0 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 CM14093 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.24 c1cc2cnccc2cc1F CM10586 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N CM10627 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.1019 COc1cc2cccnc2c(c1)Cl CM10082 [0,1,0,0,0,0|0,0,0]=1 8 B14R2.2332 COc1ccc2cc(ccc2c1)Br CM14460 [0,1,0,0,0,0|1,0,0]=2 9 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N CM10599 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.44 COc1cc2cn[nH]c2cn1 CM10807 [0,0,0,0,1,0|2,0,1]=4 11 B12R2.44 c1cc(cc2c1cc[nH]2)C#N CM14079 [0,0,0,0,1,0|3,0,0]=4 12 B12R2.44 c1cc(cc2c1cco2)C#N CM10742 [0,0,0,0,1,0|3,0,0]=4 13 B12R2.44 c1cc(cc2c1cco2)C=O CM10731 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.44 c1cc2c(cco2)cc1C#N CM10753 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.44 c1cc2c(cco2)cc1C=O CM10754 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.279 COc1ccc(c(c1)Br)C=O CM11856 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.279 COc1ccc(c(c1)Cl)C=O CM10194 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.279 COc1ccc(c(c1)F)C=O CM11960 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.280 COc1ccc(c(c1)C=O)Cl CM11889 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.280 COc1ccc(c(c1)C=O)F CM11961 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.280 Cc1ccc(cc1C=O)OC CM12000 [1,0,1,0,0,0|1,0,1]=4 22 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [2,0,0,0,0,0|1,0,0]=3 23 B11R2.20 c1ccc2cnccc2c1 CM14380 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl CM13579 [0,1,1,0,0,0|2,0,0]=4 25 B13R1.15 COC(=O)C=Cc1cccc(c1)Br CM13574 [0,1,1,0,0,0|2,0,0]=4 26 B13R2.32 c1cc2c(c(c1N)Br)nccn2 CM14407 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [1,1,0,0,0,0|2,0,0]=4 28 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CM10300 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 CM10276 [1,1,0,0,0,0|1,0,0]=3 30 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [1,1,0,0,0,0|2,0,0]=4 31 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br CM10592 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)N CM10291 [1,1,0,0,0,0|1,0,1]=4 33 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [1,1,0,0,0,0|1,0,0]=3 34 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 CM13588 [0,1,0,0,1,0|2,0,0]=4 37 B13R2.654 COc1cc2ccoc2c(c1)Br CM10733 [0,1,0,0,1,0|1,0,0]=3 38 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC CM13615 [0,1,0,0,1,0|0,0,1]=3 39 B13R2.2130 COc1ccc2c(c1)CCC2=O CM14360 [0,1,0,0,1,0|0,0,2]=4 40 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 CM13629 [0,2,0,0,0,0|1,0,1]=4 41 B15R2.4780 COc1ccc2cc(ccc2c1)C=O CM14461 [0,2,0,0,0,0|1,0,0]=3 42 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,0,0,0,1,0|1,0,0]=3 43 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [1,0,0,0,1,0|1,0,0]=3 44 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,0,0,0,1,0|2,0,0]=4 45 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,1,0|2,0,0]=4 46 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,1,0|1,0,0]=3 47 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,0,0,0,1,0|2,0,0]=4 48 B11R2.36 c1cc2c(cc1N)scn2 CM14358 [1,0,0,0,1,0|2,0,0]=4 49 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,0,0,0,1,0|1,0,1]=4 50 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,0,0,0,1,0|2,0,0]=4 51 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,0,1,0|2,0,0]=4 52 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,0,1,0|2,0,0]=4 53 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [1,0,0,0,1,0|2,0,0]=4