0 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 NC(=S)NNC1=CC=CC=C1 BBL010670 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.91 O=C(O)CNC1=NC=CC=N1 BBL010935 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,0,0|0,1,0]=1 12 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [0,0,0,0,0,0|1,1,0]=2 13 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [0,0,0,0,0,0|1,1,0]=2 14 B11R1.91 O=C(O)CSC1=NC=CC=N1 BBL012878 [0,0,0,0,0,0|2,1,0]=3 15 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,0,0,0,0,0|0,0,1]=2 21 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [0,1,0,0,0,0|0,1,0]=2 26 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BBL015035 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BBL037011 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BBL014864 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 BBL013921 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BBL015034 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BBL015033 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [0,1,0,0,0,0|0,0,0]=1 39 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [0,1,0,0,0,0|0,1,0]=2 40 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BBL037328 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BBL035954 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBL012226 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.21 OC(=O)\C=C\C1=CC=C(Cl)C=C1 BBL036957 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,1,0,0,0,0|1,1,0]=3 48 B12R1.27 NNC(=O)CSC1=CC=CC=N1 BBL039495 [0,1,0,0,0,0|2,1,0]=4 49 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BBL029575 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,0|0,0,0]=1 53 B12R1.43 CC(OC1=CC=CN=C1)C(=O)O BBL025738 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O BBL037432 [0,1,0,0,0,0|1,1,0]=3 55 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O BBL036665 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BBL005466 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 BBL031420 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,1,0,0,0,0|0,0,0]=1 76 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,1,0,0,0,0|0,0,0]=1 77 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,1,0,0,0,0|1,0,1]=3 81 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 BBL014168 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 BBL014964 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [0,1,0,0,0,0|0,0,0]=1 87 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BBL034639 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BBL013143 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,1,0,0,0,0|2,0,1]=4 90 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,0|1,0,0]=2 91 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,1,0|2,0,0]=3 92 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [0,0,0,0,1,0|2,1,0]=4 93 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,1,0|1,0,0]=2 94 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,1,0|1,0,0]=2 95 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,1,0|1,0,0]=2 96 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [0,0,0,0,1,0|3,0,0]=4 97 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,0,0,0,1,0|2,0,0]=3 98 B10R1.66 O=C(O)CCN1C=CC=C1 BBL008565 [0,0,0,0,1,0|2,0,0]=3 99 B10R1.66 O=C(O)CCN1C=CC=N1 BBL015777 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.66 O=C(O)CCN1C=CN=C1 BBL012376 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [0,0,0,0,1,0|2,0,1]=4 102 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [0,0,0,0,1,0|2,0,1]=4 103 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BBL010936 [0,0,0,0,0,1|3,0,0]=4 104 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,0,0,0,0,1|0,1,0]=2 105 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,0,0,0,0,1|0,1,0]=2 106 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [0,0,0,0,0,1|0,1,2]=4 107 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [2,0,0,0,0,0|1,0,1]=4 108 B9R1.8 COCC1=CC=CC=C1 BBL011461 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [2,0,0,0,0,0|1,0,1]=4 