0 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CN1C=C(C=N1)C(=O)O 5080 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 CN1C=C(N=C1)C(=O)O 8619 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 CC1=NOC(=C1)CO M0741 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.1 CN1C=C(C=N1)C=O 8131 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 B(C1=NNC=C1)(O)O P5569 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [1,0,0,0,0,0|0,0,2]=3 15 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 C1=CON=C1C(=O)O I8529 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 C1=NNC(=N1)C(=O)O 10072 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 CC(=O)C1=CC=CS1 8482 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CC(=O)C1=CC=CS1 8660 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 CC(=O)C1=NC=CS1 10337 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.14 COC(=O)C1=CC(=O)NO1 10528 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.59 CC1=C(SC(=N1)C)C(=O)O 8236 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.194 Cc1c(cnn1C)C(=O)O D1289 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,0,0,0,0,1|1,0,1]=3 38 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,0,0,0,0,1|1,0,0]=2 41 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,0,0,0,0,1|1,0,0]=2 53 B7R0.6 C(=C/C(=O)O)/C(=O)N 5513 [1,0,1,0,0,0|1,0,0]=3 54 B7R1.1 C1=CN=C(N1)C=O 6465 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 C1=CSC(=N1)C=O 9389 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.1 c1cc(oc1)C=O F0018 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 c1cc(sc1)C=O T0002 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.2 CC1=CC(=NN1)C 10496 [2,0,0,0,0,0|0,0,1]=3 59 B7R1.2 CC1=CC(=NO1)C 9870 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.2 CC1=CC(=O)NO1 9631 [2,0,0,0,0,0|1,0,1]=4 61 B7R1.2 Cc1cc(n[nH]1)C D0196 [2,0,0,0,0,0|0,0,1]=3 62 B9R1.11 COC(=O)C1=CC=NN1 6618 [1,1,0,0,0,0|0,0,2]=4 63 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.41 C1=NNC(=C1C(=O)O)N 8614 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [1,1,0,0,0,0|0,0,2]=4 66 B9R1.41 Cc1ccoc1C(=O)O M0024 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 8630 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.23 COC(=O)C1=CC(=CN=C1)Br 5020 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.23 COC(=O)C1=NC=CC(=C1)Br 9818 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl 9624 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O 6716 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C 6658 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)F 10642 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.74 CC1=NC(=CC(=C1)C(=O)O)Cl 6505 [0,1,0,0,0,1|1,0,1]=4 88 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O D2449 [0,1,0,0,0,1|1,0,1]=4 89 B11R1.159 CC1=CC=CC(=C1Br)C(=O)O 5552 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O 9214 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.159 CC1=CC=CC(=C1I)C(=O)O 6863 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.159 CC1=CC=CC(=C1N)C(=O)O 6598 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 C1=C(C(=NC=C1F)Cl)C(=O)O 9339 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O 10074 [0,1,0,0,0,1|1,0,1]=4 95 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O 8259 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O 8528 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O 5026 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 5607 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O 6864 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)O 5694 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.266 C1=CC(=CC(=C1)CCl)C(=O)O 8272 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.15 CCOC(=O)C1=NOC(=C1)C 10563 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,0,1,1,0,0|1,0,1]=4 105 B9R1.2 C1=C(C=NC=C1Br)C=O 6653 [1,0,0,0,0,1|2,0,0]=4 106 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,0,0,0,0,1|2,0,0]=4 107 B9R1.13 C1=CSC=C1CC(=O)O 6801 [1,0,0,0,0,1|2,0,0]=4