0 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.35 Cc1nnc(o1)C([O-])=O BCP12476 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 OC(C1=CON(C)C1)=O BCP10350 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 BrC1=NC(C=O)=CS1 BCP07081 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 Cc1cnc(s1)C=O BCP10107 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 CC(=O)C1=CNN=C1 BCP18458 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.14 COC(=O)C1=N[N](C=N1)C BCP05629 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.14 O=C(OC)C1=CSC(N)=N1 BCP18228 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.55 FC(F)(F)C1=CC=C(C)O1 BCP11258 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,1,0,0,0,0|2,1,0]=4 21 B10R1.13 CC(C1=NC=C(Br)C=N1)=O BCP20538 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [0,0,0,0,0,1|3,0,0]=4 23 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,0,0,0,0,1|1,0,0]=2 27 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,0,0,0,0,1|1,0,0]=2 31 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,0,0,0,0,1|3,0,0]=4 35 B7R1.1 CCC1=CC=CN1 BCP04114 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.1 O=CC1=CC=CN1 BCP13856 [2,0,0,0,0,0|1,0,0]=3 37 B7R1.1 O=CC1=CNC=C1 BCP05260 [2,0,0,0,0,0|2,0,0]=4 38 B7R1.1 O=CC1=CNC=N1 BCP04813 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.1 O=CC1=CSC=N1 BCP07009 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.2 BrC1=CC=C(Br)O1 BCP17059 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.2 CC1=CC=C(C)N1 BCP18596 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.21 O=CC1=CC=C(C=O)O1 BCP14987 [1,1,0,0,0,0|0,0,1]=3 43 B9R1.21 OCC1=CC=C(CO)O1 BCP14976 [1,1,0,0,0,0|0,0,2]=4 44 B9R1.23 O=CC1=NC(C)=C(C)N1 BCP07178 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.11 O=C(C1=CNC=C1)OC BCP08156 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.11 O=C(CBr)C1=NC=CS1 BCP07589 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.41 O=C(N)C1=CC=CN1N BCP13936 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,1,0,0,0,1|1,0,0]=3 49 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,1,0,0,0,1|1,0,0]=3 50 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.166 ClC1=NC(Cl)=CC=C1C(C)=O BCP09337 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.166 FC1=C(C(O)=O)C=CC(C)=C1 BCP09722 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.166 O=C(C1=CC=C(C)N=C1Cl)O BCP09379 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.23 N#CC(C1=CC(C)=CC=C1)=O BCP06462 [0,1,0,0,0,1|1,0,1]=4 65 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C BCP07577 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.74 O=C(C1=CC(Cl)=NC(C)=C1)O BCP11279 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,1,0,0,0,1|2,0,0]=4 69 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br BCP12234 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 BCP16113 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.15 O=C(OCC)C1=CN=C(Cl)O1 BCP18038 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.15 O=C(OCC)C1=NN=C(C)O1 BCP13290 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.225 CC1=CC(=C(C)N1)C(=O)OC BCP14064 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.225 CC1=CC(=C(N)S1)C(=O)OC BCP03568 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.225 COC(=O)C1=C(N)C=C(Br)S1 BCP19755 [0,2,0,0,0,0|1,1,0]=4 77 B11R1.865 O=C(C1=CSC(C)=C1N)OC BCP10080 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.175 OC(=O)c1ccc(o1)C(=O)O BCP16192 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.69 CC1=C(I)C=CC(C)=C1 BCP09622 [0,0,1,1,0,0|2,0,0]=4 80 B9R1.69 Cc1ccc(c(n1)C)N BCP10992 [0,0,1,1,0,0|2,0,0]=4 81 B9R1.69 SC1=CC=C(C)C=C1C BCP08967 [0,0,1,1,0,0|1,1,0]=4 82 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [1,0,0,0,0,1|2,0,0]=4 83 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [1,0,0,0,0,1|2,0,0]=4 84 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,0,0,0,0,2|2,0,0]=4 85 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,0,0,0,0,2|2,0,0]=4 86 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 BCP12969 [0,0,0,0,0,2|2,0,0]=4 87 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,0,0,0,0,2|2,0,0]=4