0 B13R2.328 NC1=C2C=CC=CC2=CC(O)=C1 SY271721 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 O=C1C=C(Br)C2=CC=CC=C2O1 SY026916 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 SY001614 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)N1 SY003536 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 OC1=CC(Br)=C2C=CC=CC2=C1 SY029500 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 SY037068 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 OC1=CC2=C(C=CC=C2)C(O)=C1 SY010964 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.24 OC1=CC2=CC=CC=C2C=N1 SY005563 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 SY003693 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.1081 O=C1C=COC2=C1C=CC=C2 SY020315 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SY001538 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SY029732 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCOC2=C1C=CC=C2 SY003783 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1081 O=C1COCC2=C1C=CC=C2 SY030590 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SY021304 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 SY026934 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1OCCC2=C1C=CC=C2 SY031574 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.1146 O=CC1=C2C=CC=CC2=CC(O)=C1 SY028399 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 SY013490 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.7724 O=C1C=C(O)C(=O)C2=CC=CC=C12 SY012958 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 SY147762 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 CC1=CC(=O)C2=C(C=CC(N)=C2)O1 SY251285 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 SY013829 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 SY025838 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8235 O=C1NC2=C(C=C(F)C=C2)C(=O)O1 SY078685 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.28480 CC1=C2C(=O)OC(=O)NC2=CC=C1 SY148592 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 SY025843 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.29365 O=C1NC2=C(C=CC(Cl)=C2)C(=O)O1 SY021118 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 SY060985 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.75 O=CC1=CC=CC=C1OC(F)F SY035506 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.107 CC(O)=CC(=O)C1=CC=CC=C1 SY266279 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 SY045029 [0,0,1,0,0,0|2,0,1]=4 33 B12R1.283 CCOC1=CC=CC=C1C(=O)O SY003127 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.283 NCCC1=CC=CC=C1C(=O)O SY139425 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 SY003267 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SY004041 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl SY048209 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.308 CCOC(=O)C1=CC=CC=C1I SY037880 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.308 CCOC(=O)C1=NC=CC=C1O SY047825 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.308 N#CCC(=O)C1=CC=CC=C1O SY257790 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 O=C(CCCl)C1=CC=CC=C1O SY046373 [0,0,1,0,0,0|3,0,0]=4 42 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,0,0,0,1,0|3,0,0]=4 43 B12R2.18 NN1SC2=CC=CC=C2C1=O SY294805 [0,0,0,0,1,0|2,1,0]=4 44 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [0,0,0,0,1,0|2,0,1]=4 46 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [0,0,0,0,1,0|1,0,1]=3 47 B12R2.2028 CC1OB(O)C2=CC=CC=C21 SY274016 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.2028 O=C1C=C(Br)C2=C1C=CC=C2 SY268545 [0,0,0,0,1,0|3,0,0]=4 49 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 SY014846 [0,0,0,0,1,0|2,0,1]=4 50 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 SY031995 [0,0,0,0,1,0|3,0,0]=4 51 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 SY039488 [0,0,0,0,1,0|2,0,1]=4 52 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SY036169 [0,0,0,0,1,0|2,0,0]=3 53 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 SY270554 [0,0,0,0,1,0|1,0,0]=2 54 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 SY041374 [0,0,0,0,1,0|1,0,0]=2 55 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 SY001384 [0,0,0,0,1,0|2,0,1]=4 56 B11R1.16 O=C(OCI)C1=CC=CC=C1 SY036475 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SY018003 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 SY012158 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 C#CC1=CC=CC=C1C(=O)O SY101655 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 CCC1=CC=CC=C1C(=O)O SY014274 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 COC1=C(C(=O)O)C=CC=C1 SY003594 [1,0,1,0,0,0|1,0,0]=3 62 B11R1.53 COC1=C(C(=O)O)C=CC=N1 SY005581 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 COC1=CC=CC=C1C(C)=O SY036008 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.53 COC1=CC=NC=C1C(=O)O