0 B7R1.2 C=C1C=CC(=O)O1 C07090 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.2 CC1=CC(O)=NO1 C11103 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 O=C1C=CC(=O)N1 C07272 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 O=C1CCC(=O)N1 C07273 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 O=C1CNC(=O)N1 C05146 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 O=C1CSC(=S)N1 C07280 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 CC1=CN=CN1 C19262 [1,0,0,0,0,0|1,0,0]=2 7 B6R1.2 CC1=CNN=C1 C07837 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 CC1=NC=CN1 C19261 [1,0,0,0,0,0|1,0,0]=2 9 B6R1.2 NC1=CN=CN1 C05239 [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 O=C1C=CCO1 C17601 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 O=C1C=CNO1 C20891 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 O=C1CC=CO1 C17602 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 O=C1NC=CN1 C20382 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.1 CC1=CC=C(C=O)O1 C11115 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.1 C=CC(=O)NCO C19456 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.1 C=CC(=O)OCC C19238 [0,0,1,0,0,0|2,0,1]=4 17 B6R0.1 C\C=N\N(C)C=O C08305 [0,0,1,0,0,0|2,0,1]=4 18 B6R0.2 CC(=O)CC(C)=O C15499 [0,0,1,0,0,0|3,0,0]=4 19 B8R1.3 CC1=CC=C(C)C=C1 C06756 [0,0,0,0,0,1|1,0,0]=2 20 B8R1.3 CC1=CC=C(Cl)C=C1 C14451 [0,0,0,0,0,1|2,0,0]=3 21 B8R1.3 CC1=CC=C(O)C=C1 C01468 [0,0,0,0,0,1|2,0,0]=3 22 B8R1.3 ClC1=CC=C(Cl)C=C1 C07092 [0,0,0,0,0,1|3,0,0]=4 23 B8R1.3 NC1=CC=C(Cl)C=C1 C14450 [0,0,0,0,0,1|3,0,0]=4 24 B8R1.3 NC1=CC=C(F)C=C1 C11014 [0,0,0,0,0,1|3,0,0]=4 25 B8R1.3 NC1=CC=C(N)C=C1 C19499 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.3 NC1=CC=C(O)C=C1 C02372 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.3 O=C1C=CC(=O)C=C1 C00472 [0,0,0,0,0,1|3,0,0]=4 28 B8R1.3 O=C1C=CC(=O)NN1 C18474 [0,0,0,0,0,1|2,0,0]=3 29 B8R1.3 OC1=CC=C(Br)C=C1 C14453 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.3 OC1=CC=C(Cl)C=C1 C02124 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.3 OC1=CC=C(F)C=C1 C16485 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.3 OC1=CC=C(O)C=C1 C00530 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.3 OC1=CC=C(O)N=C1 C01059 [0,0,0,0,0,1|2,0,1]=4 34 B8R1.3 [*]C1=CC=C(N)C=C1 C03084 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.3 [O]C1=CC=C(O)C=C1 C02389 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 CC1=CC(O)=CC=C1 C01467 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.4 CC1=CC=CC(C)=C1 C07208 [0,0,0,0,0,1|1,0,0]=2 38 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.4 ClC1=CC=CC(Cl)=C1 C19397 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 NC1=CC(F)=CC=C1 C11013 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.4 NC1=CC(O)=CC=C1 C05058 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 NC1=CC=CC(N)=C1 C02454 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.4 NC1=NC(=O)NC=C1 C00380 [0,0,0,0,0,1|2,0,1]=4 44 B8R1.4 O=C1C=CNC(=O)N1 C00106 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.4 O=C1C=CNC(=S)N1 C19304 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.4 OC1=CC=CC(Cl)=C1 C14270 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.4 OC1=CC=CC(O)=C1 C01751 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 OC1=CC=CC(O)=N1 C03056 [0,0,0,0,0,1|2,0,1]=4 49 B5R0.1 C=COC(C)=O C19309 [1,0,1,0,0,0|2,0,0]=4 50 B5R0.1 C=COC(C)=O C19546 [1,0,1,0,0,0|2,0,0]=4 51 B5R0.1 CC(C)=CC=O C07330 [1,0,1,0,0,0|2,0,0]=4 52 B5R0.1 CCNC(C)=O C21404 [1,0,1,0,0,0|1,0,1]=4 53 B5R0.1 C\C=C\C(=O)O C01771 [1,0,1,0,0,0|2,0,0]=4 54 B5R0.3 C=CC(=O)OC C19443 [1,0,1,0,0,0|2,0,0]=4 55 B5R1.1 C1=CNC=C1 C19907 [2,0,0,0,0,0|0,0,0]=2 56 B5R1.1 C1=CNC=N1 C01589 [2,0,0,0,0,0|1,0,0]=3 57 B5R1.1 C1=CNN=C1 C00481 [2,0,0,0,0,0|1,0,0]=3 58 B5R1.1 C1=COC=C1 C14275 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.6 NC(=O)\C=C/C(=O)O C01596 [0,1,1,0,0,0|2,0,0]=4 61 B7R1.1 Cl[Hg]C1=CC=CO1 C14282 [1,1,0,0,0,0|2,0,0]=4 62 B7R1.1 O=CC1=CC=CO1 C14279 [1,1,0,0,0,0|1,0,1]=4 63 B7R1.1 OCC1=CC=CO1 C20441 [1,1,0,0,0,0|1,0,0]=3 64 B7R1.1 OCC1=CN=CN1 C05562 [1,1,0,0,0,0|1,0,0]=3 65 B7R1.4 CN1C=CNC1=S C07190 [1,1,0,0,0,0|2,0,0]=4 66 B7R1.15 O=C1C=C(O)C1=O C20592 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [0,1,0,0,0,1|1,0,1]=4 68 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [0,1,0,0,0,1|1,0,0]=3 69 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [0,1,0,0,0,1|2,0,0]=4 70 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.1 COC1=CC=C(N)C=C1 C19326 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.69 CC1=C(Cl)C=C(Cl)C=C1 C18300 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.69 CC1=C(N)C=C(Cl)C=C1 C19366 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.69 CC1=C(N)C=C(N)C=C1 C14401 [0,1,0,0,0,1|2,0,0]=4 76 B9R1.69 CC1=CC(C)=C(C)C=C1 C14533 [0,1,0,0,0,1|1,0,0]=3 77 B9R1.69 CC1=CC(C)=C(N)C=C1 C11003 [0,1,0,0,0,1|2,0,0]=4 78 B9R1.69 CC1=CC(C)=C(O)C=C1 C14582 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.69 CC1=CC(N)=C(C)C=C1 C18993 [0,1,0,0,0,1|1,0,0]=3 80 B9R1.69 CC1=CC(O)=C(O)C=C1 C06730 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.69 CC1=CC=C(O)C(Cl)=C1 C15220 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.69 CC1=CNC(=O)N=C1N C02376 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.69 CC1=CNC(=O)NC1=O C00178 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.2 CC1=CC=CC(C=O)=C1 C07209 [0,1,0,0,0,1|1,0,1]=4 85 B9R1.2 CC1=CC=CC(CO)=C1 C07216 [0,1,0,0,0,1|1,0,0]=3 86 B9R1.2 CCC1=CC(O)=CC=C1 C14386 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.2 CCC1=CC=CC(C)=C1 C14522 [0,1,0,0,0,1|1,0,0]=3 88 B9R1.2 OCC1=CC=CC(O)=C1 C03351 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.3 CC1=C(O)C(=O)C=CO1 C11918 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.3 CC1=CC=CC(C)=C1C C14518 [0,1,0,0,0,1|1,0,0]=3 91 B9R1.3 CC1=CC=CC(C)=C1N C11004 [0,1,0,0,0,1|1,0,0]=3 92 B9R1.3 CC1=CC=CC(O)=C1O C02923 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.34 CC1=CC(=O)NC(=S)N1 C19265 [0,1,0,0,0,1|1,0,0]=3 94 B9R1.34 CC1=CC(C)=CC(C)=C1 C14508 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.34 CC1=CC(O)=CC(=O)O1 C02752 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.34 CC1=CC(O)=CC(O)=C1 C00727 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.7 CC1=NC(CCN)=CN1 C17928 [0,2,0,0,0,0|1,0,1]=4 98 B9R1.21 O=CC1=CC=C(CO)O1 C11101 [0,2,0,0,0,0|1,0,1]=4 99 B9R1.21 OCC1=CC=C(CO)O1 C20443 [0,2,0,0,0,0|1,0,0]=3 100 B9R1.35 O=C(O)C1=CC=C(O)N1 C19721 [0,2,0,0,0,0|1,0,1]=4 101 B9R1.37 C=C1OC(C)=C(O)C1=O C20718 [0,2,0,0,0,0|1,0,1]=4 102 B9R1.37 CC1=C(O)C(=O)C(C)O1 C20717 [0,2,0,0,0,0|1,0,1]=4 103 B9R1.27 CCN1C(=O)C=CC1=O C02441 [0,2,0,0,0,0|2,0,0]=4 104 B7R1.3 CC1=CC=CC=C1 C01455 [0,0,1,1,0,0|1,0,1]=4 105 B7R1.3 CC1=NC=CC=C1 C14447 [0,0,1,1,0,0|0,0,2]=4 106 B5R0.5 CC(=O)C(C)=O C00741 [0,0,1,0,1,0|2,0,0]=4