_200000210301 [0,0,0,1,0,1|1,1,0]=4 5760 B13R2.581 CSc1cccc2c1CC(=O)N2 62a_200000210301_100009816812 [0,0,0,1,0,1|1,1,0]=4 5761 B13R2.581 CSc1cccc2c1NC(=O)C2 62a_200000210301_100000767046 [0,0,0,1,0,1|1,1,0]=4 5762 B13R2.581 CSc1cccc2c1oc(n2)C 62a_200000210301_100010168998 [0,0,0,1,0,1|1,1,0]=4 5763 B13R2.581 Cc1cc2c(cccc2[nH]1)O[13CH3] 34a_200000059750_200025704644 [0,0,0,1,0,1|2,0,0]=4 5764 B13R2.581 Cc1cc2cccc(c2o1)N[13CH3] 34a_200015185323_200025704644 [0,0,0,1,0,1|2,0,0]=4 5765 B13R2.581 Cc1nc2cccc(c2o1)S[13CH3] 62a_200025704644_100010168998 [0,0,0,1,0,1|1,1,0]=4 5766 B13R2.581 [13CH3]Oc1cccc2c1nc(o2)N 7a_100009892541_200025704644 [0,0,0,1,0,1|2,0,0]=4 5767 B13R2.581 [13CH3]Oc1cccc2c1nc(s2)N 7a_100000065795_200025704644 [0,0,0,1,0,1|2,0,0]=4 5768 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)C2 62a_100010205903_200025704644 [0,0,0,1,0,1|1,1,0]=4 5769 B13R2.581 [13CH3]Sc1cccc2c1CC(=O)N2 62a_200025704644_100009816812 [0,0,0,1,0,1|1,1,0]=4 5770 B13R2.581 [13CH3]Sc1cccc2c1NC(=O)C2 62a_200025704644_100000767046 [0,0,0,1,0,1|1,1,0]=4 5771 B13R2.2121 C=Cc1ccc2oc(=O)[nH]c2c1 271570a_100011290941_100000764829 [0,0,0,1,0,1|1,0,1]=4 5772 B13R2.2121 CNc1ccc2oc(nc2c1)C 34a_100000195416_200000210301 [0,0,0,1,0,1|2,0,0]=4 5773 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,1|1,0,0]=3 5774 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,0,0,1,0,1|2,0,0]=4 5775 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,0,0,1,0,1|2,0,0]=4 5776 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,0,0,1,0,1|0,0,0]=2 5777 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,0,0,1,0,1|0,0,0]=2 5778 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,0,0,1,0,1|2,0,0]=4 5779 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,0,0,1,0,1|2,0,0]=4 5780 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,0,0,1,0,1|2,0,0]=4 5781 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,0,0,1,0,1|2,0,0]=4 5782 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,0,0,1,0,1|2,0,0]=4 5783 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,0,0,1,0,1|2,0,0]=4 5784 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,0,0,1,0,1|2,0,0]=4 5785 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,0,0,1,0,1|2,0,0]=4 5786 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,0,0,1,0,1|2,0,0]=4 5787 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,0,0,1,0,1|1,0,0]=3 5788 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,0,0,1,0,1|1,0,0]=3 5789 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,0,0,1,0,1|1,0,0]=3 5790 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,0,0,1,0,1|1,0,0]=3 5791 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,0,0,1,0,1|1,0,0]=3 5792 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,0,0,1,0,1|1,1,0]=4 5793 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,0,0,1,0,1|1,1,0]=4 5794 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,0,0,1,0,1|1,1,0]=4 5795 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,0,0,1,0,1|1,1,0]=4 5796 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,1|1,1,0]=4 5797 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,0,0,1,0,1|1,1,0]=4 5798 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,0,0,1,0,1|1,1,0]=4 5799 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,0,0,1,0,1|1,1,0]=4 5800 B13R2.2121 CSc1ccc2oc(nc2c1)C 62a_200000210301_100009816932 [0,0,0,1,0,1|1,1,0]=4 5801 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,0,0,1,0,1|2,0,0]=4 5802 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,0,0,1,0,1|2,0,0]=4 5803 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,0,0,1,0,1|2,0,0]=4 5804 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,0,0,1,0,1|2,0,0]=4 5805 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,0,0,1,0,1|2,0,0]=4 5806 B13R2.2121 Cc1nc2cc(ccc2o1)N[13CH3] 34a_100000195416_200025704644 [0,0,0,1,0,1|2,0,0]=4 5807 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,0,0,1,0,1|1,0,0]=3 5808 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,0,0,1,0,1|1,0,0]=3 5809 B13R2.2121 Cc1nc2cc(ccc2o1)S[13CH3] 62a_200025704644_100009816932 [0,0,0,1,0,1|1,1,0]=4 5810 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,0,0,1,0,1|1,1,0]=4 5811 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,0,0,1,0,1|1,1,0]=4 5812 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,0,0,1,0,1|2,0,0]=4 5813 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,0,0,1,0,1|2,0,0]=4 5814 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,0,0,1,0,1|2,0,0]=4 5815 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,0,0,1,0,1|2,0,0]=4 5816 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,1|1,0,0]=3 5817 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,0,0,1,0,1|0,0,0]=2 5818 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,0,0,1,0,1|0,0,0]=2 5819 