0 B12R1.252 CC(C)NCCC1=CC=CC=C1 BBL023458 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.252 N(CC1=CC=CC=C1)CC(C)C BBL022517 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BBL011032 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 S=C=NCCC1=CC=CC=C1 BBL009999 [1,0,0,0,0,0|1,1,1]=4 8 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 BBL010613 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 BBL002111 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 BBL005395 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 BBL000513 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BBL008871 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O BBL000512 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.513 CC1=CC=C(CSCC(=O)O)C=C1 BBL000503 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 BBL002765 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 BBL022671 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 BBL030006 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 BBL007211 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 BBL000373 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.718 COC(=O)CCNC1=CC=CC=C1 BBL009803 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 BBL012982 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 BBL017070 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 BBL009402 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,0,0,0,1,0|0,0,0]=1 25 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [0,0,0,0,1,0|1,0,2]=4 28 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,0,0,0,1,0|1,0,0]=2 29 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.91 O=C(O)COC1=CN=CC=C1 BBL009657 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.91 O=C(O)CSC1=CC=NC=C1 BBL001462 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 O=C(O)CSC1=NC=CC=C1 BBL041076 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [0,0,0,0,1,0|1,0,2]=4 36 B11R1.172 O=C(O)CCCN1C=CC=C1 BBL036950 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.337 CN(C)CCNCC1=CC=CC=C1 BBL027710 [0,0,0,0,0,1|3,0,0]=4 38 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 BBL023090 [0,0,0,0,0,1|2,0,0]=3 39 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 BBL022628 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.8 CC#CCNCC1=CC=CC=C1 BBL011123 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.8 CCCCNCC1=CC=CC=C1 BBL010686 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,1,0,0,1,0|0,0,0]=2 46 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BBL013466 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BBL014127 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 BBL000595 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BBL012245 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BBL013866 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BBL014864 [0,1,0,0,1,0|2,0,0]=4 53 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 BBL013921 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,1,0,0,1,0|1,0,0]=3 56 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BBL008613 [0,1,0,0,1,0|2,0,0]=4 57 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 BBL007585 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 BBL000180 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,1,0|2,0,0]=4 60 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O BBL036665 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,1,0|1,0,0]=3 72 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.226 CC1=CC=CC(OCC(=O)Cl)=C1 BBL014168 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BBL007979 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 BBL002631 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,1,0|1,0,0]=3 81 B12R1.226 O=C(Cl)COC1=CC=CC(Br)=C1 BBL014964 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 BBL017173 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,1,0,0,1,0|0,0,2]=4 84 B14R1.148 CC1=CC(OCCCC(=O)O)=CC=C1 BBL037981 [0,1,0,0,0,1|2,0,0]=4 85 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 BBL008872 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.716 CNC(=O)CCNCC1=CC=CN=C1 BBL024554 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.716 NNC(=O)CCCOC1=CC=CC=C1 BBL018072 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 BBL007223 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 BBL026127 [0,1,0,0,0,1|1,0,0]=3 90 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 BBL027729 [0,1,0,0,0,1|1,0,1]=4 91 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O BBL005099 [0,1,0,0,0,1|2,0,0]=4 92 B14R1.1025 COC(=O)CCNC1=CC=CC(Cl)=C1 BBL032007 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 BBL032008 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 BBL025752 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 BBL011307 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 BBL016277 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 BBL011171 [0,2,0,0,0,0|1,0,0]=3 98 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,1,0|1,0,0]=3 100 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 BBL025809 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 BBL028620 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 BBL010898 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.741 NC1CCC2=CC=CC=C2NC1=O BBL011254 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br BBL010024 [0,1,0,1,0,0|2,0,0]=4 105 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BBL038142 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BBL038246 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 BBL011299 [0,1,0,1,0,0|1,0,0]=3 108 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BBL012079 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 BBL102262 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [0,0,0,0,2,0|2,0,0]=4 111 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [0,0,0,0,2,0|1,0,0]=3 112 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [0,0,0,0,2,0|1,0,0]=3 113 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [0,0,0,0,2,0|2,0,0]=4 114 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [0,0,0,0,2,0|1,0,0]=3 115 B10R1.66 CC(=O)CCN1C=CC=N1 BBL037748 [0,0,0,0,2,0|2,0,0]=4 116 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,0,0,0,2,0|2,0,0]=4 117 B10R1.66 O=C(O)CCN1C=CC=C1 BBL008565 [0,0,0,0,2,0|2,0,0]=4