0 B11R1.19 BrC1=CC=C(C=C1)C(F)(F)F ACF010197 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.19 BrC=1C=NC(=NC1)C(C)(C)C ACS017627 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.19 C(C)(C)(C)C1=CC=C(C=C1)O ACS014463 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.19 C(C)(C)(C)C1=CC=C(C=C1)S ACS024248 [0,0,0,0,0,0|0,1,0]=1 4 B11R1.19 CC(C)(C)C1=NC=C(C=N1)[O-] ACS012383 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F ACF014853 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)C ACS024596 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.19 ClC1=CC=C(C=C1)C(F)(F)F ACF014838 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.19 FC(C1=CC=C(C=C1)I)(F)F ACF012434 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.19 FC(C1=CC=C(C=C1)O)(F)F ACF010570 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.19 FC(C1=CC=C(C=C1)S)(F)F ACF014809 [0,0,0,0,0,0|3,1,0]=4 11 B11R1.19 FC1=CC=C(C=C1)C(F)(F)F ACF012415 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.19 FC1=CC=C(C=C1)[Si](C)(C)C ACF017190 [0,0,0,0,0,0|1,1,0]=2 13 B11R1.19 IC1=CC=C(C=C1)C(C)(C)C ACS015044 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.19 NC1=CC=C(C=C1)C(F)(F)F ACF010395 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.19 NC1=CC=C(C=N1)C(C)(C)O ACS023990 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.19 OC1=CC=C(C=C1)S(=O)(=O)F ACF024309 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.19 OC1=NC=C(C=C1)C(F)(F)F ACF010331 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 BrC1=CC=C(C=C1)C(C)=O ACS014490 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 BrC1=CC=C(C=C1)C(F)F ACF014826 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 BrC1=CC=C(C=N1)N(C)C ACS019560 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 BrC=1C=NC(=NC1)C(C)C ACS017433 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 C=C(C)C1=CC=C(C=C1)O ACS017253 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.13 CC(=O)c1ccc(cc1)I ACS015856 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 CC(C)C=1C=CC(=NC1)N ACS023860 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 CC(C)c1ccc(cc1)F ACF016268 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.13 CC(c1ccc(cc1)Cl)N ACS016908 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 CC1=CC=C(C=C1)C(C)=O ACS014585 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.13 CN(C1=CC=C(C=C1)O)C ACS019213 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.13 ClC(C1=CC=C(C=C1)F)Cl ACF014843 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.13 ClC1=CC=C(C=C1)C(C)=O ACS015812 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 ClC1=CC=C(N(C)C)C=C1 ACS010771 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 FC1=CC=C(C=C1)C(C)=O ACF014557 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 FC1=CC=C(C=C1)C(C)Br ACF013491 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.13 FC1=CC=C(C=C1)C(C)O ACF013735 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.13 NC1=CC=C(C=C1)C(C)=O ACS010475 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 OC1=CC=C(C(=O)O)C=C1 ACS013211 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 OC1=CC=C(C(N)=S)C=C1 ACS014085 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.13 OC1=CC=C(C=C1)C(C)=O ACS010478 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.13 [N+](=O)([O-])C1=CC=C(C=C1)O ACS014457 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.28 C(C)(C)(C)C1=CC=CC=C1 ACS015046 [1,0,0,0,0,0|0,0,0]=1 41 B10R1.28 C(C)(C)(C)C1=CC=NC=C1 ACS015254 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.28 C(C)(C)(C1=CC=CC=C1)N