0 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BBL014152 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.59 CC(=O)C1=CN(C)N=C1C BBL039652 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 BBL031666 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BBL030132 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BBL005562 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BBL036810 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BBL014856 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BBL012869 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BBL014473 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 BBL015798 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 BBL025808 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BBL031605 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BBL030451 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.59 CC1=NC(Cl)=C([N+](=O)[O-])N1 BBL012799 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.59 CC1=NN(C)C=C1C(=O)Cl BBL037776 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.59 CC1=NN(C)C=C1[N+](=O)[O-] BBL038160 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.59 CN1N=C(Cl)N=C1C(=O)O BBL036761 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.59 CN1N=C(N)C=C1C(=O)O BBL040299 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 BBL100128 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.22 CC1=CC(C=O)=C(C)N1 BBL012646 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.22 CC1=CC(C=O)=C(C)S1 BBL039889 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.22 CC1=NN(C)C(C=O)=C1 BBL104313 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.35 CC(=O)C1=CN(C)N=C1 BBL028299 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.35 CC(=O)C1=NN(C)C=C1 BBL039361 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 CC1=CC(C(=O)Cl)=CS1 BBL014946 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.35 CC1=NC(C(=O)O)=CO1 BBL028443 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.35 CC1=NOC(C(=O)O)=C1 BBL016103 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.35 CN1C=C(C(=O)Cl)C=N1 BBL041082 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BBL014852 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 O=C(O)C1=CC=C(Br)S1 BBL016317 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BBL037515 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.35 O=C(O)C1=CC=C(F)S1 BBL040753 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.35 O=C(O)C1=CN=C(Br)S1 BBL010885 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.35 O=[N+]([O-])C1=CN=C(Br)S1 BBL027514 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)S1 BBL011290 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.41 CC(=O)C1=CC=NN1C BBL030287 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.41 CC1=NNC=C1C(=O)O BBL011874 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.41 CC1=NNN=C1C(=O)O BBL030286 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.41 CC1=NON=C1C(=O)O BBL028634 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.41 CN1N=CC=C1C(=O)Cl BBL037395 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.49 CCN1N=C(C)C=C1C(=O)O BBL010154 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 BBL013038 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BBL029772 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BBL011121 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.225 CC1=NN(C)C(C(=O)NN)=C1 BBL037960 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.225 CC1=NN(C)C=C1C(=O)NN BBL038359 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.225 CC1=NN(C)C=C1\C(C)=N\O BBL038815 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.225 COC(=O)C1=CC(C)=NN1C BBL030468 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.672 CC(=O)C1=C(C)N(C)C(=S)S1 BBL030010 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.673 CC(=O)C1=C(C)N(C)N=C1C BBL013058 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br BBL013086 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BBL030988 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BBL028336 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BBL011823 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.1 NC1=NC=C(C=O)S1 BBL013302 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.1 O=CC1=CN=C(Br)S1 BBL030098 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.256 CC1=C(Br)C(C=O)=C(C)N1 BBL033354 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.256 CC1=C(I)C(C=O)=C(C)N1 BBL033358 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.14 CC1=CC=C(C(=O)NN)S1 BBL017585 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BBL037376 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.14 CCC(=O)C1=CC=C(C)S1 BBL016562 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.14 CCC(=O)C1=CN(C)N=C1 BBL034962 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BBL029191 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BBL014956 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.31 CCC1=CC=C(C(=O)O)S1 BBL028250 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.31 CCN1C=C(C(C)=O)C=N1 BBL016189 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.149 CC1=C(C(=O)NN)SC=C1 BBL016100 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.149 COC(=O)C1=C(N)C=CS1 BBL010101 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.149 COC(=O)C1=C(O)C=CS1 BBL040724 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.149 COC(=O)C1=CC=NN1C BBL038725 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.192 CC(=O)C1=C(Br)C=NN1C BBL038451 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.192 CC(=O)C1=C(Cl)C=NN1C BBL039872 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.532 CC1=NN(C)C(NC(=O)CN)=C1 BBL032484 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.850 CC1=NC(C(C)C)=C(C(=O)O)S1 BBL032670 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.111 CC1=C(C(=O)O)SC(N(C)C)=N1 BBL010833 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.277 CCCN1C=C(C(C)=O)C(C)=N1 BBL029897 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 BBL030101 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.313 CCOC(=O)C1=C(C)N=C(Cl)S1 BBL010831 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 BBL007631 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.313 CCOC(=O)C1=CC(C)=NN1C BBL015946 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.3443 COC(=O)C1=C(Br)C(C)=NN1C BBL033072 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [1,0,0,0,0,1|2,0,0]=4