0 B12R1.71 COC1=CC=C(CN=C=S)C=C1 BBL027966 [0,0,0,0,0,0|1,1,2]=4 1 B12R1.71 COC1=CC=C(NCCN)C=C1 BBL015654 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 CCC1=CC=C(N=C=O)C=C1 BBL037654 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.83 COC1=CC=C(CCN)C=C1 BBL027694 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.83 COC1=CC=C(CCO)C=C1 BBL027411 [1,0,0,0,0,0|0,0,3]=4 5 B11R1.83 COC1=CC=C(N=C=S)C=C1 BBL012568 [1,0,0,0,0,0|1,1,1]=4 6 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BBL027751 [1,0,0,0,0,0|0,0,1]=2 7 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 BBL014170 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BBL015073 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BBL002159 [0,1,0,0,0,0|0,0,2]=3 10 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BBL027730 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.3 COC1=CC=C(CNC(=N)N)C=C1 BBL012462 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 BBL028085 [0,1,0,0,0,0|1,1,1]=4 13 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 BBL027940 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BBL015361 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BBL012098 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBL012085 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 BBL002026 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 BBL031398 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 BBL023104 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.57 COC1=CC2=CC=CN=C2C=C1 BBL027610 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [2,0,0,0,0,0|0,0,2]=4 23 B10R1.3 COC1=CC=C(CO)C=C1 BBL027471 [2,0,0,0,0,0|0,0,2]=4 24 B10R1.3 COC1=CC=C(NN)C=C1 BBL012156 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.16 O=C\C=C(/Cl)C1=CC=C(F)C=C1 BBL028207 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BBL028837 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BBL009361 [1,1,0,0,0,0|0,0,1]=3 42 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [1,1,0,0,0,0|0,0,1]=3 43 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BBL000017 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 BBL022901 [1,1,0,0,0,0|1,1,0]=4 45 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BBL005388 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 BBL005494 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.288 C=CCC1=CC=C(OC)C(O)=C1 BBL028696 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.288 COC1=CC=C(N=C=O)C=C1F BBL037648 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BBL005121 [0,2,0,0,0,0|0,0,2]=4 50 B14R1.3 COC1=CC=C(OC(C)C(=O)Cl)C=C1 BBL013960 [0,2,0,0,0,0|1,0,1]=4 51 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BBL002689 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BBL029185 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 BBL014419 [0,2,0,0,0,0|0,0,2]=4 54 B14R1.5 COC1=CC=C(CNC(=O)CN)C=C1 BBL031397 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 BBL014258 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.5 COC1=CC=C(OCC(=O)NN)C=C1 BBL019009 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 BBL037212 [0,2,0,0,0,0|0,0,0]=2 58 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 BBL028051 [0,2,0,0,0,0|1,0,0]=3 59 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015037 [0,2,0,0,0,0|1,0,0]=3 60 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 BBL012068 [0,2,0,0,0,0|1,0,0]=3 61 B14R1.419 O=C(Cl)\C=C\C1=CC=C([N+](=O)[O-])C=C1 BBL015039 [0,2,0,0,0,0|2,0,0]=4 62 B14R1.419 O=C(O)\C=C\C1=CC=C([N+](=O)[O-])C=C1 BBL009860 [0,2,0,0,0,0|2,0,0]=4 63 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 BBL025675 [0,2,0,0,0,0|0,0,2]=4 64 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 BBL036268 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.610 O=C\C=C(/Cl)C1=CC=C([N+](=O)[O-])C=C1 BBL000849 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BBL030007 [0,2,0,0,0,0|0,0,2]=4 67 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BBL027859 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 BBL023745 [0,0,1,1,0,0|1,0,1]=4 69 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [1,0,0,1,0,0|1,1,0]=4 70 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 BBL017838 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 BBL029380 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.1 COC1=CC=C(C2=CNC=N2)C=C1 BBL028641 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.1 COC1=CC=C(C2=NNC=C2)C=C1 BBL028210 [0,1,0,1,0,0|1,0,0]=3 74 B14R2.1 CSC1=CC=C(C2=NNC=C2)C=C1 BBL031983 [0,1,0,1,0,0|1,1,0]=4 75 B14R2.2497 N#CC1=CC=C2NC=C(C=O)C2=C1 BBL029455 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 BBL030899 [0,1,0,1,0,0|1,0,0]=3