0 B10R1.61 CC(=C)c1ccncc1Br DA-45719 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC(c1ccccc1N)N DA-28843 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 CN(C)c1ccccc1N DA-48516 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 CS(=O)c1ccccc1N DA-27649 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 c1c(c(cnn1)O)C(=O)O DA-37308 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 c1cc(c(=O)oc1)C(=O)Cl DA-25732 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.61 c1cc(c(nc1)C(=N)N)O DA-25541 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.15 CSc1ccccc1[Zn+] DA-35007 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 Cc1ccccc1CI DA-30617 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.15 c1ccc(c(c1)CI)Cl DA-29576 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.15 c1cncc(c1O)NN DA-23580 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.53 C=Cc1cccnc1C(=O)O DA-23202 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.53 CC(C)c1ccccc1CO DA-32102 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.53 CCc1cccnc1C(=O)O DA-23623 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.53 CNc1cnccc1C(=O)O DA-24866 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.53 COc1c(cccn1)C(=N)N DA-26033 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.53 COc1c(cncn1)C(=O)O DA-23099 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.53 COc1ccccc1C(=C)I DA-31749 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.53 COc1cccnc1C(=O)O DA-23425 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.53 c1cc(c(nc1)CBr)C(=O)O DA-26741 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.53 c1cnc(c(n1)CO)C(=O)N DA-24900 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 c1cncc(c1C(=O)O)C#N DA-48066 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.156 CC(c1c(cccc1Br)Cl)O DA-31468 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.156 Cc1cccc(c1C(C)O)Br DA-31467 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl DA-26756 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.156 c1cc(c(c(c1)N)C(=O)N)N DA-41658 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl DA-44533 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.159 CC(=O)c1cccc(c1Br)Cl DA-31497 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.159 CC(=O)c1cccc(c1Br)O DA-31496 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.159 CC(=O)c1cccc(c1O)Br DA-31743 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.159 CC(c1cccc(c1O)F)O DA-41458 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.159 Cc1c(cccc1Br)C(=O)C DA-31247 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.159 Cc1cccc(c1Br)C(=O)C DA-31493 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.159 Cn1cncc(c1=O)C(=O)O DA-30160 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.159 c1[nH]c(=O)c(c(n1)C(=O)O)Br DA-37928 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.159 c1c(c(c(cn1)Br)O)C(=O)O DA-37743 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.159 c1c(c(c(cn1)N)N)C(=O)N DA-21996 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.159 c1c[nH]c(=O)c(c1C(=O)Cl)O DA-30315 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.159 c1c[nH]c(=O)c(c1C(=O)O)O DA-30316 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)N DA-24063 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N DA-24052 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)Cl DA-23852 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N DA-41634 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.159 c1cnc(c(c1C(=O)O)F)Br DA-28949 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O DA-36476 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.166 Cc1cc(=O)c(n[nH]1)C(=O)O DA-30223 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.166 Cc1cc(c(cn1)C(=O)Cl)Cl DA-39565 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 Cc1cc(cnc1C(=O)N)Br DA-37764 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.166 Cc1cc(cnc1C(=O)N)Cl DA-46645 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.166 Cc1cc(ncc1C(=O)O)Br DA-36426 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.166 Cc1ccc(c(n1)C)C(=O)C DA-31522 