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,0,0,1,0,1|2,0,0]=4 5820 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,0,0,1,0,1|2,0,0]=4 5821 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,0,0,1,0,1|1,0,0]=3 5822 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,0,0,1,0,1|1,0,0]=3 5823 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,0,0,1,0,1|1,1,0]=4 5824 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,0,0,1,0,1|1,1,0]=4 5825 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,1|1,1,0]=4 5826 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,0,0,1,0,1|1,1,0]=4 5827 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,0,0,1,0,1|1,1,0]=4 5828 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,0,0,1,0,1|1,1,0]=4 5829 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,1,0,1,0,0|2,0,0]=4 5830 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|2,0,0]=4 5831 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|2,0,0]=4 5832 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|2,0,0]=4 5833 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|2,0,0]=4 5834 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|1,0,0]=3 5835 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|1,0,1]=4 5836 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,1,0,0|1,0,1]=4 5837 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,1,0,0|2,0,0]=4 5838 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|2,0,0]=4 5839 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|2,0,0]=4 5840 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|1,0,0]=3 5841 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|1,0,1]=4 5842 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,1,0,0|1,0,1]=4 5843 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,1,0,0|2,0,0]=4 5844 B13R2.429 CC(=O)c1cccc(c1)C2CC2 1458a_100011260452_200000210301 [0,1,0,1,0,0|2,0,0]=4 5845 B13R2.429 CC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000210093 [0,1,0,1,0,0|2,0,0]=4 5846 B13R2.429 NC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000162208 [0,1,0,1,0,0|2,0,0]=4 5847 B13R2.429 [13CH3]C(=O)c1cccc(c1)C2CC2 1458a_100011260452_200025704644 [0,1,0,1,0,0|2,0,0]=4 5848 B13R2.5569 C=C(C)c1cccc2c1CCO2 271570a_100000694244_100009819624 [0,1,0,1,0,0|2,0,0]=4 5849 B13R2.5569 C=C(C)c1cccc2c1COC2 271570a_100000694244_100010384907 [0,1,0,1,0,0|2,0,0]=4 5850 B13R2.5569 C=C(C)c1cccc2c1OCO2 271570a_100000694244_100009814252 [0,1,0,1,0,0|2,0,0]=4 5851 B13R2.5569 CC(=O)c1cccc2c1CCC2 1458a_100000051556_200000210301 [0,1,0,1,0,0|2,0,0]=4 5852 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [0,1,0,1,0,0|2,0,0]=4 5853 B13R2.5569 CC(=O)c1cccc2c1OCO2 1458a_100000048783_200000210301 [0,1,0,1,0,0|1,0,0]=3 5854 B13R2.5569 CC(=O)c1cccc2c1cco2 1458a_100000045549_200000210301 [0,1,0,1,0,0|1,0,1]=4 5855 B13R2.5569 CC(=O)c1cccc2c1nco2 1458a_100012186847_200000210301 [0,1,0,1,0,0|1,0,1]=4 5856 B13R2.5569 [13CH3]C(=O)c1cccc2c1CCC2 1458a_100000051556_200025704644 [0,1,0,1,0,0|2,0,0]=4 5857 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [0,1,0,1,0,0|2,0,0]=4 5858 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCO2 1458a_100000048783_200025704644 [0,1,0,1,0,0|1,0,0]=3 5859 B13R2.5569 [13CH3]C(=O)c1cccc2c1cco2 1458a_100000045549_200025704644 [0,1,0,1,0,0|1,0,1]=4 5860 B13R2.5569 [13CH3]C(=O)c1cccc2c1nco2 1458a_100012186847_200025704644 [0,1,0,1,0,0|1,0,1]=4 5861 B13R2.573 C=Cc1cccc2c1COC2=O 271570a_100011290941_100010167076 [0,1,0,1,0,0|1,0,1]=4 5862 B13R2.573 C=Cc1cccc2c1OCC2=O 271570a_100011290941_100011230590 [0,1,0,1,0,0|1,0,1]=4 5863 B13R2.573 CNc1cccc2c1CNC2=O 2230a_100000087543_200000210301 [0,1,0,1,0,0|2,0,0]=4 5864 B13R2.573 COc1cccc2c1CCC2=O 34a_100000240044_200000210301 [0,1,0,1,0,0|1,0,0]=3 5865 B13R2.573 COc1cccc2c1CCC2=O 7a_100000240044_200000210301 [0,1,0,1,0,0|1,0,0]=3 5866 B13R2.573 COc1cccc2c1CNC2=O 34a_100000098541_200000210301 [0,1,0,1,0,0|1,0,0]=3 5867 B13R2.573 COc1cccc2c1[nH]nc2O 271570a_203496583355_100010231496 [0,1,0,1,0,0|1,0,0]=3 5868 B13R2.573 COc1nccc2c1[nH]cc2O 271570a_203496583355_100010168644 [0,1,0,1,0,0|2,0,0]=4 5869 B13R2.573 CSc1cccc2c1CCC2=O 62a_100000049675_200000210301 [0,1,0,1,0,0|1,1,0]=4 5870 B13R2.573 CSc1cccc2c1CCC2=O 62a_200000210301_100000049675 [0,1,0,1,0,0|1,1,0]=4 5871 B13R2.573 CSc1cccc2c1CNC2=O 62a_100000688282_200000210301 [0,1,0,1,0,0|1,1,0]=4 5872 B13R2.573 CSc1cccc2c1COC2=O 62a_100010167076_200000210301 [0,1,0,1,0,0|0,1,0]=3 5873 B13R2.573 CSc1cccc2c1OCC2=O 62a_200000210301_100011230590 [0,1,0,1,0,0|0,1,0]=3 5874 B13R2.573 CSc1cccc2c1onc2N 62a_100010069758_200000210301 [0,1,0,1,0,0|1,1,0]=4 5875 B13R2.573 CSc1cccc2c1onc2N 62a_200000210301_100010069758 [0,1,0,1,0,0|1,1,0]=4 5876 B13R2.573 [13CH3]Nc1cccc2c1CNC2=O 2230a_100000087543_200025704644 [0,1,0,1,0,0|2,0,0]=4 5877 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 34a_100000240044_200025704644 [0,1,0,1,0,0|1,0,0]=3 5878 