0 B13R1.547 COC(=O)C1=C(B(O)O)N=CC=C1 5754AA [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 6961AJ [0,0,0,0,0,0|1,0,0]=1 2 B12R1.77 COC(=O)C1=CC=CN=C1C=O 8421AD [1,0,0,0,0,0|3,0,0]=4 3 B12R1.77 COC(=O)C1=CC=CN=C1CN 1413AC [1,0,0,0,0,0|3,0,0]=4 4 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9995AH [1,0,0,0,0,0|2,0,0]=3 5 B12R1.261 CN(C)C1=NC=CC=C1C(=O)O 1748AF [1,0,0,0,0,0|1,0,0]=2 6 B14R1.623 CCOC(=O)C1=CC=CC=C1N(C)C W6945 [0,1,0,0,0,0|0,0,0]=1 7 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] 7197AD [0,1,0,0,0,0|2,0,1]=4 8 B14R2.24350 CC(=O)C1=C2C(=O)NCC2=CC=C1 3641AJ [0,0,0,1,0,0|3,0,0]=4 9 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 5553AB [2,0,0,0,0,0|2,0,0]=4 10 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 6065AA [2,0,0,0,0,0|2,0,0]=4 11 B11R1.53 NCC1=CC=CC=C1C(=O)O 7123AC [2,0,0,0,0,0|2,0,0]=4 12 B11R1.222 CNC(=O)C1=CC=CC=C1S 0033AP [2,0,0,0,0,0|2,0,0]=4 13 B11R1.222 COC(=O)C1=CN=CC=C1C 6297AA [2,0,0,0,0,0|1,0,0]=3 14 B11R1.222 NC1=CC=CC=C1C(=O)CCl 3303AL [2,0,0,0,0,0|2,0,0]=4 15 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CCl 2182AJ [1,1,0,0,0,0|2,0,0]=4 16 B13R1.382 COC(=O)C1=CC=CC=C1N=[N+]=[N-] 0060AQ [1,1,0,0,0,0|1,0,1]=4 17 B13R1.2065 COC(=O)C1=CN=C(Cl)C=C1NN 7565AE [1,1,0,0,0,0|2,0,0]=4 18 B13R1.2209 CNC1=CC=C(C)C=C1C(=O)OC 3151AL [1,1,0,0,0,0|0,0,0]=2 19 B13R1.2209 COC(=O)C1=C(C=O)C=CC(F)=C1 4307AJ [1,1,0,0,0,0|2,0,0]=4 20 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N Z2502 [1,1,0,0,0,0|1,0,0]=3 21 B15R1.38500 COC(=O)C1=CC=NC(Br)=C1[Si](C)(C)C 0531AF [0,2,0,0,0,0|2,0,0]=4 22 B15R1.38509 COC(=O)C1=C(C(=O)OC)C(C)=CC=C1 2361AJ [0,2,0,0,0,0|2,0,0]=4 23 B15R1.38509 COC(=O)C1=C(C(=O)OC)C(N)=CC=C1 7394AB [0,2,0,0,0,0|2,0,0]=4 24 B13R2.371 CC1CNC(=O)C2=C1C=CC=C2 2880AJ [1,0,0,1,0,0|2,0,0]=4 25 B13R2.2931 CSC1=CN(C)C2=C1C=CC=C2 1650AL [1,0,0,1,0,0|1,1,0]=4 26 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 1366AJ [1,0,0,1,0,0|2,0,0]=4 27 B15R2.7494 CC1(C)CCC(=O)C2=C1C=CC(Br)=C2 3067AL [0,1,0,1,0,0|2,0,0]=4 28 B15R2.19310 COC(=O)C1=C2C(=O)CCC2=CC=C1 1011AC [0,1,0,1,0,0|2,0,0]=4 29 B15R2.19310 COC(=O)C1=C2C(=O)NCC2=CC=C1 5875AC [0,1,0,1,0,0|2,0,0]=4 30 B13R1.543 COC(=O)C1=CC([C@@H](C)N)=CC=C1 8980AH [0,0,0,0,1,1|2,0,0]=4 31 B13R1.543 COC(=O)C1=CC([C@H](C)N)=CC=C1 9222AH [0,0,0,0,1,1|2,0,0]=4 32 B13R1.543 COC(=O)C1=CC=CC(C(C)Br)=C1 6973AJ [0,0,0,0,1,1|2,0,0]=4 33 B13R1.543 COC(=O)C1=CC=CC(C(C)N)=C1 4231AJ [0,0,0,0,1,1|2,0,0]=4 34 B13R1.543 COC(=O)C1=CC=CC(C(C)N)=C1 4232AJ [0,0,0,0,1,1|2,0,0]=4 35 B13R1.543 COC(=O)C1=NC(C(C)=O)=CC=C1 1935AA [0,0,0,0,1,1|2,0,0]=4