0 B13R1.713 C#CC(OC(=O)N)C1=CC=CC=C1 Z1198155485 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.713 CC(O)CC(CN)C1=CC=CC=C1 Z1410955907 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.713 CC/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748324 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,0,0,0,0,0|1,0,0]=1 6 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 Z763029850 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.713 CN(C)CC(CN)C1=CC=CC=C1 Z431512726 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,0,0,0,0,0|0,0,0]=0 10 B13R1.713 NCC(CC(=O)O)C1=CC=NC=C1 Z2901973961 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [1,0,0,0,0,0|0,0,1]=2 15 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,0,0,0,0,0|0,0,2]=3 16 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [1,0,0,0,0,0|1,0,2]=4 18 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,0,0,0,0,0|0,0,0]=1 22 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [1,0,0,0,0,0|2,1,0]=4 26 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 Z275027154 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.107 CN(CC(=O)O)C1=NC=CN=C1 Z275027150 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,0,0,0,0,0|0,0,0]=1 33 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,0,0,0,0,0|1,0,0]=2 34 B12R1.107 NC(CC(F)F)C1=CC=CC=C1 Z2327568967 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,0,0,0,0,0|0,0,0]=1 36 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,0,0,0,0,0|0,0,0]=1 37 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,0,0,0,0,0|1,0,2]=4 38 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,0,0,0,0,0|1,0,0]=2 39 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,0,0,0,0,0|2,0,1]=4 40 B14R1.515 C#CCC(CC(=O)O)C1=CC=CC=C1 Z1262516818 [0,1,0,0,0,0|1,0,0]=2 41 B14R1.515 N#CCC(CC(=O)O)C1=CC=CC=C1 Z1262525162 [0,1,0,0,0,0|0,0,1]=2 42 B14R1.1019 CC/C(=C\C(=O)O)/C1=CC=C(C=C1)C Z352747448 [0,1,0,0,0,0|1,0,2]=4 43 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C Z352782040 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.1019 CCC(NC(=O)C)C1=CC=C(C=C1)Cl Z254491600 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.1019 CN(C)CC(CN)C1=CC=C(C=C1)Cl Z2065464279 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)Cl Z2569257770 [0,1,0,0,0,0|0,0,0]=1 47 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)F Z2471610998 [0,1,0,0,0,0|0,0,0]=1 48 B14R1.1020 CC/C(=C\C(=O)O)/C1=CC(=CC=C1)Cl Z352747070 [0,1,0,0,0,0|1,0,2]=4 49 B14R1.3297 C=CC(=O)N[C@@H](CC)C1=CC=CC=C1 Z2327494958 [0,1,0,0,0,0|3,0,0]=4 50 B14R1.3297 C=CC(=O)N[C@@H](CF)C1=CC=CC=C1 Z4335402653 [0,1,0,0,0,0|3,0,0]=4 51 B14R1.3297 C=CC(=O)N[C@@H](CO)C1=CC=CC=C1 Z1509255640 [0,1,0,0,0,0|3,0,0]=4 52 B14R1.3297 C=CC(=O)N[C@H](CC)C1=CC=CC=C1 Z2327494978 [0,1,0,0,0,0|3,0,0]=4 53 B14R1.3297 C=CC(=O)N[C@H](CF)C1=CC=CC=C1 Z4335402655 [0,1,0,0,0,0|3,0,0]=4 54 B14R1.3297 C=CC(=O)N[C@H](CO)C1=CC=CC=C1 Z1946914696 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.3297 CCC(NC(=O)CN)C1=CC=CC=C1 Z1449946402 [0,1,0,0,0,0|3,0,0]=4 56 B14R1.3642 CCC(C)(NC(=O)N)C1=CC=CC=C1 Z1153386323 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.3642 