110 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [2,0,0,0,0,0|0,0,1]=3 114 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [2,0,0,0,0,0|1,0,1]=4 115 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.1 NC1=CC=C(OCCO)C=C1 BBL013118 [1,1,0,0,0,0|0,0,1]=3 118 B11R1.17 C=CCOC1=C(Br)N=CC=C1 BBL036749 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.17 C=CCOC1=CC=CC=C1N BBL023219 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.17 CC1=CC=CC=C1OCCBr BBL028170 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.17 ClC1=CC=CC=C1OCCBr BBL029543 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.17 NC1=CC=CC=C1OCCO BBL013148 [1,1,0,0,0,0|0,0,1]=3 124 B11R1.17 NCCOC1=CC=CC=C1Cl BBL002953 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.17 NCCOC1=CC=CC=C1F BBL002954 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.24 CC1=CC(OCCBr)=CC=C1 BBL029542 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.24 CC1=CC=CC(NCCO)=C1 BBL022936 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.24 NC1=CC(OCCO)=CC=C1 BBL029833 [1,1,0,0,0,0|0,0,1]=3 129 B11R1.24 NCCOC1=CC(Cl)=CC=C1 BBL008277 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BBL008068 [0,1,0,0,1,0|2,0,0]=4 136 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BBL005229 [0,1,0,0,1,0|2,0,0]=4 137 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [0,1,0,0,1,0|1,0,0]=3 138 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BBL018950 [0,1,0,0,1,0|0,0,0]=2 139 B11R1.20 NC1=CC=C(CC(O)=S)C=C1 BBL002831 [0,1,0,0,1,0|0,1,0]=3 140 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBL027456 [0,1,0,0,1,0|0,0,0]=2 141 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,1,0|0,0,0]=2 142 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,1,0|0,0,0]=2 143 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,1,0,0,1,0|2,0,0]=4 144 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,1,0,0,1,0|1,0,0]=3 145 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,1,0,0,1,0|1,0,0]=3 146 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,1,0,0,1,0|2,0,0]=4 147 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,1,0,0,1,0|2,0,0]=4 148 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [0,1,0,0,1,0|1,0,0]=3 149 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BBL007869 [0,1,0,0,1,0|2,0,0]=4 150 B11R1.77 NC(CC(=O)O)C1=CC=CO1 BBL005138 [0,1,0,0,1,0|2,0,0]=4 151 B11R1.77 NC(CC(=O)O)C1=CC=CS1 BBL004480 [0,1,0,0,1,0|2,0,0]=4 152 B11R1.77 NC(CC(=O)O)C1=CSC=C1 BBL028283 [0,1,0,0,1,0|2,0,0]=4 153 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BBL010613 [0,1,0,0,0,1|1,0,0]=3 154 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 BBL008217 [0,1,0,0,0,1|1,0,0]=3 155 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 BBL027892 [0,1,0,0,0,1|2,0,0]=4 156 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 BBL007891 [0,1,0,0,0,1|1,0,1]=4 157 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 BBL002111 [0,1,0,0,0,1|0,1,0]=3 158 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 BBL005395 [0,1,0,0,0,1|0,1,0]=3 159 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 BBL000513 [0,1,0,0,0,1|0,1,0]=3 160 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BBL008871 [0,1,0,0,0,1|1,0,0]=3 161 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O BBL000512 [0,1,0,0,0,1|0,1,0]=3 162 B13R1.513 CC1=CC=C(CSCC(=O)O)C=C1 BBL000503 [0,1,0,0,0,1|0,1,0]=3 163 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 BBL002765 [0,1,0,0,0,1|0,1,0]=3 164 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 BBL022671 [0,1,0,0,0,1|0,1,0]=3 165 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BBL030006 [0,1,0,0,0,1|1,0,0]=3 166 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 BBL007211 [0,1,0,0,0,1|0,1,0]=3 167 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 BBL000373 [0,1,0,0,0,1|0,1,0]=3 168 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BBL009803 [0,1,0,0,0,1|1,0,0]=3 169 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 BBL012982 [0,1,0,0,0,1|2,0,0]=4 170 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 