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.166 c1c(c(=O)[nH]c(=S)[nH]1)C(=O)O DA-30402 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl DA-42951 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N DA-26570 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F DA-31735 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.167 CC(=O)c1cc(ccc1Cl)Br DA-48073 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.167 CC(=O)c1cc(ncc1F)Br DA-31472 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.167 CC(c1cc(ccc1Br)F)O DA-31471 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.167 CC(c1cc(ccc1Cl)Br)O DA-41450 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O DA-26774 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.167 Cc1ccc(c(n1)C(=O)O)F DA-23601 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.167 Cc1ccc(c(n1)C(=O)O)N DA-25576 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.167 Cc1ccc(cc1C(=O)C)Br DA-30870 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.167 Cc1ccc(cc1C(=O)Cl)Cl DA-37555 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.167 Cc1ccc(cc1C(=O)N)Br DA-37814 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.167 Cc1ccc(nc1C(=O)[O-])Cl DA-44120 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Br DA-41439 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.167 c1cc(c(cc1Br)C(=S)N)O DA-38922 [0,1,0,0,0,0|1,1,0]=3 77 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])I DA-39741 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl DA-26469 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])Br DA-29613 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])I DA-39301 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.222 CNC(=O)c1cccnc1Cl DA-26356 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.222 CNC(=O)c1ccncc1N DA-24139 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.222 CNC(=O)c1cnccc1N DA-21455 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.222 Cc1c(cccn1)C(=O)CBr DA-26975 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.222 Cc1ccccc1C(C=C)O DA-29126 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.222 Cc1cccnc1C(=O)NN DA-23314 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.222 Cc1ccncc1C(=O)CBr DA-26959 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.222 Cc1ccncc1C(=O)NN DA-39064 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.222 c1ccc(c(c1)C(=O)CO)Cl DA-31414 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.222 c1ccc(c(c1)C(CN)O)Cl DA-43120 [0,1,0,0,0,0|2,0,1]=4 91 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.1 c1cc2c(=O)[nH]oc2nc1 DA-33459 [0,0,0,1,0,0|2,0,0]=3 93 B11R2.1 c1cc2c(=O)[nH]sc2nc1 DA-33461 [0,0,0,1,0,0|2,1,0]=4 94 B11R2.1 c1cc2c(c(no2)N)nc1 DA-33460 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.1 c1ccc2c(c1)c([nH]n2)N DA-26181 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.41 CC(=O)c1ccsc1Br DA-31492 [0,0,0,0,1,0|3,0,0]=4 97 B9R1.41 c1[nH]c(c(n1)C(=O)O)Br DA-37925 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.41 c1[nH]c(c(n1)C(=O)O)Cl DA-37625 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.41 c1c(c(no1)C(=O)O)O DA-39350 [0,0,0,0,1,0|2,0,0]=3 100 B9R1.41 c1c(c(ns1)C(=O)O)N DA-41553 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.41 c1c[nH]c(c1Br)C(=O)O DA-24076 [0,0,0,0,1,0|2,0,0]=3 102 B9R1.41 c1c[nH]c(c1Cl)C(=O)O DA-23866 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.41 c1coc(c1C(=O)Cl)I DA-28917 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.41 c1coc(c1C(=O)O)Cl DA-26661 [0,0,0,0,1,0|2,0,0]=3 105 B9R1.41 c1coc(c1C(=O)O)I DA-28916 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.41 c1csc(c1C(=O)O)I DA-26099 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [0,0,0,0,0,1|2,0,0]=3 108 B11R1.86 CC(=O)Oc1cnccc1I DA-24380 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.86 Cc1ccccc1NC(=N)C DA-42654 [0,0,0,0,0,1|3,0,0]=4 110 B8R1.5 c1c[nH]cc(c1=O)N DA-24303 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.5 c1cocc(c1=O)O DA-23558 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.15 CC(c1ccccc1)ON DA-42022 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.15 COC(=N)c1cccnc1 DA-42038 