CCC(O)(CC(=O)N)C1=CC=CC=C1 Z1198158614 [0,1,0,0,0,0|2,0,0]=3 58 B14R1.3642 CCC(O)(CC(=O)O)C1=CC=CC=C1 Z982131910 [0,1,0,0,0,0|1,0,0]=2 59 B14R1.6455 CC(=O)N(CC(=O)O)C1=CC=CC=C1 Z57724160 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.6455 CC(=O)NC(C1=CC=CC=C1)C(F)F Z1509169358 [0,1,0,0,0,0|3,0,0]=4 61 B14R1.6455 CC(C)C(CC(=O)O)C1=CC=CC=C1 Z337709416 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 Z104478578 [0,1,0,0,0,0|1,0,1]=3 63 B14R1.6455 O=C(O)CC(C1=CC=CC=C1)C(F)F Z1510051007 [0,1,0,0,0,0|1,0,0]=2 64 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,1,0,0|1,0,2]=4 65 B14R2.2 CC(=O)NC1CCC2=C1C=CC=C2 Z196761018 [0,0,0,1,0,0|3,0,0]=4 66 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,1,0,0|3,0,0]=4 67 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,1,0,0|1,0,2]=4 68 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,1,0,0|3,0,0]=4 69 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,1,0,0|0,0,2]=3 70 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,1,0,0|1,0,2]=4 71 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,1,0,0|1,0,2]=4 72 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,1,0,0|1,0,2]=4 73 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,1,0,0|1,0,2]=4 74 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,1,0,0|1,0,1]=3 75 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,1,0,0|2,0,1]=4 76 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,1,0,0|2,0,1]=4 77 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,1,0,0|1,0,0]=2 78 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,1,0,0|0,0,0]=1 79 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,1,0,0|1,0,0]=2 80 B14R2.2 O=C(O)CC1OCC2=C1C=CC=N2 Z5457661360 [0,0,0,1,0,0|3,0,0]=4 81 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,1,0,0|2,0,1]=4 82 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,1,0,0|1,0,2]=4 83 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,1,0,0|3,0,0]=4 84 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,1,0,0|2,0,1]=4 85 B14R2.21 CC1CNCC(C1)C2=CC=CC=C2 Z1492427258 [0,0,0,1,0,0|2,0,1]=4 86 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,1,0,0|2,0,0]=3 87 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,1,0,0|3,0,0]=4 88 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,1,0,0|2,0,0]=3 89 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,1,0,0|3,0,0]=4 90 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,1,0,0|3,0,0]=4 91 B14R2.403 CC1(CC(CN1)C2=CC=CC=C2)C Z2894352774 [0,0,0,1,0,0|2,0,1]=4 92 B14R2.403 O=S1(=O)CC(CN1)C2=CC=CC=C2 Z1862025182 [0,0,0,1,0,0|1,0,1]=3 93 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [0,0,0,1,0,0|2,0,1]=4 94 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [0,0,0,1,0,0|1,0,1]=3 95 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,0,0,1,0,0|0,0,0]=1 96 B14R2.1014 O=C(O)CC1(CC1)C2=CC=CC=C2 Z1255374825 [0,0,0,1,0,0|1,0,0]=2 97 B14R2.1146 NCC1=CC(=O)NC2=C1C=CC=C2 Z1259162071 [0,0,0,1,0,0|1,0,2]=4 98 B14R2.1146 NCC1CC(=O)NC2=C1C=CC=C2 Z1170758560 [0,0,0,1,0,0|1,0,0]=2 99 B14R2.3449 NCC1(CC(=O)C1)C2=CC=CC=C2 Z1696861483 [0,0,0,1,0,0|1,0,0]=2 100 B14R2.3499 NCC1(CC1(F)F)C2=CC=CC=C2 Z3271216687 [0,0,0,1,0,0|2,0,1]=4 101 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,0,0,1,0,0|1,0,0]=2 102 B14R2.45179 NCC1CS(=O)(=O)C2=C1C=CC=C2 Z425994408 [0,0,0,1,0,0|1,0,1]=3 103 B14R2.45179 O=S1(=O)CC(C2=C1C=CC=C2)CO Z2216314069 [0,0,0,1,0,0|2,0,1]=4 104 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 Z366424654 [0,0,0,0,1,0|2,0,1]=4 105 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,0,0,0,1,0|1,0,0]=2 106 B12R1.478 CCC(C(=O)O)C1=CN=CC=C1 Z982129822 [0,0,0,0,1,0|2,0,0]=3 107 B12R1.478 CCN(C(=O)C)C1=CC=CC=C1 Z58324632 [0,0,0,0,1,0|3,0,0]=4 108 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [0,0,0,0,1,0|2,0,0]=3 109 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [0,0,0,0,1,0|3,0,0]=4 110 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [0,0,0,0,1,0|2,0,0]=3 111 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [0,0,0,0,1,0|2,0,0]=3 112 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,0,0,0,1,0|0,0,0]=1 113 B12R1.478 NCC(C1=CC=CC=C1)C(F)F Z1269176627 [0,0,0,0,1,0|2,0,1]=4 114 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,0,0,0,1,0|1,0,0]=2 115 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,0,0,0,1,0|1,0,0]=2 116 B14R1.540 C=C(Br)CN[C@H](CO)C1=CC=CC=C1 Z1641023284 [0,0,0,0,0,1|3,0,0]=4 117 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,0,0,0,0,1|1,0,0]=2 118 B14R1.549 CCC(CC1=CC=CC=C1)NC(=O)N Z1088508442 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [2,0,0,0,0,0|1,0,0]=3 120 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [2,0,0,0,0,0|0,0,1]=3 121 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [2,0,0,0,0,0|1,0,0]=3 122 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [2,0,0,0,0,0|1,0,1]=4 124 B11R1.12 N#CC(C=O)C1=CC=CC=C1 Z57912400 [2,0,0,0,0,0|0,0,2]=4 125 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [2,0,0,0,0,0|0,0,0]=2 126 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [2,0,0,0,0,0|1,0,0]=3 127 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [2,0,0,0,0,0|2,0,0]=4 128 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [2,0,0,0,0,0|0,0,0]=2 130 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [2,0,0,0,0,0|1,0,1]=4 135 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [2,0,0,0,0,0|0,0,1]=3 136 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [2,0,0,0,0,0|2,0,0]=4 139 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [2,0,0,0,0,0|1,0,0]=3 141 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [2,0,0,0,0,0|2,0,0]=4 142 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [2,0,0,0,0,0|2,0,0]=4 143 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [2,0,0,0,0,0|2,0,0]=4 144 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [2,0,0,0,0,0|2,0,0]=4 145 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [2,0,0,0,0,0|2,0,0]=4 146 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [2,0,0,0,0,0|2,0,0]=4 147 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [2,0,0,0,0,0|1,1,0]=4 148 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [2,0,0,0,0,0|0,0,2]=4 149 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [2,0,0,0,0,0|0,0,2]=4 150 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [2,0,0,0,0,0|0,0,0]=2 151 