B13R2.573 [13CH3]Oc1cccc2c1CCC2=O 7a_100000240044_200025704644 [0,1,0,1,0,0|1,0,0]=3 5879 B13R2.573 [13CH3]Oc1cccc2c1CNC2=O 34a_100000098541_200025704644 [0,1,0,1,0,0|1,0,0]=3 5880 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_100000049675_200025704644 [0,1,0,1,0,0|1,1,0]=4 5881 B13R2.573 [13CH3]Sc1cccc2c1CCC2=O 62a_200025704644_100000049675 [0,1,0,1,0,0|1,1,0]=4 5882 B13R2.573 [13CH3]Sc1cccc2c1CNC2=O 62a_100000688282_200025704644 [0,1,0,1,0,0|1,1,0]=4 5883 B13R2.573 [13CH3]Sc1cccc2c1COC2=O 62a_100010167076_200025704644 [0,1,0,1,0,0|0,1,0]=3 5884 B13R2.573 [13CH3]Sc1cccc2c1OCC2=O 62a_200025704644_100011230590 [0,1,0,1,0,0|0,1,0]=3 5885 B13R2.573 [13CH3]Sc1cccc2c1onc2N 62a_100010069758_200025704644 [0,1,0,1,0,0|1,1,0]=4 5886 B13R2.573 [13CH3]Sc1cccc2c1onc2N 62a_200025704644_100010069758 [0,1,0,1,0,0|1,1,0]=4 5887 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,1,0,1,0,0|1,0,1]=4 5888 B13R2.669 C=Cc1ccc2c(c1)C(=O)OC2 271570a_100011290941_100000693025 [0,1,0,1,0,0|1,0,1]=4 5889 B13R2.669 C=Cc1ccc2o[nH]c(=O)c2c1 271570a_100011290941_100000732257 [0,1,0,1,0,0|1,0,1]=4 5890 B13R2.669 CNc1ccc2onc(c2c1)C 34a_200000044492_200000210301 [0,1,0,1,0,0|2,0,0]=4 5891 B13R2.669 COc1cc2c(c[nH]c2cn1)O 271570a_203496583355_200010163580 [0,1,0,1,0,0|2,0,0]=4 5892 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,1,0,1,0,0|2,0,0]=4 5893 B13R2.669 COc1ccc2[nH]cc(c2n1)O 271570a_203496583355_100010199035 [0,1,0,1,0,0|2,0,0]=4 5894 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [0,1,0,1,0,0|1,0,0]=3 5895 B13R2.669 COc1ccc2[nH]nc(c2n1)O 271570a_203496583355_200010246295 [0,1,0,1,0,0|2,0,0]=4 5896 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,1,0,1,0,0|1,0,0]=3 5897 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,1,0,1,0,0|1,0,0]=3 5898 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,1,0,1,0,0|1,0,0]=3 5899 B13R2.669 COc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010199036 [0,1,0,1,0,0|2,0,0]=4 5900 B13R2.669 CSc1ccc2[nH][nH]c(=O)c2c1 62a_200000210301_100012353726 [0,1,0,1,0,0|1,1,0]=4 5901 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [0,1,0,1,0,0|1,1,0]=4 5902 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [0,1,0,1,0,0|1,1,0]=4 5903 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,1,0,1,0,0|0,1,0]=3 5904 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_100000688121_200000210301 [0,1,0,1,0,0|1,1,0]=4 5905 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_200000210301_100000688121 [0,1,0,1,0,0|1,1,0]=4 5906 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [0,1,0,1,0,0|0,1,0]=3 5907 B13R2.669 CSc1ccc2o[nH]c(=O)c2c1 62a_200000210301_100000732257 [0,1,0,1,0,0|0,1,0]=3 5908 B13R2.669 CSc1ccc2occ(c2c1)C 62a_200000210301_100000728893 [0,1,0,1,0,0|1,1,0]=4 5909 B13R2.669 CSc1ccc2onc(c2c1)C 62a_100010196875_200000210301 [0,1,0,1,0,0|1,1,0]=4 5910 B13R2.669 CSc1ccc2onc(c2c1)C 62a_200000210301_100010196875 [0,1,0,1,0,0|1,1,0]=4 5911 B13R2.669 CSc1ccc2onc(c2c1)N 62a_100012356444_200000210301 [0,1,0,1,0,0|1,1,0]=4 5912 B13R2.669 CSc1ccc2onc(c2c1)N 62a_200000210301_100012356444 [0,1,0,1,0,0|1,1,0]=4 5913 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,1,0,1,0,0|2,0,0]=4 5914 B13R2.669 Cc1coc2c1cc(cc2)S[13CH3] 62a_200025704644_100000728893 [0,1,0,1,0,0|1,1,0]=4 5915 B13R2.669 Cc1noc2c1cc(cc2)N[13CH3] 34a_200000044492_200025704644 [0,1,0,1,0,0|2,0,0]=4 5916 B13R2.669 Cc1noc2c1cc(cc2)S[13CH3] 62a_100010196875_200025704644 [0,1,0,1,0,0|1,1,0]=4 5917 B13R2.669 Cc1noc2c1cc(cc2)S[13CH3] 62a_200025704644_100010196875 [0,1,0,1,0,0|1,1,0]=4 5918 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,1,0,1,0,0|1,0,0]=3 5919 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,1,0,1,0,0|1,0,0]=3 5920 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,1,0,1,0,0|1,0,0]=3 5921 B13R2.669 [13CH3]Sc1ccc2[nH][nH]c(=O)c2c1 62a_200025704644_100012353726 [0,1,0,1,0,0|1,1,0]=4 5922 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [0,1,0,1,0,0|1,1,0]=4 5923 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [0,1,0,1,0,0|1,1,0]=4 5924 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,1,0,1,0,0|0,1,0]=3 5925 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_100000688121_200025704644 [0,1,0,1,0,0|1,1,0]=4 5926 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_200025704644_100000688121 [0,1,0,1,0,0|1,1,0]=4 5927 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [0,1,0,1,0,0|0,1,0]=3 5928 B13R2.669 [13CH3]Sc1ccc2o[nH]c(=O)c2c1 62a_200025704644_100000732257 [0,1,0,1,0,0|0,1,0]=3 5929 B13R2.669 [13CH3]Sc1ccc2onc(c2c1)N 62a_100012356444_200025704644 [0,1,0,1,0,0|1,1,0]=4 5930 B13R2.669 [13CH3]Sc1ccc2onc(c2c1)N 62a_200025704644_100012356444 [0,1,0,1,0,0|1,1,0]=4 5931 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,1,0,1,0,0|2,0,0]=4 5932 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,1,0,1,0,0|2,0,0]=4 5933 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 