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.113 c1c(cnnc1Cl)C(=O)O DA-36205 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.113 c1cnc(cc1C(=O)Cl)Br DA-26745 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.2 CCc1cccc(c1O)F DA-43087 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.2 Cn1cccc(c1=O)C=O DA-41346 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.2 c1c(c(c(cn1)F)Cl)C=O DA-39609 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.2 c1cc(c(c(c1)Br)O)C#N DA-46253 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.2 c1cc(c(c(c1)Cl)Br)CO DA-26902 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.2 c1cc(c(c(c1)I)F)CO DA-42850 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.4 c1cc(c(nc1)Br)CC=O DA-26888 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.20 CNc1ccccc1CO DA-42883 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.20 COc1cnccc1CO DA-48332 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.20 c1cncc(c1C#N)C=O DA-23590 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.25 Cc1cc(ccc1C=O)I DA-39309 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.25 Cc1cc(cnc1C=O)Cl DA-37524 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.25 c1c(c(cnc1Cl)C=O)N DA-21249 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.25 c1cc(c(cc1Cl)O)CN DA-27914 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.25 c1cc(c(cc1O)F)CO DA-40007 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.30 CCc1cc(ccc1O)Br DA-39939 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.30 Cc1ccc(c(c1)CO)Br DA-26775 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.30 Cc1ccc(cc1C=O)O DA-37314 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.30 Cc1ccc(cc1CO)Br DA-37813 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.30 Cc1ccc(cc1CO)I DA-46553 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.30 Cc1ccc(nc1C=O)Cl DA-36303 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.30 c1cc(c(cc1Cl)NO)Cl DA-27216 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.30 c1cc(c(cc1I)C#N)O DA-26120 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.30 c1cc(c(cc1I)C=O)Br DA-26784 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.30 c1cc(c(cc1I)C=O)Cl DA-26463 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.30 c1cc(c(cc1I)CO)Br DA-26783 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.30 c1cc(c(cc1I)CO)Cl DA-26462 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.30 c1cc(c(cc1I)CO)F DA-42442 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.30 c1cc(c(cc1N)CO)Br DA-38046 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.30 c1cc(c(cc1N)CO)O DA-38038 [1,1,0,0,0,0|0,0,1]=3 157 B10R1.30 c1cc(c(cc1O)CO)Br DA-28941 [1,1,0,0,0,0|1,0,1]=4 158 B10R1.245 CCc1c(cccc1Br)O DA-24057 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.245 CCc1c(cccc1Cl)O DA-23854 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.245 Cc1c(c(ccn1)Cl)C=O DA-39675 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.245 Cc1cccc(c1C=O)Br DA-43509 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.245 c1c[nH]c(=O)c(c1I)C=O DA-30312 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.245 c1cc(c(c(c1)Cl)CO)O DA-26418 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.245 c1cnc(c(c1Cl)C=O)Br DA-26855 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.39 CCc1ccoc1C(=O)O DA-23646 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.59 Cc1cc(sc1C(=O)O)I DA-37274 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.59 c1c(c(oc1Cl)C(=O)O)Cl DA-24633 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O DA-37856 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.149 COC(=O)c1c(cc[nH]1)Br DA-32727 [0,1,0,0,1,0|2,0,0]=4 170 B10R1.149 COC(=O)c1ccsc1Cl DA-32989 [0,1,0,0,1,0|2,0,0]=4 171 B10R1.149 Cc1cc[nH]c1C(=O)OC DA-32671 [0,1,0,0,1,0|2,0,0]=4 172 B10R1.149 Cc1cscc1C(=O)OC DA-32435 [0,1,0,0,1,0|2,0,0]=4 173 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.194 Cn1c(ccc1Br)C(=O)O DA-37918 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.127 Cc1ccc(c(c1)CC(=O)N)Cl DA-32118 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.224 Cn1c(cccc1=O)CC(=O)O DA-30161 