0 B10R1.172 COc1cccc(c1)CN SZ4 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.172 c1cc(cc(c1)CN)CN TRJ [0,0,0,0,0,0|4,0,0]=4 2 B9R1.2 C[n+]1cccc(c1)CN NNJ [1,0,0,0,0,0|3,0,0]=4 3 B9R1.2 Cc1cccc(c1)C#N 2HT [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 Cc1cccc(c1)CN ZF0 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 c1cc(cc(c1)I)CO IOB [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 c1cc(cc(c1)N)C#N 71G [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 c1cc(cc(c1)N)CN DBP [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,0,0,0,0,0|2,0,0]=3 12 B11R1.266 COc1cccc(c1)C(=O)N 3MB [0,1,0,0,0,0|2,0,0]=3 13 B11R1.267 CCc1cccc(c1O)CC DIE [0,1,0,0,0,0|2,0,0]=3 14 B11R1.267 COc1cccc(c1O)OC 3DM [0,1,0,0,0,0|0,0,0]=1 15 B11R1.280 COc1cc(ccc1O)C=C 4M4 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.280 COc1cc(ccc1O)C=O V55 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.280 COc1cc(ccc1O)OO 4HM [0,1,0,0,0,0|1,0,0]=2 18 B11R1.280 COc1ccc(c(c1)C=O)O 7WQ [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|1,0,1]=4 20 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|1,0,0]=3 21 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|1,0,0]=3 22 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,0]=3 23 B8R1.2 COc1cccnc1 282 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|0,1,0]=3 25 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|2,0,0]=4 31 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 CC1=CC(=S)NC=C1 4H2 [2,0,0,0,0,0|1,1,0]=4 33 B8R1.4 Cc1cccc(c1)O CRS [2,0,0,0,0,0|0,0,0]=2 34 B8R1.4 Cc1cccc(c1)S M3T [2,0,0,0,0,0|0,1,0]=3 35 B8R1.4 Cc1cccc(n1)N 71M [2,0,0,0,0,0|2,0,0]=4 36 B8R1.4 Cc1ccnc(c1)N BVF [2,0,0,0,0,0|2,0,0]=4 37 B8R1.4 c1cc(cc(c1)Br)O B3R [2,0,0,0,0,0|1,0,0]=3 38 B8R1.4 c1cc(cc(c1)Cl)O 3CH [2,0,0,0,0,0|1,0,0]=3 39 B8R1.4 c1cc(cc(c1)O)O RCO [2,0,0,0,0,0|0,0,0]=2 40 B10R1.2 c1cc(c(c(c1)O)O)C=O 23A [1,1,0,0,0,0|2,0,0]=4 41 B10R1.8 COc1cc(cc(c1)O)O 2A7 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.30 COC1=CC(=O)C=CC1=O MCW [1,1,0,0,0,0|0,0,1]=3 43 B10R1.30 COc1cc(ccc1O)Br 3Z7 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.30 c1cc(c(cc1O)C=O)Br 1DW [1,1,0,0,0,0|2,0,0]=4 45 B10R1.113 CC(=O)c1cccc(c1)N 3AO [1,1,0,0,0,0|2,0,0]=4 46 B10R1.113 CC(=O)c1cccc(c1)O 53C [1,1,0,0,0,0|1,0,0]=3 47 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [1,1,0,0,0,0|2,0,0]=4 49 B12R1.235 COC1=CC(=O)C=C(C1=O)OC KIA [0,2,0,0,0,0|0,0,0]=2 50 B12R1.235 COc1cc(cc(c1O)OC)O KIB [0,2,0,0,0,0|0,0,0]=2 51 B12R1.286 CCc1cc(ccc1O)CCN AEH [0,2,0,0,0,0|2,0,0]=4 52 B12R1.286 COc1cc(ccc1O)CC=C EOL [0,2,0,0,0,0|1,0,1]=4 53 B12R1.286 C\C=C\c1ccc(c(c1)OC)O EUG [0,2,0,0,0,0|1,0,0]=3 54 B12R1.286 C\C=C\c1ccc(c(c1)OC)O H7Y [0,2,0,0,0,0|1,0,0]=3 55 B12R1.56 CC(=O)c1ccc(c(c1)OC)O I75 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.56 COc1cc(ccc1O)C(=O)[O-] VNL [0,2,0,0,0,0|2,0,0]=4 57 B12R2.44 COc1ccc2c(c1)[nH]cn2 5OB [0,1,0,1,0,0|1,0,1]=4 58 B12R2.44 COc1ccc2c(c1)cc[nH]2 BZ3 [0,1,0,1,0,0|1,0,1]=4 59 B12R2.44 c1cc2c(cc1C=O)OCO2 5XC [0,1,0,1,0,0|2,0,0]=4 60 B12R2.44 c1cc2c(cc1CN)OCO2 MR1 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.3 COc1ccc(cc1)CN PZM [0,0,0,0,1,1|2,0,0]=4