5934 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 5935 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 5936 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,1,0,1,0,0|2,0,0]=4 5937 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|2,0,0]=4 5938 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|2,0,0]=4 5939 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|2,0,0]=4 5940 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|2,0,0]=4 5941 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|2,0,0]=4 5942 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|2,0,0]=4 5943 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|2,0,0]=4 5944 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|2,0,0]=4 5945 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|2,0,0]=4 5946 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|2,0,0]=4 5947 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 5948 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|2,0,0]=4 5949 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [1,0,0,0,1,0|1,1,0]=4 5950 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [1,0,0,0,1,0|1,1,0]=4 5951 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [1,0,0,0,1,0|1,1,0]=4 5952 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [1,0,0,0,1,0|1,1,0]=4 5953 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [1,0,0,0,1,0|1,1,0]=4 5954 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [1,0,0,0,1,0|1,1,0]=4 5955 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [1,0,0,0,1,0|1,1,0]=4 5956 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [1,0,0,0,1,0|1,1,0]=4 5957 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [1,0,0,0,1,0|1,1,0]=4 5958 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [1,0,0,0,1,0|1,1,0]=4 5959 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [1,0,0,0,1,0|1,1,0]=4 5960 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [1,0,0,0,1,0|1,1,0]=4 5961 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [1,0,0,0,1,0|1,1,0]=4 5962 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [1,0,0,0,1,0|1,1,0]=4 5963 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [1,0,0,0,1,0|1,1,0]=4 5964 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [1,0,0,0,1,0|1,1,0]=4 5965 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,0,0,0,1,0|1,1,0]=4 5966 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,0,0,0,1,0|1,1,0]=4 5967 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,0,0,0,1,0|1,1,0]=4 5968 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,0,0,0,1,0|1,1,0]=4 5969 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,0,0,0,1,0|1,1,0]=4 5970 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,0,0,0,1,0|1,1,0]=4 5971 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,0,0,0,1,0|1,1,0]=4 5972 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,0,0,0,1,0|1,1,0]=4 5973 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,0,0,0,1,0|1,1,0]=4 5974 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,0,0,0,1,0|1,1,0]=4 5975 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,0,0,0,1,0|1,1,0]=4 5976 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,0,0,0,1,0|1,1,0]=4 5977 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,0,0,0,1,0|1,1,0]=4 5978 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,0,0,0,1,0|1,1,0]=4 5979 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,0,0,0,1,0|1,1,0]=4 5980 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,0,0,0,1,0|1,1,0]=4 5981 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,0,0,0,1,0|1,1,0]=4 5982 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,0,0,0,1,0|1,1,0]=4 5983 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,0,0,0,1,0|1,1,0]=4 5984 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,0,0,0,1,0|1,1,0]=4 5985 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,0,0,0,1,0|1,1,0]=4 5986 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,0,0,0,1,0|1,1,0]=4 5987 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,0,0,0,1,0|1,1,0]=4 5988 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,0,0,0,1,0|1,1,0]=4 5989 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,0,0,0,1,0|1,1,0]=4 5990 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,0,0,0,1,0|1,1,0]=4 5991 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,0,0,0,1,0|1,1,0]=4 5992 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,0,0,0,1,0|1,1,0]=4 5993 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,0,0,0,0,1|2,0,0]=4 5994 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,0,1|2,0,0]=4 5995 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [1,0,0,0,0,1|2,0,0]=4 5996 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,1|2,0,0]=4 5997 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,1|2,0,0]=4 5998 