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [2,0,0,0,0,0|1,0,0]=3 152 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [2,0,0,0,0,0|1,0,0]=3 153 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [2,0,0,0,0,0|1,0,0]=3 155 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [2,0,0,0,0,0|1,0,0]=3 159 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [2,0,0,0,0,0|1,0,0]=3 163 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [2,0,0,0,0,0|2,0,0]=4 164 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [2,0,0,0,0,0|1,0,0]=3 165 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [2,0,0,0,0,0|1,0,1]=4 168 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [2,0,0,0,0,0|1,0,1]=4 169 B13R1.26 CCC(OCCO)C1=CC=CC=C1 Z1896226330 [1,1,0,0,0,0|1,0,1]=4 170 B13R1.11 C=CC(=O)N[C@@H](C)C1=CC=CC=C1 Z1165166436 [1,1,0,0,0,0|2,0,0]=4 171 B13R1.11 C=CC(=O)N[C@H](C)C1=CC=CC=C1 Z1165166451 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [1,1,0,0,0,0|2,0,0]=4 174 B13R1.11 CNC(=O)CC(C)C1=CC=NC=C1 Z1400394783 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 Z139720848 [1,1,0,0,0,0|0,0,0]=2 176 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.132 C/C(=C\C(=O)O)/C1=CC=C(C=C1)F Z352747294 [1,1,0,0,0,0|0,0,2]=4 178 B13R1.132 CC(=O)NC(C)C1=CC=C(C=C1)Br Z28030902 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br Z1269234118 [1,1,0,0,0,0|0,0,0]=2 180 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)F Z352782250 [1,1,0,0,0,0|0,0,0]=2 181 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)N Z1262514048 [1,1,0,0,0,0|0,0,0]=2 182 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O Z352782406 [1,1,0,0,0,0|0,0,0]=2 183 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O Z56912034 [1,1,0,0,0,0|0,0,0]=2 184 B13R1.132 CN(CC(=O)O)C1=NC=C(C=C1)Cl Z275027142 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)Cl Z1346385388 [1,1,0,0,0,0|1,0,0]=3 186 B13R1.132 NC(=O)C[C@@H](N)C1=CC=C(C=C1)F Z1696091886 [1,1,0,0,0,0|1,0,0]=3 187 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)Cl Z756926884 [1,1,0,0,0,0|1,0,0]=3 188 B13R1.132 NC(=O)C[C@H](N)C1=CC=C(C=C1)F Z1696290104 [1,1,0,0,0,0|1,0,0]=3 189 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br Z147647162 [1,1,0,0,0,0|0,0,0]=2 190 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Cl Z56899122 [1,1,0,0,0,0|0,0,0]=2 191 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)F Z56921163 [1,1,0,0,0,0|0,0,0]=2 192 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)Br Z1696824108 [1,1,0,0,0,0|0,0,0]=2 193 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(C=C1)F Z4935533100 [1,1,0,0,0,0|0,0,0]=2 194 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)Cl Z982132070 [1,1,0,0,0,0|1,0,0]=3 195 B13R1.132 O=C(O)CC(O)C1=CC=C(C=C1)F Z982132094 [1,1,0,0,0,0|1,0,0]=3 196 B13R1.132 O=C(O)CS(=O)C1=CC=C(C=C1)Cl Z802568764 [1,1,0,0,0,0|2,0,0]=4 197 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Br Z352748382 [1,1,0,0,0,0|0,0,2]=4 198 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)Cl Z352746932 [1,1,0,0,0,0|0,0,2]=4 199 B13R1.147 C/C(=C\C(=O)O)/C1=CC(=CC=C1)F Z352748162 [1,1,0,0,0,0|0,0,2]=4 200 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Br