0 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 CC1=CC2=C(C=CC=C2)C(=O)N1 F13592 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 F11681 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.1146 O=CC1=CC(O)=CC2=CC=CC=C21 31395 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.8045 O=C1NC2=C(F)C=CC=C2C(=O)O1 56559 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.8235 CC1=CC2=C(C=C1)NC(O)=CC2=O 35971 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.28480 O=C1NC2=CC=CC(Br)=C2C(=O)O1 91450 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.29365 CC1=CC(=O)C2=C(C=C(O)C=C2)O1 F14545 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 C12630 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.283 CCOC1=C(C(=O)O)C=CN=C1 C76521 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.283 NCCC1=C(C(=O)O)C=CC=C1 52097 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [0,0,1,0,0,0|3,0,0]=4 20 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [1,0,1,0,0,0|2,0,0]=4 30 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.141 CCOC1=C(C(=O)O)C=C(C)C=C1 P20566 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.356 CCOC1=C(C(=O)O)C=CC(F)=C1 D79235 [0,1,1,0,0,0|2,0,0]=4 33 B13R1.572 COCCC1=C(C(=O)O)C=CC=C1 93002 [0,1,1,0,0,0|2,0,0]=4 34 B13R1.446 CCOC(=O)C1=C(O)C=CC(Cl)=C1 D84516 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 I11795 [0,1,1,0,0,0|2,0,0]=4 36 B13R2.342 NC1=CC=CC2=C1OCCC2=O N13092 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 I11476 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.342 O=C1CCOC2=C1C=CC=C2O N14376 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 32120 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 I11462 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 I11474 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 Y12176 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 29683 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.4857 NC1=C2C(=O)OC(=O)C2=CC=C1 W18402 [0,1,0,0,1,0|1,0,1]=4 47 B13R2.4857 O=C1N[C@@H](O)C2=CC=CC(Br)=C12 AB10131 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.4857 O=C1OC(=O)C2=C(I)C=CC=C12 78055 [0,1,0,0,1,0|1,0,1]=4 49 B13R2.4857 O=C1O[C@H](O)C2=CC=CC(Cl)=C12 57830 [0,1,0,0,1,0|1,0,0]=3 50 B13R2.5187 O=C1N[C@@H](O)C2=C1C=CC(Br)=C2 C90504 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 C10538 [0,1,0,0,1,0|1,0,1]=4 52 B15R2.14951 O=C1C[C@@H](C(=O)O)OC2=C1C=CC=C2 D78741 [0,2,0,0,0,0|2,0,0]=4 53 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 P10903 [0,0,1,1,0,0|2,0,0]=4 54 B13R2.5569 O=C(O)C1=C2N=COC2=CC=C1 Y10061 [0,0,1,1,0,0|2,0,0]=4 55 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 F14470 [0,0,1,1,0,0|2,0,0]=4 56 B13R2.5569 O=C(O)C1=C2OC=NC2=CC=C1 P18639 [0,0,1,1,0,0|2,0,0]=4 57 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [1,0,0,0,1,0|2,0,0]=4 60 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [0,0,1,0,0,1|2,0,0]=4