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.224 c1c[nH]c(=O)c(c1CC(=O)O)N DA-24342 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O DA-21511 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.233 Cc1cc(ccc1CC(=O)O)Br DA-39918 [0,1,0,0,0,1|1,0,0]=3 180 B12R1.233 Cc1cc(ccc1NC(=O)C)F DA-42796 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.371 COC(=O)Nc1ccccc1Cl DA-43303 [0,1,0,0,0,1|1,0,0]=3 182 B12R1.46 COc1ccc(cc1C(=O)Cl)Br DA-37821 [0,2,0,0,0,0|1,0,0]=3 183 B12R1.46 COc1ccc(cc1C(=O)N)Br DA-37822 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.46 Cc1ccc(c(n1)C(=O)O)OC DA-23436 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.46 c1cc(c(cc1Br)C(=O)O)C=O DA-42353 [0,2,0,0,0,0|0,0,1]=3 186 B12R1.57 C=Cc1cc(cnc1C(=O)O)Cl DA-37533 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.57 CC(=O)c1ccc(cc1OC)Br DA-31739 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.57 CC(=O)c1ccc(nc1OC)Br DA-46206 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.57 CCc1cc(ccc1C(=O)O)Br DA-39942 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.57 CNc1cc(ccc1C(=O)O)Br DA-39973 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.57 CNc1cc(ccc1C(=O)O)N DA-21478 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.57 COc1c(ccc(n1)Cl)C(=O)N DA-36321 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.57 COc1cc(ccc1C(=O)Cl)Br DA-42214 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.57 COc1cc(ccc1C(=O)N)Br DA-39924 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.57 COc1cc(cnc1C(=O)O)Cl DA-46646 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.57 Cc1ccc(c(n1)OC)C(=O)O DA-25986 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.57 c1cc(c(cc1Br)C=O)C(=O)O DA-39935 [0,2,0,0,0,0|0,0,1]=3 198 B12R1.77 CCc1cccnc1C(=O)OC DA-32690 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.77 COC(=O)c1c(cccn1)C=C DA-32655 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.77 COc1ccccc1C(=N)NO DA-41394 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.77 COc1ccccc1C(C#N)O DA-26152 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.87 COc1c(cccc1Br)C(=O)N DA-24051 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.87 COc1c(cccc1F)C(=O)N DA-40986 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.261 CC(=O)c1cccnc1C(=O)O DA-24371 [0,2,0,0,0,0|1,0,1]=4 205 B12R1.261 CC(C)c1cccnc1C(=O)O DA-23482 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.261 CS(=O)c1ccccc1C(=O)O DA-27648 [0,2,0,0,0,0|0,0,1]=3 207 B12R1.283 c1ccc(c(c1)CCO)C(=O)O DA-28621 [0,2,0,0,0,0|0,0,0]=2 208 B12R1.128 c1cc(c(cc1Br)S(=O)(=O)O)Cl DA-37851 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.894 Cc1c(ccc(c1C(=O)O)F)Br DA-44933 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.894 c1cc(c(c(c1Cl)N)C(=O)O)Br DA-45911 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.894 c1cc(c(c(c1N)Cl)C(=O)O)Cl DA-24320 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.894 c1cc(c(c(c1N)O)C(=O)N)Cl DA-24205 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.1000 Cc1cc(nc(c1C(=O)O)C)Cl DA-36969 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C DA-48030 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.1000 c1c(c(c(nc1Cl)Cl)C(=O)O)N DA-21470 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br DA-27538 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Br DA-39957 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Br)Cl DA-26865 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.3441 Cc1c(c(ccn1)Cl)C(=O)OC DA-32474 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.3441 Cc1cccc(c1C(=O)OC)Cl DA-39979 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.3441 Cc1ccnc(c1C(=O)OC)Br DA-33014 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.24 COC(=O)c1ccnc(c1F)Br DA-33017 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.24 COC(=O)c1ccnc(c1N)Cl DA-32780 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.24 COC(=O)c1cncc(c1O)Br DA-32351 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.24 Cc1c(cccc1Br)C(=O)NC DA-23913 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.24 Cc1c(cccc1F)C(=O)OC DA-43140 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.24 Cc1c(cccc1O)C(=N)NO DA-46562 