Z355054578 [1,1,0,0,0,0|2,0,0]=4 201 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Cl Z27637837 [1,1,0,0,0,0|2,0,0]=4 202 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)F Z28545555 [1,1,0,0,0,0|2,0,0]=4 203 B13R1.147 CC(CC(=O)O)C1=CC(=CC=C1)F Z352781822 [1,1,0,0,0,0|0,0,0]=2 204 B13R1.147 CC1=CC(=CC=C1)C(N)CC(=O)O Z317027260 [1,1,0,0,0,0|0,0,0]=2 205 B13R1.147 NC(=O)C[C@@H](N)C1=CC(=CC=C1)Cl Z1346385500 [1,1,0,0,0,0|1,0,0]=3 206 B13R1.147 NC(=O)C[C@H](N)C1=CC(=CC=C1)Cl Z756926892 [1,1,0,0,0,0|1,0,0]=3 207 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Br Z56899123 [1,1,0,0,0,0|0,0,0]=2 208 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)Cl Z317027314 [1,1,0,0,0,0|0,0,0]=2 209 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [1,1,0,0,0,0|0,0,0]=2 210 B13R1.147 NC1=CC=CC(=C1)C(N)CC(=O)O Z1198161215 [1,1,0,0,0,0|0,0,0]=2 211 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [1,1,0,0,0,0|1,0,0]=3 212 B13R1.152 CC(C(=O)O)C(N)C1=CC=CC=C1 Z1272096620 [1,1,0,0,0,0|0,0,0]=2 213 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)N Z2182115487 [1,1,0,0,0,0|1,0,0]=3 214 B13R1.152 CC(C1=CC=CC=C1)C(N)C(=O)O Z802846100 [1,1,0,0,0,0|0,0,0]=2 215 B13R1.152 CC(C1=CC=CC=C1)C(O)C(=O)O Z802846688 [1,1,0,0,0,0|0,0,0]=2 216 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 Z1649893051 [1,1,0,0,0,0|1,0,0]=3 217 B13R1.201 C/C(=C\C(=O)O)/C1=C(C=CC=C1)F Z352747962 [1,1,0,0,0,0|0,0,2]=4 218 B13R1.201 CC(=O)NC(C)C1=C(C=CC=C1)Br Z28116257 [1,1,0,0,0,0|2,0,0]=4 219 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)Br Z729841796 [1,1,0,0,0,0|0,0,0]=2 220 B13R1.201 CC(CC(=O)O)C1=C(C=CC=C1)F Z352782394 [1,1,0,0,0,0|0,0,0]=2 221 B13R1.201 CC1=C(C=CC=C1)/C(=C/C(=O)O)/C Z352748716 [1,1,0,0,0,0|0,0,2]=4 222 B13R1.201 CC1=C(C=CC=C1)C(C)CC(=O)O Z352782580 [1,1,0,0,0,0|0,0,0]=2 223 B13R1.201 CC1=C(C=CC=C1)C(N)CC(=O)O Z317027322 [1,1,0,0,0,0|0,0,0]=2 224 B13R1.201 CC1=C(C=CC=C1)[C@@H](N)CC(=O)O Z1270399998 [1,1,0,0,0,0|0,0,0]=2 225 B13R1.201 NC(=O)C[C@@H](N)C1=C(C=CC=C1)Cl Z1346385532 [1,1,0,0,0,0|1,0,0]=3 226 B13R1.201 NC(=O)C[C@H](N)C1=C(C=CC=C1)Cl Z1696289879 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)Cl Z56854346 [1,1,0,0,0,0|0,0,0]=2 228 B13R1.201 NC(CC(=O)O)C1=C(C=CC=C1)F Z56782527 [1,1,0,0,0,0|0,0,0]=2 229 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 Z752371312 [1,1,0,0,0,0|0,0,0]=2 230 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 Z982131900 [1,1,0,0,0,0|0,0,0]=2 231 B13R1.347 CC(O)CC(C)(C)C1=CC=CC=C1 Z445987050 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.352 CC(CS(=O)(=O)N)C1=CC=CC=C1 Z954606858 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.352 CS(=O)(=O)CC(N)C1=CC=CC=C1 Z1333043359 [1,1,0,0,0,0|1,0,1]=4 234 B13R1.712 NCC(CC(=O)O)C1=CC(=CS1)Br Z2938030450 [0,1,0,0,1,0|1,0,0]=3 235 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Cl Z982129852 [0,1,0,0,1,0|1,0,0]=3 236 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)F Z792377316 [0,1,0,0,1,0|1,0,0]=3 237 B13R1.706 CNC(C(=O)O)C1=CC=C(C=C1)F Z446011670 [0,1,0,0,1,0|2,0,0]=4 238 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)O Z1262556696 [0,1,0,0,1,0|2,0,0]=4 239 