BBL017070 [0,1,0,0,0,1|1,1,0]=4 171 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BBL009402 [0,1,0,0,0,1|2,0,0]=4 172 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 BBL014170 [0,2,0,0,0,0|1,0,0]=3 173 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BBL015073 [0,2,0,0,0,0|0,0,0]=2 174 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BBL002159 [0,2,0,0,0,0|1,0,0]=3 175 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BBL027730 [0,2,0,0,0,0|2,0,0]=4 176 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BBL015361 [0,2,0,0,0,0|1,0,0]=3 177 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BBL012098 [0,2,0,0,0,0|0,0,0]=2 178 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BBL012085 [0,2,0,0,0,0|1,0,1]=4 179 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 BBL013430 [0,2,0,0,0,0|1,0,0]=3 180 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BBL023166 [0,2,0,0,0,0|0,0,0]=2 181 B13R1.14 CC1=CC=C(OCC(=O)NN)C=C1 BBL015549 [0,2,0,0,0,0|1,0,0]=3 182 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BBL023617 [0,2,0,0,0,0|2,0,0]=4 183 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BBL028749 [0,2,0,0,0,0|1,0,0]=3 184 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 BBL009680 [0,2,0,0,0,0|1,0,0]=3 185 B13R1.14 COC(=O)CNC1=CC=C(F)C=C1 BBL031851 [0,2,0,0,0,0|1,0,0]=3 186 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 BBL013454 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.14 NNC(=O)COC1=CC=C(Br)C=C1 BBL013856 [0,2,0,0,0,0|1,0,0]=3 188 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 BBL015533 [0,2,0,0,0,0|1,0,0]=3 189 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 BBL013545 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.14 N\C(COC1=CC=C(Cl)C=C1)=N/O BBL036556 [0,2,0,0,0,0|1,0,0]=3 191 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BBL005120 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BBL004561 [0,2,0,0,0,0|1,0,0]=3 193 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)Cl BBL014878 [0,2,0,0,0,0|1,0,0]=3 194 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O BBL016386 [0,2,0,0,0,0|0,0,0]=2 195 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O BBL002029 [0,2,0,0,0,0|0,0,0]=2 196 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)Cl BBL014494 [0,2,0,0,0,0|1,0,0]=3 197 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 BBL013953 [0,2,0,0,0,0|1,0,0]=3 198 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 BBL004012 [0,2,0,0,0,0|0,0,0]=2 199 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 BBL000599 [0,2,0,0,0,0|0,1,0]=3 200 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O BBL027391 [0,2,0,0,0,0|1,0,0]=3 201 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O BBL007890 [0,2,0,0,0,0|1,0,0]=3 202 B13R1.133 O=C(O)C(=O)NC1=CC=C(F)C=C1 BBL000519 [0,2,0,0,0,0|1,0,1]=4 203 B13R1.164 CC1=C(OCC(=O)O)C=CC(Br)=C1 BBL023606 [0,2,0,0,0,0|0,0,0]=2 204 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 BBL002969 [0,2,0,0,0,0|0,0,0]=2 205 B13R1.164 CC1=CC(=O)C(OCC(=O)O)=CN1 BBL036611 [0,2,0,0,0,0|1,0,0]=3 206 B13R1.164 CC1=CC(=O)C(OCC(=O)O)=CO1 BBL036640 [0,2,0,0,0,0|1,0,0]=3 207 B13R1.164 CC1=CC(C)=C(OCC(=O)Cl)C=C1 BBL014961 [0,2,0,0,0,0|1,0,0]=3 208 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 BBL014309 [0,2,0,0,0,0|0,0,0]=2 209 B13R1.164 O=C(Cl)COC1=C(Br)C=C(Br)C=C1 BBL014854 [0,2,0,0,0,0|1,0,0]=3 210 B13R1.164 O=C(Cl)COC1=C(Cl)C=C(Cl)C=C1 BBL013924 [0,2,0,0,0,0|1,0,0]=3 211 B13R1.164 O=C(Cl)COC1=C(F)C=C(F)C=C1 BBL013920 [0,2,0,0,0,0|1,0,0]=3 212 B13R1.164 O=C(Cl)COC1=CC=C(Br)C=C1Cl BBL014858 [0,2,0,0,0,0|1,0,0]=3 213 B13R1.164 O=C(Cl)COC1=CC=C(F)C=C1Cl BBL014870 [0,2,0,0,0,0|1,0,0]=3 214 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O BBL028276 [0,2,0,0,0,0|1,0,0]=3 215 B13R1.164 O=C(O)COC1=C(Cl)C=C(Br)C=C1 BBL014305 [0,2,0,0,0,0|0,0,0]=2 216 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 BBL007778 [0,2,0,0,0,0|0,0,0]=2 217 B13R1.164 O=C(O)COC1=C(Cl)C=C(F)C=C1 BBL013912 [0,2,0,0,0,0|0,0,0]=2 218 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 BBL013387 [0,2,0,0,0,0|0,0,0]=2 219 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br BBL014289 [0,2,0,0,0,0|0,0,0]=2 220 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl BBL036325 [0,2,0,0,0,0|1,0,1]=4 221 B13R1.511 CC1=C(C)C=C(\C=C\C(=O)O)C=C1 BBL018025 [0,2,0,0,0,0|1,0,1]=4 222 B13R1.511 CC1=C(Cl)C=CC(OCC(=O)Cl)=C1 BBL014169 [0,2,0,0,0,0|1,0,0]=3 223 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br BBL023735 [0,2,0,0,0,0|0,0,0]=2 224 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl BBL014307 [0,2,0,0,0,0|0,0,0]=2 225 B13R1.511 CC1=CC=C(OCC(=O)Cl)C=C1C BBL015338 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C BBL013883 [0,2,0,0,0,0|0,0,0]=2 227 B13R1.511 O=C(Cl)COC1=CC(Cl)=C(F)C=C1 BBL013919 [0,2,0,0,0,0|1,0,0]=3 228 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 BBL027403 [0,2,0,0,0,0|1,0,0]=3 229 B13R1.511 O=C(O)COC1=CC(Cl)=C(F)C=C1 BBL013386 [0,2,0,0,0,0|0,0,0]=2 230 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BBL012113 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.15 CC1=CC=CC(OCC(=O)NN)=C1 BBL015548 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BBL022932 [0,2,0,0,0,0|2,0,0]=4 233 B13R1.15 N\C(COC1=CC(Cl)=CC=C1)=N/O BBL028849 [0,2,0,0,0,0|1,0,0]=3 234 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 BBL035649 [0,2,0,0,0,0|1,0,0]=3 235 B13R1.42 CNCC(O)COC1=CC=CC=C1 BBL018977 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN BBL015301 [0,2,0,0,0,0|1,0,0]=3 237 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BBL011269 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 BBL009783 [0,2,0,0,0,0|1,0,0]=3 239 B13R1.528 CC1=C(OCC(=O)NN)C=CC=C1 BBL008414 [0,2,0,0,0,0|1,0,0]=3 240 B13R1.528 CC1=CC=CC=C1NCC(=O)NN BBL022981 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BBL022931 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 BBL017817 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.528 NNC(=O)CCC1=CC=CC=C1O BBL009239 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.528 NNC(=O)COC1=C(F)C=CC=C1 BBL016860 [0,2,0,0,0,0|1,0,0]=3 245 B13R1.528 NNC(=O)COC1=CC=CC=C1Br BBL015057 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.528 NNC(=O)COC1=CC=CC=C1Cl BBL023329 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.528 N\C(COC1=C(Cl)C=CC=C1)=N/O BBL028482 [0,2,0,0,0,0|1,0,0]=3 248 B13R1.148 CC(OC1=CC(Br)=CC=C1)C(=O)O BBL013633 [0,2,0,0,0,0|0,0,0]=2 249 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(=O)Cl BBL014963 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.148 CC(OC1=CC=CC(Br)=C1)C(N)=O BBL017772 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.148 CC1=CC=CC(OC(C)C(=O)Cl)=C1 BBL013952 [0,2,0,0,0,0|1,0,0]=3 252 B13R1.148 CC1=CC=CC(OC(C)C(=O)O)=C1 BBL002687 [0,2,0,0,0,0|0,0,0]=2 253 B13R1.148 O=C(O)C(=O)NC1=CC=CC(Cl)=C1 BBL000510 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 BBL027465 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)Cl BBL013959 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)Cl BBL014962 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.202 CC(OC1=CC=CC=C1Br)C(=O)O BBL017174 [0,2,0,0,0,0|0,0,0]=2 258 B13R1.202 CC(OC1=CC=CC=C1Cl)C(=O)O BBL009420 [0,2,0,0,0,0|0,0,0]=2 259 B13R1.202 CC1=C(OC(C)C(=O)Cl)C=CC=C1 BBL013951 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.202 CC1=C(OC(C)C(=O)O)C=CC=C1 BBL002031 [0,2,0,0,0,0|0,0,0]=2 261 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O BBL005266 [0,2,0,0,0,0|0,0,0]=2 262 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl BBL014916 [0,2,0,0,0,0|1,0,0]=3 263 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BBL013594 [0,2,0,0,0,0|0,0,0]=2 264 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 BBL022136 [0,2,0,0,0,0|1,0,0]=3 265 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 BBL008180 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BBL008176 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 BBL012151 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 BBL013290 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BBL008169 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBL013281 