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.440 CC(=O)c1cccc(c1Br)OC DA-31495 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.440 CCc1cccc(c1Cl)C(=O)O DA-26662 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.440 COc1cccc(c1Cl)C(=O)O DA-26658 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.440 COc1cccc(c1F)C(=O)N DA-43351 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])O)C#N DA-26139 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.511 Cc1cc(c(c(c1)C(=O)O)Br)C DA-41398 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.511 Cc1cc(c(c(c1)Cl)C)C(=O)O DA-23856 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.511 Cc1cc(c(c(c1)N)C)C(=O)O DA-24322 [0,2,0,0,0,0|1,0,0]=3 236 B12R1.511 Cc1cc(c(c(c1)N)N)C(=O)O DA-27453 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.511 c1c(c(c(nc1Cl)Cl)N)C(=O)O DA-25579 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Br DA-42034 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.511 c1c(cc(c(c1C(=O)O)N)N)Cl DA-27454 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])O)I)Cl DA-39690 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.893 CC(=O)c1ccc(c(c1Br)F)Cl DA-47532 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)O DA-31561 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.893 CC(=O)c1ccc(c(c1O)O)I DA-31545 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.893 Cc1c(c(c(cn1)C(=O)O)O)Cl DA-37513 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.893 Cc1c(ccc(c1Br)C(=O)O)F DA-26847 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.893 Cc1c(ccc(c1Cl)C(=O)C)Cl DA-31538 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.893 Cc1c(ccc(c1N)C(=O)O)Cl DA-28956 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)Cl DA-27443 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)O DA-27444 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.893 c1cc(c(c(c1C(=O)N)Br)F)Cl DA-44841 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)Cl DA-43544 [0,2,0,0,0,0|1,0,0]=3 252 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)N DA-21471 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)Br DA-45149 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)Br DA-39965 [0,2,0,0,0,0|0,0,0]=2 255 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])O)Cl)Cl DA-27437 [0,2,0,0,0,0|1,0,1]=4 256 B12R1.232 Cc1cc(c(cc1F)O)[N+](=O)[O-] DA-37355 [0,2,0,0,0,0|1,0,1]=4 257 B12R1.232 Cc1cc(c(cc1I)C(=O)O)Br DA-26785 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.232 c1c(c(cc(c1Br)F)Cl)C(=O)O DA-37854 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.232 c1c(c(cc(c1F)Br)N)C(=O)O DA-45557 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.232 c1c(c(cc(c1I)F)N)C(=O)O DA-28955 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.452 CC(=O)c1ccc(cc1Br)C#N DA-21505 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.452 CC(=O)c1ccc(cc1Br)OC DA-31490 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.452 CCc1ccc(c(c1)O)[N+](=O)[O-] DA-37389 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.452 COc1cc(c(nc1)C(=O)O)Cl DA-46456 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.452 c1cc(c(cc1C#N)N)C(=O)O DA-41800 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.452 c1cc(c(cc1CCl)O)[N+](=O)[O-] DA-38438 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.452 c1cc(c(cc1CO)O)C(=O)O DA-26134 [0,2,0,0,0,0|0,0,0]=2 268 B12R1.1703 CCC(=O)c1ccc(cc1C)Br DA-31081 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br DA-43569 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.1703 COC(=O)c1c(cc(cn1)Br)Cl DA-32354 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.1703 COC(=O)c1c(cc(cn1)O)Cl DA-46643 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.1703 COC(=O)c1ccc(cc1Cl)I DA-33004 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.1703 COC(=O)c1ccc(cc1F)I DA-43315 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.1703 COC(=O)c1ccc(cc1N)O DA-42525 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.1703 COC(=O)c1cnc(cc1N)Cl DA-46647 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.1703 c1cc(c(cc1Br)O)C(=O)NO DA-39810 [0,2,0,0,0,0|0,0,0]=2 277 B12R1.1703 c1cc(c(cc1I)O)C(=O)NO DA-41774 [0,2,0,0,0,0|0,0,0]=2 