ACS024001 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.28 C1(=CC=CC=C1)C(Cl)(Cl)Cl ACS014811 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.28 C1(=CC=CC=C1)C(F)(F)F ACF014812 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.28 C1(=CC=CC=C1)S(=O)(=O)C ACS017202 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.28 N1=C(C=CC=C1)C(C)(C)O ACS020269 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.6 C(C)(C)(C)C1=CC=C(C=C1)OC ACS014724 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 ACS013720 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.6 FC(C1=CC=C(C=C1)OC)(F)F ACF016138 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.6 FC(C1=CC=C(CO)C=C1)(F)F ACF013728 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.23 BrC1=C(C=C(C=C1)C(C)(C)C)F ACF018640 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.23 BrC1=C(C=C(C=C1)C(C)(C)C)O ACS017320 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.23 BrC1=C(C=CC(=C1)C(C)(C)C)O ACS012398 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.23 BrC1=C(C=CC(=C1)C(F)(F)F)O ACF011896 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.23 BrC1=C(N)C=CC(=C1)C(C)(C)C ACS015888 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.23 C(C)(C)(C)C1=CC(=C(C=C1)Cl)Cl ACS018914 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.23 C(C)(C)(C)C1=CC(=C(N)C=C1)Cl ACS018668 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.23 C(C)(C)(C)C1=CC(=C(N)C=C1)I ACS018902 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.23 C(C)(C)(C)C=1C=CC(=C(N)C1)C ACS019218 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.23 CC(C)(C)c1ccc(c(c1)Br)Br ACS016296 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.23 CC1=C(C=CC(=C1)C(C)(C)C)O ACS014452 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.23 ClC1=C(C=CC(=C1)C(F)(F)F)O ACF014398 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.23 FC(C=1C=C(C(=CC1)O)O)(F)F ACF019048 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.23 IC1=C(C=CC(=C1)C(F)(F)F)O ACF016122 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.23 NC1=C(C=CC(=C1)C(F)(F)F)O ACF016055 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.126 BrC=1C=C(C=CC1C(F)(F)F)O ACF017254 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.126 CC=1C=CC(=C(C1)O)C(C)(C)C ACS014453 [0,1,0,0,0,0|1,0,0]=2 68 B12R2.290 ClC1=CC=C(C=C1)C2(CC2)N ACS023764 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.55 BrC1=CC=C(S1)[Si](C)(C)C ACS020378 [0,0,0,0,1,0|2,1,0]=4 70 B12R1.106 ClC1=CC=C(C=C1)OC(C)(C)C ACS014732 [0,0,0,0,0,1|1,0,0]=2 71 B12R1.106 FC(OC1=CC=C(C=C1)O)(F)F ACF012362 [0,0,0,0,0,1|3,0,0]=4 72 B12R1.106 FC(SC1=CC=C(C=C1)O)(F)F ACF012597 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.1 BrC1=CC=C(C=C1)CC ACS010533 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.1 BrC1=CC=C(C=C1)OC ACS014645 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 BrC1=CC=C(CBr)C=C1 ACS011040 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 BrC1=CC=C(CCl)C=C1 ACS010351 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.1 BrC1=CC=C(CN)C=C1 ACS013821 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.1 BrC1=CC=C(CO)C=C1 ACS013673 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 BrC1=CC=C(NC)C=C1 ACS015923 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.1 BrC=1C=CC(=NC1)CC ACS019647 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 C(C)C1=CC=C(C=C1)I ACS010551 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.1 C(C)C1=CC=C(C=C1)O ACS010550 [2,0,0,0,0,0|0,0,0]=2 83 B9R1.1 C(C)C1=CC=C(N)C=C1 ACS012494 