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)Cl Z3244719959 [0,1,0,0,1,0|0,0,0]=2 240 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)F Z3244719948 [0,1,0,0,1,0|0,0,0]=2 241 B13R1.706 O=C(O)C(CO)C1=CC=C(C=C1)Cl Z1508925263 [0,1,0,0,1,0|1,0,0]=3 242 B13R1.716 CCC(C(=O)O)C1=CC(=CC=C1)Cl Z982130900 [0,1,0,0,1,0|1,0,0]=3 243 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)Br Z1552027510 [0,1,0,0,1,0|2,0,0]=4 244 B13R1.716 CNC(C(=O)O)C1=CC(=CC=C1)F Z5105547779 [0,1,0,0,1,0|2,0,0]=4 245 B13R1.719 NCC(C1=CC=CC=C1)S(=O)(=O)O Z1509515000 [0,1,0,0,1,0|1,0,0]=3 246 B13R1.720 CNC(C(=O)O)C1=C(C=CC=C1)C Z446011654 [0,1,0,0,1,0|2,0,0]=4 247 B13R1.720 CNC(C(=O)O)C1=C(C=CC=C1)Cl Z1160899454 [0,1,0,0,1,0|2,0,0]=4 248 B13R1.720 COC(C(=O)O)C1=C(C=CC=C1)Br Z1592680739 [0,1,0,0,1,0|2,0,0]=4 249 B13R1.1111 CC(C)C(C(=O)O)C1=CC=CC=C1 Z982130186 [0,1,0,0,1,0|1,0,0]=3 250 B13R1.1111 CC(C)C(C(=O)O)C1=CN=CC=C1 Z982129826 [0,1,0,0,1,0|2,0,0]=4 251 B13R1.1111 CN(C)C(C(=O)O)C1=CC=CC=C1 Z1118274869 [0,1,0,0,1,0|2,0,0]=4 252 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 Z277558324 [0,1,0,0,1,0|1,0,1]=4 253 B13R1.3085 CCC(N)(C(=O)O)C1=CC=CC=C1 Z317024888 [0,1,0,0,1,0|1,0,0]=3 254 B13R1.3085 CCC(O)(C(=O)O)C1=CC=CC=C1 Z788000464 [0,1,0,0,1,0|1,0,0]=3 255 B13R1.3085 COC(C)(C(=O)O)C1=CC=CC=C1 Z803492240 [0,1,0,0,1,0|2,0,0]=4 256 B15R1.1097 CCC(=O)NCC(CC)C1=CC=CC=C1 Z73476521 [0,1,0,0,0,1|2,0,0]=4 257 B15R1.1097 CCC(CNC(=O)CCl)C1=CC=CC=C1 Z89264976 [0,1,0,0,0,1|2,0,0]=4 258 B15R1.1350 CCC(C1=CC=CC=C1)S(=O)CC(=O)N Z1407852495 [0,1,0,0,0,1|2,0,0]=4 259 B15R1.12293 CC(C)C(NCC(=O)N)C1=CC=CC=C1 Z106871882 [0,1,0,0,0,1|2,0,0]=4 260 B15R1.12293 CN(C)C(CCC(=O)O)C1=CC=CC=C1 Z2218555953 [0,1,0,0,0,1|2,0,0]=4 261 B15R1.656 CCN(CC(=O)O)CC1=CC=C(C=C1)Cl Z1259335829 [0,1,0,0,0,1|2,0,0]=4 262 B15R1.670 CCN(CC(=O)O)CC1=C(C=CC=C1)Cl Z1459970006 [0,1,0,0,0,1|2,0,0]=4 263 B15R1.1310 C=CCN(CC(=O)O)CC1=CC=CC=C1 Z1459975748 [0,1,0,0,0,1|2,0,0]=4 264 B15R1.1310 NCCN(CC(=O)O)CC1=CC=CC=C1 Z2901372769 [0,1,0,0,0,1|1,0,0]=3 265 B15R1.3565 CC(C)N(CC(=O)O)CC1=CC=CC=C1 Z1459956807 [0,1,0,0,0,1|2,0,0]=4 266 B15R1.3565 O=C(O)CC(CC1=CC=CC=C1)C(=O)O Z1418939706 [0,1,0,0,0,1|1,0,1]=4 267 B15R1.626 N#CCN(CC(=O)O)C1=CC(=CC=C1)Cl Z594205440 [0,2,0,0,0,0|1,0,1]=4 268 B15R1.3197 CCC(=O)N(CC(=O)O)C1=CC=CC=C1 Z594129578 [0,2,0,0,0,0|2,0,0]=4 269 B15R1.9083 CC(=O)CC(C[N+](=O)[O-])C1=CC=CC=C1 Z1650186540 [0,2,0,0,0,0|1,0,1]=4 270 B15R1.9083 CC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z56860295 [0,2,0,0,0,0|1,0,1]=4 271 B15R1.9083 NC(=O)NC(CC(=O)O)C1=CC=CC=C1 Z221523586 [0,2,0,0,0,0|0,0,1]=3 272 B15R1.9083 O=C(O)CC(CC(=O)O)C1=CC=CC=C1 Z1508914976 [0,2,0,0,0,0|1,0,0]=3 273 B15R1.9083 O=C(O)CN(CC(=O)O)C1=CC=CC=C1 Z1665470557 [0,2,0,0,0,0|2,0,0]=4 274 B15R1.2 CCC(CC(=O)O)C1=CC=C(C=C1)OC Z352783198 [0,2,0,0,0,0|1,0,0]=3 275 B15R1.922 CC(C)N(CC(=O)O)C1=CC=C(C=C1)F Z1459989807 [0,2,0,0,0,0|2,0,0]=4 276 B15R1.922 CC1=CC=C(C=C1)C(CC(=O)O)C(=O)O Z1508923866 [0,2,0,0,0,0|1,0,1]=4 277 B15R1.922 O=C(O)CC(C(=O)O)C1=CC=C(C=C1)Cl Z1509470023 [0,2,0,0,0,0|1,0,1]=4 278 B15R1.922 O=C(O)CC(C1=CC=C(C=C1)F)C(F)F Z2733077694 [0,2,0,0,0,0|1,0,0]=3 279 B15R1.3827 COC(=O)NC(CF)C1=CC(=CC=C1)Cl Z3622742774 [0,2,0,0,0,0|2,0,0]=4 280 B15R1.1257 CCOC(=O)NC(CN)C1=CC=CC=C1 Z285926096 [0,2,0,0,0,0|1,0,0]=3 281 B15R1.349 CC1=C(C=CC=C1)N(CC(=O)O)C(C)C Z1459993438 [0,2,0,0,0,0|2,0,0]=4 282 B15R1.349 O=C(O)CC(C(=O)O)C1=C(C=CC=C1)F Z1138835941 [0,2,0,0,0,0|1,0,1]=4 283 B15R1.349 O=C(O)CC(C1=C(C=CC=C1)F)C(F)F Z2733077695 [0,2,0,0,0,0|1,0,0]=3 284 B15R1.9085 O=C(O)CC(C1=CC=CC=C1)C(F)(F)F Z1095353332 [0,2,0,0,0,0|1,0,0]=3 285 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [1,0,0,1,0,0|1,0,1]=4 286 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [1,0,0,1,0,0|1,0,1]=4 287 B13R2.10 O=C1CC(=NN1)C2=CC=CC=C2 Z50145997 [1,0,0,1,0,0|1,0,1]=4 288 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [1,0,0,1,0,0|0,0,0]=2 289 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [1,0,0,1,0,0|1,0,0]=3 290 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [1,0,0,1,0,0|1,0,0]=3 291 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [1,0,0,1,0,0|1,0,0]=3 292 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [1,0,0,1,0,0|2,0,0]=4 293 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [1,0,0,1,0,0|2,0,0]=4 294 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [1,0,0,1,0,0|1,0,0]=3 295 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [1,0,0,1,0,0|1,0,1]=4 296 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [1,0,0,1,0,0|1,0,0]=3 297 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [1,0,0,1,0,0|0,0,1]=3 298 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,1,0,0|1,0,0]=3 299 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,1,0,0|2,0,0]=4 300 B13R2.679 NCC(C1=CC=CC=C1)C2CC2 Z2205958644 [1,0,0,1,0,0|1,0,1]=4 301 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [1,0,0,1,0,0|1,0,1]=4 302 B13R2.1613 NCC1CCOC2=C1C=CC=C2 Z415655034 [1,0,0,1,0,0|0,0,1]=3 303 B13R2.1613 NCC1COCC2=C1C=CC=C2 Z3476924979 [1,0,0,1,0,0|2,0,0]=4 304 B13R2.2539 NCC1(CCC1)C2=CC=CC=C2 Z212171864 [1,0,0,1,0,0|1,0,1]=4 305 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [1,0,0,1,0,0|1,0,0]=3 306 B13R2.2931 NCC1OB(C2=C1C=CC=C2)O Z2469628196 [1,0,0,1,0,0|2,0,0]=4 307 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 Z1123697907 [1,0,0,1,0,0|1,0,0]=3 308 B13R2.238 N[C@@]1(C[C@@H](C1)O)C2=CC=CC=C2 Z2791095871 [1,0,0,1,0,0|1,0,1]=4 309 B13R2.328 CC1CC(=O)NC2=C1C=CC=C2 Z1198279631 [1,0,0,1,0,0|1,0,0]=3 310 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [1,0,0,1,0,0|0,0,0]=2 311 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [1,0,0,1,0,0|0,0,0]=2 312 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [1,0,0,1,0,0|1,0,0]=3 313 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [1,0,0,1,0,0|1,0,0]=3 314 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [1,0,0,1,0,0|1,0,0]=3 315 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [1,0,0,1,0,0|0,0,0]=2 316 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [1,0,0,1,0,0|0,0,0]=2 317 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [1,0,0,1,0,0|1,0,1]=4 318 B13R2.12159 NC1CS(=O)(=O)C2=C1C=CC=C2 Z1511513951 [1,0,0,1,0,0|1,0,1]=4 319 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,1,0|2,0,0]=4 320 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,1,1,0|1,0,0]=3 321 