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 BBL004239 [0,2,0,0,0,0|1,1,0]=4 272 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 BBL008673 [0,2,0,0,0,0|0,1,0]=3 273 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 BBL025899 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBL000576 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.90 C(=O)C1=CC=CC=C1OCC(=O)O BBL009148 [0,2,0,0,0,0|0,0,0]=2 276 B13R1.90 COC1=C(NCC(=O)O)C=CC=C1 BBL012004 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.90 COC1=CC=CC=C1OCC(=O)O BBL012084 [0,2,0,0,0,0|0,0,0]=2 278 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 BBL038188 [0,2,0,0,0,0|0,0,0]=2 279 B13R1.90 NC(=O)COC1=C(C=O)C=CC=C1 BBL023191 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.90 OC(=O)\C=C\C1=CC=CC=C1OC BBL013998 [0,2,0,0,0,0|1,0,1]=4 281 B13R1.150 CC1=C(C)C(OCC(=O)Cl)=CC=C1 BBL014863 [0,2,0,0,0,0|1,0,0]=3 282 B13R1.150 CC1=C(C)C(OCC(=O)O)=CC=C1 BBL014208 [0,2,0,0,0,0|0,0,0]=2 283 B13R1.150 O=C(Cl)COC1=CC=CC(Cl)=C1Cl BBL014976 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.150 O=C(O)COC1=CC=CC(Cl)=C1Cl BBL037532 [0,2,0,0,0,0|0,0,0]=2 285 B13R1.893 CC1=CC(OCC(=O)O)=C(C)C=C1 BBL023636 [0,2,0,0,0,0|0,0,0]=2 286 B13R1.893 CC1=CC(OCC(=O)O)=C(Cl)C=C1 BBL013403 [0,2,0,0,0,0|0,0,0]=2 287 B13R1.893 CC1=CC=C(Cl)C(OCC(=O)Cl)=C1 BBL014857 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.893 O=C(Cl)COC1=C(Cl)C=CC(Cl)=C1 BBL014865 [0,2,0,0,0,0|1,0,0]=3 289 B13R1.893 O=C(O)COC1=C(Cl)C=CC(Cl)=C1 BBL015163 [0,2,0,0,0,0|0,0,0]=2 290 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O BBL015280 [0,2,0,0,0,0|0,0,0]=2 291 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl BBL037342 [0,2,0,0,0,0|1,0,1]=4 292 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1Cl BBL034247 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.643 CCC1=CC=CC(OCC(=O)O)=C1 BBL023123 [0,2,0,0,0,0|0,0,0]=2 294 B13R1.643 COC1=CC(OCC(=O)Cl)=CC=C1 BBL014979 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 BBL037423 [0,2,0,0,0,0|0,0,0]=2 296 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 BBL019132 [0,2,0,0,0,0|1,0,1]=4 297 B13R1.3420 CC1=CC(C)=CC(OCC(=O)Cl)=C1 BBL014184 [0,2,0,0,0,0|1,0,0]=3 298 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 BBL008038 [0,2,0,0,0,0|0,0,0]=2 299 B11R1.57 O=CC1=CC=CN1CC(=O)O BBL020329 [0,0,1,1,0,0|2,0,0]=4 300 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BBL027537 [0,0,0,1,1,0|1,0,0]=3 301 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 BBL008268 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 BBL007894 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 BBL027620 [0,1,0,1,0,0|1,0,1]=4 304 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 BBL011056 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.57 NCC1COC2=C(C=CC=C2)O1 BBL020222 [0,1,0,1,0,0|1,0,1]=4 306 B13R2.369 NC1CC2=CC=CC=C2NC1=O BBL008284 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.435 NC(=O)[C@@H]1CC2=CC=CC=C2N1 BBL011131 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BBL018112 [0,1,0,1,0,0|0,0,1]=3 309 B13R2.435 O=C(O)C1OC2=CC=CC=C2O1 BBL030174 [0,1,0,1,0,0|0,0,0]=2 310 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 BBL027616 [0,1,0,1,0,0|1,0,1]=4 311 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 BBL011145 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,0,0,0,2,0|2,0,0]=4 313 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,0,0,0,2,0|2,0,0]=4 314 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,0,0,0,2,0|1,0,0]=3 315 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,0,0,0,2,0|1,0,1]=4 316 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,0,0,0,2,0|2,0,0]=4 317 B9R1.13 O=C(Cl)CC1=CC=CS1 BBL027527 [0,0,0,0,2,0|2,0,0]=4 318 B9R1.13 O=C(O)CC1=CSC=C1 BBL025878 [0,0,0,0,2,0|1,0,0]=3 319 B9R1.13 O=C(O)CN1C=CC=N1 BBL008568 [0,0,0,0,2,0|2,0,0]=4 320 B9R1.13 O=C(O)CN1C=CN=C1 BBL001468 [0,0,0,0,2,0|2,0,0]=4 321 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 BBL023090 [0,0,0,0,0,2|2,0,0]=4 322 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BBL022628 [0,0,0,0,0,2|0,1,0]=3