0 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 c1cc(=O)[nH]c2c1cncc2 CM10284 [1,0,0,0,0,0|2,0,1]=4 3 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 c1cc2cnccc2cc1F CM10586 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N CM10627 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.1019 COc1cc2cccnc2c(c1)Cl CM10082 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.2332 COc1ccc2cc(ccc2c1)Br CM14460 [0,1,0,0,0,0|0,0,0]=1 11 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N CM10599 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.78 COc1ccc(c(c1)C#N)C=O CM10827 [0,0,1,0,0,0|2,0,1]=4 14 B12R2.44 COc1cc2cn[nH]c2cn1 CM10807 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.44 c1cc(cc2c1cc[nH]2)C#N CM14079 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.44 c1cc(cc2c1cco2)C#N CM10742 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.44 c1cc(cc2c1cco2)C=O CM10731 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.44 c1cc2c(cco2)cc1C#N CM10753 [0,0,0,0,1,0|3,0,0]=4 19 B12R2.44 c1cc2c(cco2)cc1C=O CM10754 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.279 COc1ccc(c(c1)Br)C=O CM11856 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.279 COc1ccc(c(c1)Cl)C=O CM10194 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.279 COc1ccc(c(c1)F)C=O CM11960 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.280 COc1ccc(c(c1)C=O)Cl CM11889 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.280 COc1ccc(c(c1)C=O)F CM11961 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.280 Cc1ccc(cc1C=O)OC CM12000 [1,0,1,0,0,0|1,0,1]=4 26 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [2,0,0,0,0,0|2,0,0]=4 27 B11R2.20 c1ccc2cnccc2c1 CM14380 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl CM13579 [0,1,1,0,0,0|1,0,0]=3 29 B13R1.15 COC(=O)C=Cc1cccc(c1)Br CM13574 [0,1,1,0,0,0|1,0,0]=3 30 B13R1.74 CN(C)c1ccc(cc1)C=CC=O CM10034 [0,1,1,0,0,0|2,0,0]=4 31 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [1,1,0,0,0,0|1,0,0]=3 32 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [1,1,0,0,0,0|1,0,0]=3 34 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 CM10276 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br CM10591 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [1,1,0,0,0,0|0,0,0]=2 47 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [1,1,0,0,0,0|0,0,0]=2 49 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 CM13588 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.654 COc1cc2ccoc2c(c1)Br CM10733 [0,1,0,0,1,0|1,0,0]=3 53 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC CM13615 [0,1,0,0,1,0|1,0,0]=3 54 B13R2.2130 COc1ccc2c(c1)CCC2=O CM14360 [0,1,0,0,1,0|0,0,2]=4 55 B15R2.7174 c1cc(cc2c1ccc(c2)O)C(=O)O CM10625 [0,2,0,0,0,0|2,0,0]=4 56 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 CM13629 [0,2,0,0,0,0|2,0,0]=4 57 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=N)N CM14144 [0,2,0,0,0,0|2,0,0]=4 58 B15R2.4780 COc1ccc2cc(ccc2c1)C=O CM14461 [0,2,0,0,0,0|0,0,0]=2 59 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,0,1,0|2,0,0]=4 62 B11R2.10 Cc1cn2ccccc2n1 CM10614 [1,0,0,0,1,0|2,0,0]=4 63 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,0,0,0,1,0|1,0,0]=3 64 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [1,0,0,0,1,0|1,0,0]=3 65 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,0,0,0,1,0|2,0,0]=4 66 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,1,0|2,0,0]=4 67 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,1,0|1,0,0]=3 68 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,0,0,0,1,0|2,0,0]=4 69 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,0,0,0,1,0|2,0,0]=4 70 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,0,0,0,1,0|2,0,0]=4 71 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,0,1,0|2,0,0]=4 72 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [1,0,0,0,1,0|2,0,0]=4