0 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 CC(OC1=CC=CN=C1)C(=O)O BBL025738 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O BBL037432 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [1,0,0,0,0,0|0,0,2]=3 10 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)Cl BBL014878 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O BBL016386 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BBL002029 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)Cl BBL014494 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 BBL013953 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BBL004012 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 BBL000599 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BBL000519 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN BBL015301 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BBL011269 [0,1,0,0,0,0|1,0,2]=4 28 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBL009783 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O BBL013633 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)Cl BBL014963 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O BBL017772 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.148 CC1=CC=CC(OC(C)C(=O)Cl)=C1 BBL013952 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 BBL002687 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.148 O=C(O)C(=O)NC1=CC=CC(Cl)=C1 BBL000510 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)Cl BBL013959 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)Cl BBL014962 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O BBL017174 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.202 CC(OC1=CC=CC=C1Cl)C(=O)O BBL009420 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.202 CC1=C(OC(C)C(=O)Cl)C=CC=C1 BBL013951 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 BBL002031 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O BBL005266 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl BBL014916 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BBL013594 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C BBL027538 [0,0,0,1,0,0|2,0,1]=4 45 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BBL009921 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.435 NC(=O)[C@@H]1CC2=CC=CC=C2N1 BBL011131 [0,0,0,1,0,0|2,0,1]=4 47 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BBL040922 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,0,0,0,1,0|2,0,1]=4 50 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,0,0,0,1,0|2,0,1]=4 51 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BBL008871 [0,0,0,0,0,1|2,0,1]=4 52 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O BBL000512 [0,0,0,0,0,1|1,0,2]=4 53 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BBL028837 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BBL023002 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,1,0,0,1,0|1,0,1]=4 81 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,1,0,0,1,0|1,0,1]=4 82 B14R1.549 C(=O)\C(=C/C1=CC=CC=C1)CC(=C)C BBL011004 [0,1,0,0,0,1|1,0,1]=4 83 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 BBL040552 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.698 CC(=O)\C=C(\C)NC1=CC=C(C)C=C1 BBL026574 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.5978 CC(=O)CC(=O)NC1=CC(C)=CC=C1 BBL040549 [0,1,0,0,0,1|2,0,0]=4 86 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BBL013183 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BBL028429 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.19 O=C1CS\C(=N/C2=CC=CC=C2)N1 BBL038211 [0,0,0,1,0,1|2,0,0]=4 89 B14R2.598 CC1=C(C2=CC=CC=C2)N=C(Br)S1 BBL031892 [0,0,0,1,0,1|2,0,0]=4 90 B14R2.598 CC1=CC(C)=NN1C2=CC=CC=C2 BBL010616 [0,0,0,1,0,1|2,0,0]=4 91 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BBL022372 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BBL022340 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BBL022460 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 BBL009658 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BBL011977 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 BBL001474 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 BBL030761 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.972 CNC(=O)[C@@H]1CC2=CC=CC=C2N1 BBL011132 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 BBL036219 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2N1 BBL036127 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.972 NNC(=O)C1=CC2=CC=CC=C2O1 BBL018095 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O BBL028761 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.4514 CC1=C(Br)C(C2=CC=CC=C2)=NN1 BBL029429 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.4514 CC1=NNC(C2=CC=CC=C2)=C1Cl BBL032802 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BBL012513 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 BBL030571 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BBL022253 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 BBL030767 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BBL015172 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 BBL037008 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 BBL028125 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BBL014254 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BBL014286 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,0,0,0,1,0|1,0,1]=4 115 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.66 O=C(Cl)\C=C\C1=CC=CO1 BBL037199 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [1,0,0,0,0,1|1,0,0]=3 120 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BBL027729 [0,0,0,0,0,2|1,0,1]=4 121 B14R1.818 CC(\C=C/C1=CC=CC=C1)=C\C(=O)[O-] BBL011316 [0,0,0,0,0,2|1,0,0]=3