SY104548 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 COC1=CN=CC=C1C(=O)O SY007547 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.53 CSC1=CC=CC=C1C(=O)O SY048265 [1,0,1,0,0,0|1,1,0]=4 67 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 SY005782 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.53 NNC1=CC=CC=C1C(=O)O SY017791 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.53 O=C(O)C1=CC=CC=C1CO SY117339 [1,0,1,0,0,0|1,0,0]=3 70 B11R1.53 O=CC1=CC=CC=C1C(=O)O SY001395 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.222 CC1=CC=CC=C1C(=O)CO SY130976 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 CNC(=O)C1=CC=CC=C1O SY034205 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 SY009666 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=C(F)C=CC=C1 SY017085 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 COC(=O)C1=C(O)C=CC=C1 SY008800 [1,0,1,0,0,0|1,0,0]=3 77 B11R1.222 COC(=O)C1=C(O)C=NC=C1 SY005796 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.222 COC(=O)C1=CC=CC=C1Br SY001469 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.222 COC(=O)C1=CC=CC=C1I SY002220 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.222 COC(=O)C1=NC=CC=C1O SY028348 [1,0,1,0,0,0|2,0,0]=4 81 B11R1.222 O=C(CO)C1=CC=CC=C1Br SY130966 [1,0,1,0,0,0|2,0,0]=4 82 B11R1.222 O=C(CO)C1=CC=CC=C1Cl SY032642 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.222 O=C(CO)C1=CC=CC=C1F SY130968 [1,0,1,0,0,0|2,0,0]=4 84 B11R1.222 O=C(CO)C1=CC=CC=C1I SY130988 [1,0,1,0,0,0|2,0,0]=4 85 B11R1.222 O=C(NO)C1=CC=CC=C1O SY046520 [1,0,1,0,0,0|1,0,0]=3 86 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 SY005091 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.674 O=C(OCCO)C1=CC=CC=C1O SY032913 [0,1,1,0,0,0|1,0,0]=3 88 B13R1.4453 CCOC(=O)C1=C(C)C=CC=C1O SY031840 [0,1,1,0,0,0|2,0,0]=4 89 B13R2.342 CC1=CC=CC2=C1OCCC2=O SY023822 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.342 NC1=CC=CC2=C1C=COC2=O SY273270 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.342 O=C1C=COC2=C1C=CC=C2Br SY210105 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.342 O=C1CCOC2=C1C=CC=C2Cl SY107928 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.342 O=C1CCOC2=C1C=CC=C2F SY007144 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.342 O=C1OC=CC2=C1C=CC=C2Br SY269657 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 SY022041 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.45 CC1=C(CO)OC2=CC=CC=C21 SY045663 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.243 CC1(C)OC2=CC=CC=C2C1=O SY030446 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.5190 O=C1C2=CC=C(Cl)C=C2OC1Br SY267803 [0,1,0,0,1,0|2,0,0]=4 99 B13R2.2931 COC1OC(=O)C2=C1C=CC=C2 SY017409 [0,1,0,0,1,0|1,0,0]=3 100 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 SY049258 [0,1,0,0,1,0|1,0,1]=4 101 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 SY037776 [0,1,0,0,1,0|1,0,1]=4 102 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 SY039506 [0,1,0,0,1,0|1,0,1]=4 103 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Br SY010203 [0,1,0,0,1,0|1,0,1]=4 104 B13R2.4857 O=C1OC(Br)C2=C1C=CC=C2Br SY248350 [0,1,0,0,1,0|2,0,0]=4 105 B13R2.5187 CC1=CC=C2C(=O)OC(=O)C2=C1 SY011496 [0,1,0,0,1,0|1,0,1]=4 106 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 SY002025 [0,1,0,0,1,0|1,0,1]=4 107 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 SY014696 [0,1,0,0,1,0|1,0,1]=4 108 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 SY045297 [0,1,0,0,1,0|1,0,1]=4 109 B13R2.5187 O=C1OC(=O)C2=CC(O)=CC=C12 SY102305 [0,1,0,0,1,0|1,0,1]=4 110 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 SY295001 [0,1,0,0,1,0|1,0,0]=3 111 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 SY005480 [0,2,0,0,0,0|2,0,0]=4 112 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 SY045104 [0,2,0,0,0,0|2,0,0]=4 113 B15R2.63911 CC1(C)OC(=O)C2=CC=C(O)C=C2O1 SY263471 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.5569 NC(=O)C1=C2OCOC2=CC=C1 SY045091 [0,0,1,1,0,0|2,0,0]=4 115 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 SY009703 [0,0,1,1,0,0|2,0,0]=4 116 B13R2.5569 O=C(O)C1=C2OC=CC2=CC=C1 SY009669 [0,0,1,1,0,0|2,0,0]=4 117 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 SY050605 [0,0,1,1,0,0|2,0,0]=4 118 B13R2.5569 O=C(O)C1=C2OCOC2=CC=C1 SY003496 [0,0,1,1,0,0|1,0,0]=3 119 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 SY024635 [0,0,1,0,1,0|2,0,0]=4 120 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SY004129 [0,0,1,0,1,0|1,0,1]=4 121 B11R2.1 OB1OCC2=CC=CC=C12 SY025271 [1,0,0,0,1,0|1,0,1]=4 122 B11R2.1 ON1N=CC2=C1C=CC=C2 SY274261 [1,0,0,0,1,0|2,0,0]=4 123 B11R2.10 BrC1=CC2=CC=CC=C2O1 SY101367 [1,0,0,0,1,0|2,0,0]=4 124 B11R2.10 CC1=CC2=CC=CC=C2O1 SY039830 [1,0,0,0,1,0|2,0,0]=4 125 B11R2.10 ClC1=CC2=CC=CC=C2O1 SY045676 [1,0,0,0,1,0|2,0,0]=4