0 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 BC218977 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.100 Cc1cc2c(cc1Br)cn[nH]2 BC257480 [1,0,0,0,0,0|2,1,0]=4 2 B12R2.100 Cc1cc2cn[nH]c2cc1Br BC257479 [1,0,0,0,0,0|2,1,0]=4 3 B12R2.100 c1c2cn[nH]c2cc(c1Br)Cl BC600287 [1,0,0,0,0,0|1,1,0]=3 4 B12R2.100 c1c2cn[nH]c2cc(c1N)F BC659276 [1,0,0,0,0,0|2,1,0]=4 5 B12R2.100 c1c2cn[nH]c2cc(c1O)Cl BC600285 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)Br BC258470 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F BC675679 [1,0,0,0,0,0|2,1,0]=4 8 B12R2.132 Cc1c2cc(ccc2[nH]n1)O BC649960 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N BC210277 [1,0,0,0,0,0|2,1,0]=4 10 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [1,0,0,0,0,0|1,1,1]=4 11 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.612 c1cc2c(cc1Cl)[nH]nc2Br BC682147 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O BC220174 [0,0,1,0,0,0|2,1,0]=4 15 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O BC227472 [0,0,1,0,0,0|2,0,0]=3 16 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O BC676485 [0,0,1,0,0,0|2,0,0]=3 17 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O BC220227 [0,0,1,0,0,0|2,1,0]=4 18 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl BC677537 [0,0,1,0,0,0|2,0,1]=4 19 B14R2.28472 c1c2c(cc(c1Cl)Br)[nH]cnc2=O BC650719 [0,0,0,0,0,1|1,1,1]=4 20 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl BC677102 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O BC215634 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F BC227458 [1,0,1,0,0,0|0,1,1]=4 23 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl BC683731 [1,0,1,0,0,0|0,1,1]=4 24 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl BC225280 [1,0,1,0,0,0|1,0,1]=4 25 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [1,0,1,0,0,0|1,1,0]=4 28 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.167 B(c1cc(ccc1O)Cl)(O)O BC670614 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.192 c1cc(c(cc1CCO)Cl)Cl BC641562 [1,0,1,0,0,0|1,0,1]=4 31 B11R2.36 c1cc(nc2c1cn[nH]2)Cl BC681968 [2,0,0,0,0,0|2,0,0]=4 32 B11R2.36 c1cc2c(cc1Br)cn[nH]2 BC205731 [2,0,0,0,0,0|1,1,0]=4 33 B11R2.36 c1cc2c(cc1F)cn[nH]2 BC682098 [2,0,0,0,0,0|1,1,0]=4 34 B11R2.36 c1cc2c(cc1I)cn[nH]2 BC657844 [2,0,0,0,0,0|1,1,0]=4 35 B11R2.36 c1cc2c(cc1N)cn[nH]2 BC207407 [2,0,0,0,0,0|2,0,0]=4 36 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [2,0,0,0,0,0|2,0,0]=4 37 B11R2.36 c1cc2c(cco2)cc1Br BC677388 [2,0,0,0,0,0|1,1,0]=4 38 B11R2.36 c1cc2cn[nH]c2cc1Br BC203592 [2,0,0,0,0,0|1,1,0]=4 39 B11R2.36 c1cc2cn[nH]c2cc1F BC682097 [2,0,0,0,0,0|1,1,0]=4 40 B11R2.36 c1cc2cn[nH]c2cc1I BC244510 [2,0,0,0,0,0|1,1,0]=4 41 B11R2.36 c1cc2cn[nH]c2cc1N BC207405 [2,0,0,0,0,0|2,0,0]=4 42 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [2,0,0,0,0,0|2,0,0]=4 44 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [2,0,0,0,0,0|1,1,0]=4 46 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [2,0,0,0,0,0|1,1,0]=4 47 B11R2.1 c1ccc2c(c1)nnn2O BC204387 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.1 c1ccc2c(c1)nnn2O BC675286 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.599 COc1cc2cn[nH]c2cc1Cl BC600286 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.2136 c1cc2c(cc1Cl)c(n[nH]2)C=O BC208487 [1,1,0,0,0,0|1,0,1]=4 51 B13R2.2130 COc1ccc2c(c1)[nH]nc2O BC600083 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.3683 c1cc(cc2c1cc(nn2)Br)Cl BC682165 [1,0,0,0,0,1|2,0,0]=4 53 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)O BC202271 [1,0,0,0,0,1|2,0,0]=4