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 C(C)C=1C=CC(=NC1)C ACS011356 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.1 CC1=CC=C(CCl)C=C1 ACS013518 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.1 CC1=CC=C(CN)C=C1 ACS016903 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 CCc1ccc(cc1)F ACF012062 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.1 COC1=CC=C(C=C1)O ACS010307 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.1 COC1=CC=C(C=C1)S ACS010968 [2,0,0,0,0,0|1,1,0]=4 90 B9R1.1 COC1=CC=C(C=N1)O ACS019436 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 CSC1=CC=C(C=C1)O ACS011693 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.1 ClC1=CC=C(C=C1)OC ACS014685 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 ClC1=CC=C(CCl)C=C1 ACS013499 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 ClC1=CC=C(NC)C=C1 ACS015946 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 FC1=CC=C(C=C1)OC ACF014707 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 FC1=CC=C(CBr)C=C1 ACF011032 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 FC1=CC=C(CCl)C=C1 ACF013514 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 FC1=CC=C(CO)C=C1 ACF013708 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 FC1=CC=C(NC)C=C1 ACF012585 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 IC1=CC=C(C=C1)OC ACS014715 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 IC1=CC=C(CN)C=C1 ACS013858 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 IC1=CC=C(NC)C=C1 ACS015998 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 NC1=CC=C(CO)C=C1 ACS013666 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 OC1=CC=C(C#N)C=C1 ACS013620 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.1 OC1=CC=C(C=O)C=C1 ACS014274 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.1 OC1=CC=C(CN)C=C1 ACS013857 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.6 BrC(C)C1=CC=CC=C1 ACS013489 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.6 C(C)(=O)C1=CC=CC=C1 ACS014482 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.6 C(C1=CC=CC=C1)(Cl)Cl ACS013523 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.6 C1(=CC=CC=C1)C(C)N ACS024407 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.6 CN(C1=CC=CC=C1)C ACS013954 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.6 CN(C1=CC=NC=C1)C ACS015200 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.6 C[C@@H](c1ccccc1)N ACS010886 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.6 C[C@@H](c1ccccc1)O ACS010971 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.6 C[C@H](c1ccccc1)N ACS010885 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.6 FC(F)C1=CC=CC=C1 ACF014847 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.6 N1=C(C=CC=C1)[C@@H](C)O ACS010823 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.3 C(=C)(C)C1=CC=C(C=C1)OC ACS011963 [1,1,0,0,0,0|0,0,2]=4 119 B11R1.3 C(C)(C)C1=CC=C(C=C1)OC ACS014720 [1,1,0,0,0,0|0,0,0]=2 120 B11R1.3 CN(C1=CC=C(C=O)C=C1)C ACS011106 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.3 COC1=CC=C(C=C1)C(C)=O ACS014581 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.3 COC1=CC=C(N(C)C)C=C1 ACS011816 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.3 C[C@@H](c1ccc(cc1)OC)N ACS011282 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.21 C(C)(C)C=1C=CC(=C(C1)O)C ACS011315 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.21 C(C)(C)C=1C=CC(=C(N)C1)C ACS015999 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.21 FC=1C=C(C=CC1F)C(C)O ACF013734 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.21 