0 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BBL012571 [1,0,0,0,0,0|1,1,1]=4 3 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BBL011393 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBL036895 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 BBL005120 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 BBL004561 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 BBL022136 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 BBL008180 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.147 NC(CC(=O)O)C1=CC(I)=CC=C1 BBL008176 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 BBL012151 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 BBL013290 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 BBL027465 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BBL008169 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl BBL013281 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 BBL004239 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 BBL025899 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 BBL000576 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 BBL009904 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 BBL038121 [0,0,0,0,0,1|2,0,1]=4 30 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BBL008871 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BBL023002 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BBL022181 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 BBL014416 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BBL022164 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.124 NC(C(=O)O)C1=C(F)C=CC=C1 BBL022165 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBL029432 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,1,0,0,1,0|1,0,0]=3 53 B14R1.698 CC(=O)\C=C(\C)NC1=CC=C(C)C=C1 BBL026574 [0,1,0,0,0,1|1,0,1]=4 54 B14R1.11 COC(=O)CC(N)C1=CC(F)=CC=C1 BBL036178 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.29 CC(NC(=O)CC#N)C1=CC=CC=C1 BBL016168 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 BBL022650 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.741 CCC(=O)CC(C)(C)C1=CC=CC=C1 BBL036907 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 BBL010735 [0,2,0,0,0,0|2,0,0]=4 59 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,0,0,1,1,0|2,0,0]=4 61 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 BBL012079 [0,1,0,1,0,0|2,0,0]=4 62 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BBL038142 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BBL038246 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 BBL102262 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,0,0,0,1,0|2,0,0]=4 66 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,0,0,0,1,0|1,0,0]=3 67 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BBL011406 [1,0,0,0,1,0|1,0,0]=3 68 B10R1.18 O=C(O)CC1=CC=CN=C1 BBL001481 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [1,0,0,0,0,1|2,0,0]=4 71 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [1,0,0,0,0,1|1,1,0]=4