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,1|1,0,0]=3 5999 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,1|1,0,0]=3 6000 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,1|2,0,0]=4 6001 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,1|2,0,0]=4 6002 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,1|2,0,0]=4 6003 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,1|2,0,0]=4 6004 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,1|2,0,0]=4 6005 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,1|2,0,0]=4 6006 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,1|1,0,0]=3 6007 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,1|1,0,0]=3 6008 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,1|1,0,0]=3 6009 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [1,0,0,0,0,1|2,0,0]=4 6010 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [1,0,0,0,0,1|2,0,0]=4 6011 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [1,0,0,0,0,1|2,0,0]=4 6012 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [1,0,0,0,0,1|2,0,0]=4 6013 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,0,0,0,0,1|2,0,0]=4 6014 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 6015 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 6016 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,1|2,0,0]=4 6017 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,1|2,0,0]=4 6018 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,1|1,0,0]=3 6019 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,1|1,0,0]=3 6020 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,1|1,0,0]=3 6021 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,1|1,0,0]=3 6022 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 6023 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 6024 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,1|2,0,0]=4 6025 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 6026 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 6027 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,1|2,0,0]=4 6028 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,1|2,0,0]=4 6029 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 6030 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 6031 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,1|2,0,0]=4 6032 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,1|2,0,0]=4 6033 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,1|1,0,0]=3 6034 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,1|1,0,0]=3 6035 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,1|1,0,0]=3 6036 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,1|1,0,0]=3 6037 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,0,0,0,0,1|2,0,0]=4 6038 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,0,0,0,0,1|2,0,0]=4 6039 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,0,0,0,0,1|2,0,0]=4 6040 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,1|1,0,0]=3 6041 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,1|1,0,0]=3 6042 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [1,0,0,0,0,1|2,0,0]=4 6043 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,1|1,0,0]=3 6044 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,1|1,0,0]=3 6045 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,1|2,0,0]=4 6046 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,1|2,0,0]=4 6047 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,1|2,0,0]=4 6048 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,1|2,0,0]=4 6049 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,1|1,0,0]=3 6050 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,1,1|2,0,0]=4 6051 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,1,1|2,0,0]=4 6052 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,1,1|2,0,0]=4 6053 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,1,1|2,0,0]=4 6054 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,1,1|2,0,0]=4 6055 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,0,0,0,1,1|2,0,0]=4 6056 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,0,0,0,1,1|2,0,0]=4 6057 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,1,1|1,0,0]=3 6058 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,1,1|1,0,0]=3 6059 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,1,1|1,1,0]=4 6060 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,1,1|1,1,0]=4 6061 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,1,1|1,0,0]=3 6062 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,1,1|1,0,0]=3 6063 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,1,1|1,1,0]=4 6064 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,1,1|1,1,0]=4 6065 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,1,1|1,1,0]=4 6066 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,1,1|1,1,0]=4 6067 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,1,1|1,0,1]=4 