278 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Br DA-32718 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.354 COC(=O)c1c(ccc(n1)F)Br DA-32717 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.354 COC(=O)c1cc(ccc1F)O DA-32974 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.354 COC(=O)c1cc(cnc1Br)Br DA-33080 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.354 COC(=O)c1cc(ncc1N)N DA-33081 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O DA-26976 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)Br DA-31469 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)C DA-26707 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.354 Cc1ccc(c(c1)C(=O)OC)C DA-33078 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.354 Cc1ccc(c(n1)C(=O)OC)Cl DA-32704 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.354 Cc1ccc(c(n1)C(=O)OC)N DA-32735 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.354 Cc1ccc(cc1C(=O)CCl)Br DA-30872 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.354 Cc1ccc(cc1C(=O)CCl)N DA-30881 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.354 Cc1ccc(cc1C(=O)NC)Br DA-46357 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.453 COc1cc(c(nc1)Cl)C(=O)O DA-26453 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.453 Cc1ccc(cc1C(=O)O)CBr DA-38452 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.308 CCCC(=O)c1ccccc1Br DA-31450 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.308 CCOC(=O)c1c[nH]ccc1=O DA-33849 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.308 CCOC(=O)c1ccc[nH]c1=O DA-34260 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.308 CCOC(=O)c1cccnc1I DA-34286 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.308 CCOC(=O)c1cnccc1Cl DA-33889 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Br DA-25389 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.308 c1ccc(c(c1)C(=O)CC=O)Cl DA-25372 [0,2,0,0,0,0|1,0,1]=4 301 B12R1.308 c1ccc(c(c1)C(=O)CC=O)F DA-25361 [0,2,0,0,0,0|1,0,1]=4 302 B10R1.31 c1c(coc1C=O)C(=O)O DA-37343 [0,0,1,1,0,0|1,0,0]=3 303 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [0,0,0,1,0,1|1,1,0]=4 304 B12R2.202 c1c2c(c(cn1)Cl)[nH]c(=O)o2 DA-35669 [0,0,0,1,0,1|2,0,0]=4 305 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 DA-35630 [0,0,0,1,0,1|2,0,0]=4 306 B12R2.1081 c1ccc2c(c1)COCC2O DA-33516 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.2028 c1ccc2c(c1)C(CC2=O)N DA-24334 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.203 Cc1c[nH]c2c1c(ccc2)O DA-23401 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.203 c1cc2c(c(c1)Br)C(=O)CS2 DA-23130 [0,1,0,1,0,0|1,1,0]=4 310 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)Br DA-24079 [0,1,0,1,0,0|2,0,0]=4 311 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)Cl DA-23872 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.203 c1cc2c(c(c1)O)c(n[nH]2)I DA-23528 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.196 c1cc2c(c(c1)Br)OCC2O DA-35795 [0,1,0,1,0,0|1,0,1]=4 314 B12R2.196 c1cc2c(c(c1)O)OCC2O DA-27405 [0,1,0,1,0,0|1,0,1]=4 315 B12R2.612 Cc1ccc2c(=O)[nH]oc2n1 DA-35985 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.612 c1c(cnc2c1OCC2=O)Cl DA-36252 [0,1,0,1,0,0|2,0,0]=4 317 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 DA-36251 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.612 c1cc2c(cc1O)CNC2=O DA-43043 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.132 Cc1ccc2c(c1)C(=O)OC2 DA-36046 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.132 c1cc2c(cc1Cl)C(CO2)O DA-42089 [0,1,0,1,0,0|1,0,1]=4 321 B12R2.132 c1cc2c(cc1F)c(=O)[nH][nH]2 DA-37366 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.132 c1cc2c(cc1I)C(=O)CO2 DA-38892 [0,1,0,1,0,0|1,0,0]=3 323 B12R2.1 c1ccc2c(c1)c(no2)CO DA-30343 [0,1,0,1,0,0|1,0,0]=3 324 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [0,1,0,1,0,0|0,0,1]=3 325 B8R1.7 C1=CC(=C(Cl)Cl)C=C1 DA-36722 [1,0,0,0,1,0|2,0,0]=4 326 B8R1.11 c1csc(c1O)C=O DA-23565 [1,0,0,0,1,0|1,0,0]=3 327 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)Cl DA-26398 [0,0,0,0,0,2|2,0,0]=4 328 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)O DA-26114 [0,0,0,0,0,2|1,0,0]=3