0 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 6717 [0,0,0,0,0,0|1,1,1]=3 1 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 6054 [0,0,0,0,0,0|1,1,1]=3 2 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 6400 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.606 C1=CC2=C(C=C1F)SC(=N2)N 6402 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [1,0,0,0,0,0|1,1,0]=3 9 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,0,1,0,0,0|2,0,0]=3 11 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [1,0,1,0,0,0|1,1,0]=4 12 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [1,0,1,0,0,0|1,0,0]=3 13 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [1,0,1,0,0,0|1,1,0]=4 14 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [1,0,1,0,0,0|2,0,0]=4 15 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [1,0,1,0,0,0|0,1,0]=3 16 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 5476 [1,0,1,0,0,0|1,1,0]=4 21 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N 6519 [1,0,1,0,0,0|1,1,0]=4 22 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br 8351 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)F 6069 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)N 6138 [1,0,1,0,0,0|1,0,0]=3 25 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N 8712 [1,0,1,0,0,0|0,0,2]=4 26 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)N 8634 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6092 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)O 6093 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [1,0,1,0,0,0|2,0,0]=4 30 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [2,0,0,0,0,0|2,0,0]=4 31 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [2,0,0,0,0,0|1,0,0]=3 32 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [2,0,0,0,0,0|1,0,0]=3 33 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [2,0,0,0,0,0|2,0,0]=4 34 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [2,0,0,0,0,0|1,0,0]=3 35 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [2,0,0,0,0,0|1,0,0]=3 36 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [2,0,0,0,0,0|2,0,0]=4 37 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [2,0,0,0,0,0|1,1,0]=4 38 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [2,0,0,0,0,0|1,1,0]=4 39 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [2,0,0,0,0,0|1,1,0]=4 40 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [2,0,0,0,0,0|1,0,0]=3 41 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [2,0,0,0,0,0|1,0,0]=3 42 B11R2.36 C1=CC2=C(C=C1N)NC=N2 9866 [2,0,0,0,0,0|1,0,1]=4 43 B11R2.36 C1=CC2=C(C=CN2)C=C1Cl 6668 [2,0,0,0,0,0|1,1,0]=4 44 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [2,0,0,0,0,0|1,0,0]=3 45 B11R2.36 C1=CC2=C(C=CN2)C=C1I 10534 [2,0,0,0,0,0|1,1,0]=4 46 B11R2.36 C1=CC2=C(C=CN2)C=C1N 9468 [2,0,0,0,0,0|2,0,0]=4 47 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [2,0,0,0,0,0|2,0,0]=4 49 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [2,0,0,0,0,0|1,0,1]=4 50 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [2,0,0,0,0,0|1,0,0]=3 51 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)F)F 6226 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.897 C1=CC(=C(C=C1F)C(C(=O)O)O)F 8001 [0,1,1,0,0,0|2,0,0]=4 53 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 8821 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.45 Cc1c2ccccc2[nH]c1C=O M1592 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O 8910 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 9454 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,0,1,0,1,0|1,0,1]=4 60 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,0,1,0,1,0|2,0,0]=4 61 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,0,1,0,1,0|2,0,0]=4 62 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,0,1,0,1,0|1,1,0]=4 63 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,0,1,0,1,0|1,0,0]=3 64 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,0,1,0,1,0|1,1,0]=4