6068 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,1,1|1,0,1]=4 6069 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,1,1|2,0,0]=4 6070 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,1,1|2,0,0]=4 6071 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,1,1|2,0,0]=4 6072 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,1,1|2,0,0]=4 6073 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,1,1|2,0,0]=4 6074 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,1,1|2,0,0]=4 6075 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,1,1|1,0,0]=3 6076 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,1,1|1,0,0]=3 6077 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,1,1|1,0,0]=3 6078 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,1,1|1,0,0]=3 6079 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,1,1|1,0,0]=3 6080 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,1,1|1,0,0]=3 6081 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,1,1|1,0,1]=4 6082 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,1,1|1,0,1]=4 6083 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,1,1|2,0,0]=4 6084 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,1,1|2,0,0]=4 6085 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,1,1|1,0,1]=4 6086 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,1,1|1,0,1]=4 6087 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,1,1|1,0,0]=3 6088 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,1,1|1,0,0]=3 6089 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,0,0,0,1,1|1,0,1]=4 6090 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,1,1|2,0,0]=4 6091 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,1,1|2,0,0]=4 6092 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,1,1|1,1,0]=4 6093 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,1,1|1,1,0]=4 6094 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,1,1|1,1,0]=4 6095 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,1,1|1,1,0]=4 6096 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,1,1|1,1,0]=4 6097 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,1,1|1,1,0]=4 6098 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,1,1|1,1,0]=4 6099 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,1,1|1,1,0]=4 6100 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,1,1|1,1,0]=4 6101 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,1,1|1,1,0]=4 6102 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,1,1|1,1,0]=4 6103 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,1,1|1,1,0]=4 6104 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,1,1|1,1,0]=4 6105 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,1,1|1,1,0]=4 6106 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,1,1|2,0,0]=4 6107 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,1,1|1,0,0]=3 6108 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,1,1|1,0,0]=3 6109 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,1,1|1,0,1]=4 6110 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,1,1|1,0,1]=4 6111 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,0,0,0,1,1|1,0,1]=4 6112 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,1,1|1,1,0]=4 6113 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,1,1|1,1,0]=4 6114 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,1,1|1,1,0]=4 6115 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,1,1|1,1,0]=4 6116 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,1,1|1,1,0]=4 6117 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,1,1|1,1,0]=4 6118 B13R1.643 C=C(C)CNc1cccc(c1)OC 34a_100000210024_100000748629 [0,0,0,0,0,2|2,0,0]=4 6119 B13R1.643 C=C(C)COc1cccc(c1)OC 34a_100000211255_100000748629 [0,0,0,0,0,2|2,0,0]=4 6120 B13R1.643 C=C(C)COc1cccc(c1)OC 7a_100000211255_100000748629 [0,0,0,0,0,2|2,0,0]=4 6121 B13R1.643 C=C(C)CSc1cccc(c1)OC 62a_100000748629_100000170001 [0,0,0,0,0,2|2,0,0]=4 6122 B13R1.643 C=C(F)CNc1cccc(c1)OC 34a_100000210024_100009893438 [0,0,0,0,0,2|2,0,0]=4 6123 B13R1.643 C=C(F)COc1cccc(c1)OC 34a_100000211255_100009893438 [0,0,0,0,0,2|2,0,0]=4 6124 B13R1.643 C=C(F)COc1cccc(c1)OC 7a_100000211255_100000042424 [0,0,0,0,0,2|2,0,0]=4 6125 B13R1.643 C=C(F)CSc1cccc(c1)OC 62a_100000042424_100000170001 [0,0,0,0,0,2|2,0,0]=4 6126 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [0,0,0,0,0,2|1,1,0]=4 6127 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [0,0,0,0,0,2|1,1,0]=4 6128 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [0,0,0,0,0,2|1,1,0]=4 6129 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [0,0,0,0,0,2|1,1,0]=4 6130 B13R1.643 CC(=O)NCc1cccc(c1)S[13CH3] 62a_100000766983_200025704644 [0,0,0,0,0,2|1,1,0]=4 6131 B13R1.643 CC(=O)NCc1cccc(c1)S[13CH3] 62a_200025704644_100000766983 [0,0,0,0,0,2|1,1,0]=4 6132 B13R1.643 CCc1cccc(c1)NCC(=O)N 