FC=1C=C(C=CC1O)C(C)=O ACF014560 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.21 FC=1C=C(N(C)C)C=CC1I ACF018839 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.21 IC1=C(C=C(C=C1)C(C)C)O ACS020568 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.21 OC1=C(C=C(C=C1)C(C)=O)C ACS012618 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.22 BrC1=CC=C(C=C1)C(CO)O ACS018905 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.22 C(C)(CC)C1=CC=C(N)C=C1 ACS016009 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.22 NCC(O)C1=CC=C(C=C1)F ACF024466 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.22 OC1=CC=C(C(=O)OC)C=C1 ACS012858 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.166 BrC1=CC(=C(N(C)C)C=C1)Cl ACS010786 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.166 CC(=O)c1ccc(cc1Cl)O ACS015818 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.166 ClC1=C(C=CC(=C1)Cl)C(C)O ACS013731 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.166 FC1=C(C=CC(=C1)O)C(C)=O ACF014558 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.7 FC(CN)(C1=CC=CC=C1)F ACF022222 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.87 BrC1=C(C=CC=C1)C(C)(F)F ACF023629 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.87 C(C)(C)(C)C1=C(N)C=CC=C1 ACS015935 [1,1,0,0,0,0|0,0,0]=2 142 B11R1.155 BrC1=CC(=CC=C1)C(C)(C)C ACS019007 [1,1,0,0,0,0|0,0,0]=2 143 B11R1.155 C(C)(C)(C)C1=CC(=NC=C1)Cl ACS024540 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.155 C(C)(C)(C)C=1C=C(N)C=CC1 ACS010640 [1,1,0,0,0,0|0,0,0]=2 145 B13R1.38 BrC1=C(C=CC(=C1)C(C)(C)C)OC ACS014680 [0,2,0,0,0,0|0,0,0]=2 146 B13R1.38 C(C)(C)(C)C1=CC(=C(C#N)C=C1)O ACS017321 [0,2,0,0,0,0|1,0,0]=3 147 B13R1.140 C(C)(C)(C)C1=CC=C(C=C1)CCO ACS013754 [0,2,0,0,0,0|0,0,0]=2 148 B13R1.140 C(C)(C)(C)C1=CC=C(C=C1)N=C=S ACS014135 [0,2,0,0,0,0|0,1,0]=3 149 B13R1.140 C(C)(C)(C)C1=CC=C(CC#N)C=C1 ACS013806 [0,2,0,0,0,0|1,0,0]=3 150 B13R1.338 C(C)(C)(C)C1=CC=C(C(=O)O)C=C1 ACS016599 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.50 C(C)(C)(C)C=1C=CC(=C(C=O)C1)O ACS011933 [0,2,0,0,0,0|0,0,0]=2 152 B13R1.50 NC1=C(C#N)C=C(C=C1)C(C)(C)C ACS016663 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.7922 BrC1=C(C(=CC(=C1)C(C)(C)C)Br)O ACS014403 [0,2,0,0,0,0|0,0,0]=2 154 B11R2.34 BrC1=CC=C(C=C1)C2CC2 ACS014883 [1,0,0,1,0,0|1,0,0]=3 155 B11R2.34 BrC1=NC=C(C=C1)C2CC2 ACS018856 [1,0,0,1,0,0|2,0,0]=4 156 B11R2.40 C1(=CC=CC=C1)C2(CC2)N ACS020127 [1,0,0,1,0,0|1,0,0]=3 157 B11R2.40 c1ccnc(c1)C2(CC2)N ACS024025 [1,0,0,1,0,0|2,0,0]=4 158 B13R2.3051 CC1(OC2=C(O1)C=CC(=C2)N)C ACS020183 [0,0,0,1,0,1|2,0,0]=4 159 B13R2.2986 BrC1=CC=C(C=C1)C2(CNC2)F ACF023457 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.2986 FC1=CC=C(C=C1)C2(CCC2)N ACF021538 [0,1,0,1,0,0|2,0,0]=4 161 B13R2.2986 FC1=CC=C(C=C1)C2(CCC2)N ACF021539 [0,1,0,1,0,0|2,0,0]=4 162 B13R2.2986 FC1=CC=C(C=C1)C2(CNC2)O ACF022197 [0,1,0,1,0,0|2,0,0]=4 163 B13R2.3108 FC1=CC=C2C(CNC2=C1)(C)C ACF021720 [0,1,0,1,0,0|1,0,0]=3 164 B11R1.20 BrC1=CC=C(NC(C)C)C=C1 ACS020780 [1,0,0,0,0,1|1,0,0]=3 165 B11R1.20 BrC1=NC=C(C=C1)OC(C)C ACS020817 [1,0,0,0,0,1|2,0,0]=4 166 B11R1.20 C(C)(C)OC1=CC=C(C=C1)O ACS020473 [1,0,0,0,0,1|0,0,0]=2 167 B11R1.20 C(C)(C)OC1=CC=C(N)C=C1 ACS013976 [1,0,0,0,0,1|1,0,0]=3 168 B11R1.20 CC(C)Cc1ccc(cc1)Br ACS016336 [1,0,0,0,0,1|1,0,0]=3 169 B11R1.20 FC(OC1=CC=C(C=C1)O)F ACF014409 [1,0,0,0,0,1|2,0,0]=4 170 B11R1.20 FC1=CC=C(NC(C)C)C=C1 ACF012346 [1,0,0,0,0,1|1,0,0]=3 171 B11R1.509 C(C1=CC=CC=C1)[N+](C)(C)C ACS011079 [1,0,0,0,0,1|1,0,0]=3 172 B13R1.512 BrC1=CC=C(C=C1)C#C[Si](C)(C)C ACS019305 [0,0,0,0,0,2|1,1,0]=4