2230a_100000211250_100000747473 [0,0,0,0,0,2|2,0,0]=4 6133 B13R1.643 CCc1cccc(c1)NCC(=O)N 34a_100000211250_100000187820 [0,0,0,0,0,2|2,0,0]=4 6134 B13R1.643 CCc1cccc(c1)NCC(=O)N 7a_100000211250_100000187820 [0,0,0,0,0,2|2,0,0]=4 6135 B13R1.643 CCc1cccc(c1)NCC(=O)[O-] 34a_100000211250_100020667443 [0,0,0,0,0,2|1,0,1]=4 6136 B13R1.643 CCc1cccc(c1)OCC(=O)N 34a_100000211550_100000187820 [0,0,0,0,0,2|2,0,0]=4 6137 B13R1.643 CCc1cccc(c1)OCC(=O)N 7a_100000211550_100000187820 [0,0,0,0,0,2|2,0,0]=4 6138 B13R1.643 CCc1cccc(c1)OCC(=O)[O-] 34a_100000211550_100020667443 [0,0,0,0,0,2|1,0,1]=4 6139 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100000747473_100011263222 [0,0,0,0,0,2|2,0,0]=4 6140 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100011263222_100000747473 [0,0,0,0,0,2|2,0,0]=4 6141 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100011263222_100020667443 [0,0,0,0,0,2|1,0,1]=4 6142 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011263222 [0,0,0,0,0,2|1,0,1]=4 6143 B13R1.643 CNc1cccc(c1)OCC(=O)N 34a_100000756613_100000187820 [0,0,0,0,0,2|2,0,0]=4 6144 B13R1.643 CNc1cccc(c1)OCC(=O)N 7a_100000756613_100000187820 [0,0,0,0,0,2|2,0,0]=4 6145 B13R1.643 CNc1cccc(c1)OCC(=O)[O-] 34a_100000756613_100020667443 [0,0,0,0,0,2|1,0,1]=4 6146 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000219648_100000747473 [0,0,0,0,0,2|2,0,0]=4 6147 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000747473_100000219648 [0,0,0,0,0,2|2,0,0]=4 6148 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100000219648_100020667443 [0,0,0,0,0,2|1,0,1]=4 6149 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000219648 [0,0,0,0,0,2|1,0,1]=4 6150 B13R1.643 COc1cc(ccn1)CNC(=O)C 11a_100102525109_100015343762 [0,0,0,0,0,2|2,0,0]=4 6151 B13R1.643 COc1cc(ccn1)CNC(=O)C 1626a_100102525109_100015343762 [0,0,0,0,0,2|2,0,0]=4 6152 B13R1.643 COc1cc(ccn1)CNC(=O)C 240690a_100102525109_100015343762 [0,0,0,0,0,2|2,0,0]=4 6153 B13R1.643 COc1cc(ccn1)CNC(=O)C 527a_100102525109_100103153847 [0,0,0,0,0,2|2,0,0]=4 6154 B13R1.643 COc1cc(ccn1)OCC(=O)N 34a_100012181050_100000187820 [0,0,0,0,0,2|2,0,0]=4 6155 B13R1.643 COc1cc(ccn1)OCC(=O)[O-] 34a_100012181050_100020667443 [0,0,0,0,0,2|1,0,1]=4 6156 B13R1.643 COc1cc(ccn1)SCC(=O)N 62a_100000117307_100000747473 [0,0,0,0,0,2|2,0,0]=4 6157 B13R1.643 COc1cc(ccn1)SCC(=O)N 62a_100000747473_100000117307 [0,0,0,0,0,2|2,0,0]=4 6158 B13R1.643 COc1cc(ccn1)SCC(=O)[O-] 62a_100000117307_100020667443 [0,0,0,0,0,2|1,0,1]=4 6159 B13R1.643 COc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000117307 [0,0,0,0,0,2|1,0,1]=4 6160 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [0,0,0,0,0,2|1,0,1]=4 6161 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [0,0,0,0,0,2|1,0,0]=3 6162 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [0,0,0,0,0,2|1,0,0]=3 6163 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [0,0,0,0,0,2|1,0,0]=3 6164 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [0,0,0,0,0,2|1,0,0]=3 6165 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [0,0,0,0,0,2|1,0,0]=3 6166 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [0,0,0,0,0,2|1,0,0]=3 6167 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [0,0,0,0,0,2|1,0,0]=3 6168 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [0,0,0,0,0,2|1,0,0]=3 6169 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [0,0,0,0,0,2|0,0,1]=3 6170 B13R1.643 COc1cccc(c1)NCC(C)O 34a_100000210024_100011218427 [0,0,0,0,0,2|1,0,1]=4 6171 B13R1.643 COc1cccc(c1)NC[C@@H](C)O 34a_100000210024_100009817552 [0,0,0,0,0,2|1,0,1]=4 6172 B13R1.643 COc1cccc(c1)NC[N+](=O)[O-] 34a_100000210024_100000761209 [0,0,0,0,0,2|1,0,1]=4 6173 B13R1.643 COc1cccc(c1)NNC(=O)C 22a_100000722927_100000070787 [0,0,0,0,0,2|1,0,0]=3 6174 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [0,0,0,0,0,2|1,0,0]=3 6175 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [0,0,0,0,0,2|1,0,0]=3 6176 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [0,0,0,0,0,2|1,0,0]=3 6177 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [0,0,0,0,0,2|1,0,0]=3 6178 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [0,0,0,0,0,2|0,0,1]=3 6179 B13R1.643 COc1cccc(c1)OCC(C)O 34a_100000211255_100011218427 [0,0,0,0,0,2|1,0,1]=4 6180 B13R1.643 COc1cccc(c1)OCC(C)O 7a_100000211255_100011218427 [0,0,0,0,0,2|1,0,1]=4 6181 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 34a_100000211255_100009817552 [0,0,0,0,0,2|1,0,1]=4 6182 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 7a_100000211255_100009817552 [0,0,0,0,0,2|1,0,1]=4 6183 B13R1.643 COc1cccc(c1)OC[N+](=O)[O-] 34a_100000211255_100000761209 [0,0,0,0,0,2|1,0,1]=4 6184 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [0,0,0,0,0,2|1,0,0]=3 6185 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [0,0,0,0,0,2|1,0,0]=3 6186 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [0,0,0,0,0,2|1,0,0]=3 6187 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [0,0,0,0,0,2|0,0,1]=3 6188 B13R1.643 COc1cccc(c1)SCC(C)O 62a_100011218427_100000170001 [0,0,0,0,0,2|1,0,1]=4 6189 B13R1.643 COc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100000170001 [0,0,0,0,0,2|1,0,1]=4 6190 B13R1.643 COc1cccc(n1)CNC(=O)C 11a_100000746380_100015343762 [0,0,0,0,0,2|2,0,0]=4 6191 B13R1.643 COc1cccc(n1)CNC(=O)C 1626a_100000746380_100015343762 [0,0,0,0,0,2|2,0,0]=4 6192 B13R1.643 COc1cccc(n1)CNC(=O)C 240690a_100000746380_100015343762 [0,0,0,0,0,2|2,0,0]=4 6193 B13R1.643 COc1cccc(n1)CNC(=O)C 527a_100000746380_100103153847 [0,0,0,0,0,2|2,0,0]=4 6194 B13R1.643 COc1cccc(n1)NNC(=O)C 22a_100000698482_100000070787 [0,0,0,0,0,2|2,0,0]=4 6195 B13R1.643 COc1cccc(n1)SCC(=O)N 62a_100000747473_100000760917 [0,0,0,0,0,2|2,0,0]=4 6196 B13R1.643 COc1cccc(n1)SCC(=O)N 62a_100000760917_100000747473 [0,0,0,0,0,2|2,0,0]=4 6197 B13R1.643 COc1cccc(n1)SCC(=O)[O-] 62a_100000760917_100020667443 [0,0,0,0,0,2|1,0,1]=4 6198 B13R1.643 COc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000760917 [0,0,0,0,0,2|1,0,1]=4 6199 B13R1.643 COc1ccnc(c1)CNC(=O)C 11a_100000706253_100015343762 [0,0,0,0,0,2|2,0,0]=4 6200 B13R1.643 COc1ccnc(c1)CNC(=O)C 1626a_100000706253_100015343762 [0,0,0,0,0,2|2,0,0]=4 6201 B13R1.643 COc1ccnc(c1)CNC(=O)C 240690a_100000706253_100015343762 [0,0,0,0,0,2|2,0,0]=4 6202 B13R1.643 COc1ccnc(c1)CNC(=O)C 527a_100000706253_100103153847 [0,0,0,0,0,2|2,0,0]=4 6203 B13R1.643 COc1ccnc(c1)SCC(=O)N 62a_100000747473_100011216251 [0,0,0,0,0,2|2,0,0]=4 6204 B13R1.643 COc1ccnc(c1)SCC(=O)N 62a_100009817693_100000747473 [0,0,0,0,0,2|2,0,0]=4 6205 B13R1.643 COc1ccnc(c1)SCC(=O)[O-] 62a_100009817693_100020667443 [0,0,0,0,0,2|1,0,1]=4 6206 B13R1.643 COc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100011216251 [0,0,0,0,0,2|1,0,1]=4 6207 B13R1.643 COc1cncc(c1)CNC(=O)C 11a_100020589029_100015343762 [0,0,0,0,0,2|2,0,0]=4 6208 B13R1.643 COc1cncc(c1)CNC(=O)C 240690a_100020589029_100015343762 [0,0,0,0,0,2|2,0,0]=4 6209 B13R1.643 COc1cncc(c1)CNC(=O)C 527a_100020589029_100103153847 [0,0,0,0,0,2|2,0,0]=4 6210 B13R1.643 COc1cncc(c1)OCC(=O)N 34a_100000084572_100000187820 [0,0,0,0,0,2|2,0,0]=4 6211 B13R1.643 COc1cncc(c1)OCC(=O)N 7a_100000084572_100000187820 [0,0,0,0,0,2|2,0,0]=4 6212 B13R1.643 COc1cncc(c1)OCC(=O)[O-] 34a_100000084572_100020667443 [0,0,0,0,0,2|1,0,1]=4 6213 B13R1.643 COc1cncc(c1)SCC(=O)N 62a_100000050176_100000747473 [0,0,0,0,0,2|2,0,0]=4 6214 B13R1.643 COc1cncc(c1)SCC(=O)N 62a_100000747473_100000050176 [0,0,0,0,0,2|2,0,0]=4 6215 B13R1.643 COc1cncc(c1)SCC(=O)[O-] 62a_100000050176_100020667443 [0,0,0,0,0,2|1,0,1]=4 6216 B13R1.643 COc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000050176 [0,0,0,0,0,2|1,0,1]=4 6217 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [0,0,0,0,0,2|1,1,0]=4 6218 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [0,0,0,0,0,2|1,1,0]=4 6219 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [0,0,0,0,0,2|1,1,0]=4 6220 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [0,0,0,0,0,2|1,1,0]=4 6221 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [0,0,0,0,0,2|1,1,0]=4 6222 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [0,0,0,0,0,2|1,1,0]=4 6223 B13R1.643 CSc1cccc(c1)CNC(=O)C 62a_100000766983_200000210301 [0,0,0,0,0,2|1,1,0]=4 6224 B13R1.643 CSc1cccc(c1)CNC(=O)C 62a_200000210301_100000766983 [0,0,0,0,0,2|1,1,0]=4 6225 B13R1.643 CSc1cccc(c1)NCC(=O)N 2230a_100000210049_100000747473 [0,0,0,0,0,2|1,1,0]=4 6226 B13R1.643 CSc1cccc(c1)NCC(=O)N 34a_100000210049_100000187820 [0,0,0,0,0,2|1,1,0]=4 6227 B13R1.643 CSc1cccc(c1)NCC(=O)[O-] 34a_100000210049_100020667443 [0,0,0,0,0,2|0,1,1]=4 6228 B13R1.643 CSc1cccc(c1)OCC(=O)N 34a_100011265683_100000187820 [0,0,0,0,0,2|1,1,0]=4 6229 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000150604_200000210301 [0,0,0,0,0,2|1,1,0]=4 6230 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000210301_200000150604 [0,0,0,0,0,2|1,1,0]=4 6231 B13R1.643 CSc1cccc(c1)OCC(=O)N 7a_100011265683_100000187820 [0,0,0,0,0,2|1,1,0]=4 6232 B13R1.643 CSc1cccc(c1)OCC(=O)[O-] 34a_100011265683_100020667443 [0,0,0,0,0,2|0,1,1]=4 6233 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100000747473_100011215954 [0,0,0,0,0,2|1,1,0]=4 6234 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100011215954_100000747473 [0,0,0,0,0,2|1,1,0]=4 6235 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100011215954_100020667443 [0,0,0,0,0,2|0,1,1]=4 6236 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215954 [0,0,0,0,0,2|0,1,1]=4 6237 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [0,0,0,0,0,2|1,1,0]=4 6238 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [0,0,0,0,0,2|1,1,0]=4 6239 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200000150604_200025704644 [0,0,0,0,0,2|1,1,0]=4 6240 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200025704644_200000150604 [0,0,0,0,0,2|1,1,0]=4