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,1,1,0|0,0,2]=4 322 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,1,1,0|1,0,1]=4 323 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,1,0|1,0,0]=3 324 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,1,0|1,0,0]=3 325 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,1,0|1,0,0]=3 326 B13R2.135 CCC1C(=O)NC2=C1C=CC=C2 Z1201625783 [0,0,0,1,1,0|2,0,0]=4 327 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 Z68591096 [0,0,0,1,1,0|2,0,0]=4 328 B13R2.439 O=C(O)C1(CC1)C2=CC=CC=C2 Z104485900 [0,0,0,1,1,0|1,0,0]=3 329 B13R2.439 O=C(O)C1(CC1)C2=CC=NC=C2 Z3477424490 [0,0,0,1,1,0|2,0,0]=4 330 B13R2.439 O=C(O)C1(CC1)C2=CN=CC=C2 Z1966486321 [0,0,0,1,1,0|2,0,0]=4 331 B13R2.439 O=C(O)C1(CC1)C2=NC=CC=C2 Z2630878302 [0,0,0,1,1,0|2,0,0]=4 332 B15R2.6 CC(=O)NCC1CCC2=C1C=CC=C2 Z1173241291 [0,0,0,1,0,1|2,0,0]=4 333 B15R2.6 NC(=O)NCC1CSC2=C1C=CC=C2 Z2352559472 [0,0,0,1,0,1|2,0,0]=4 334 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,1,0,1|0,0,2]=4 335 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,1,0,1|1,0,0]=3 336 B15R2.59 NC(=O)C1CC(CN1)C2=CC=CC=C2 Z3102427689 [0,0,0,1,0,1|1,0,0]=3 337 B15R2.59 NC(=O)N1CCC(C1)C2=CC=CC=C2 Z940555700 [0,0,0,1,0,1|2,0,0]=4 338 B15R2.59 NC(=O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z2053902363 [0,0,0,1,0,1|2,0,0]=4 339 B15R2.59 O=C(O)C1=NOC(C1)C2=CC=CC=C2 Z608067092 [0,0,0,1,0,1|1,0,1]=4 340 B15R2.59 O=C(O)C1CCC(C1)C2=CC=CC=C2 Z1255391877 [0,0,0,1,0,1|1,0,0]=3 341 B15R2.59 O=C(O)C1CCN(C1)C2=CC=CC=C2 Z1198235403 [0,0,0,1,0,1|2,0,0]=4 342 B15R2.59 O=C(O)C1CSC(N1)C2=CC=CC=C2 Z197509452 [0,0,0,1,0,1|2,0,0]=4 343 B15R2.59 O=C(O)[C@@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2309988547 [0,0,0,1,0,1|1,0,0]=3 344 B15R2.59 O=C(O)[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2620379353 [0,0,0,1,0,1|1,0,0]=3 345 B15R2.59 O=C(O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z1861964101 [0,0,0,1,0,1|1,0,0]=3 346 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [0,0,0,1,0,1|2,0,0]=4 347 B15R2.5167 NCC1(CCC(=O)N1)C2=CC=CC=C2 Z1837330830 [0,0,0,1,0,1|1,0,0]=3 348 B15R2.5167 O=C1CC(CN1)(CO)C2=CC=CC=C2 Z2235386865 [0,0,0,1,0,1|2,0,0]=4 349 B15R2.89224 NCC1CCS(=O)(=O)C2=C1C=CC=C2 Z2724345727 [0,0,0,1,0,1|1,0,1]=4 350 B15R2.31 O=C1CC(CCN1)CC2=CC=CC=C2 Z1509151018 [0,0,0,1,0,1|2,0,0]=4 351 B15R2.629 O=C(O)CC1CC2=C(C1=O)C=CC=C2 Z1262511059 [0,0,0,1,0,1|1,0,1]=4 352 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 Z1201622714 [0,0,0,1,0,1|2,0,0]=4 353 B15R2.1241 O=C(O)[C@@H]1CC[C@@H]1CC2=CC=CC=C2 Z3690696002 [0,0,0,1,0,1|1,0,0]=3 354 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [0,0,0,1,0,1|1,0,0]=3 355 B15R2.1668 O=C(O)CC1CCC2=C(N1)C=CC=C2 Z3351996611 [0,0,0,1,0,1|1,0,0]=3 356 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 Z368412990 [0,0,0,1,0,1|0,0,0]=2 357 B15R2.1668 O=C(O)CC1COC2=C(O1)C=CC=C2 Z1198164044 [0,0,0,1,0,1|1,0,0]=3 358 B15R2.1668 O=C(O)CC1CSC2=C(O1)C=CC=C2 Z1508956602 [0,0,0,1,0,1|1,0,0]=3 359 B15R2.1675 O=C(O)CC1(CC1)OC2=CC=CC=C2 Z3023343135 [0,0,0,1,0,1|1,0,0]=3 360 B15R2.21244 NCC1CS(=O)(=O)C2=C(O1)C=CC=C2 Z2379490790 [0,0,0,1,0,1|1,0,1]=4 361 B15R2.27 CC1=CC(=O)CC(C1)C2=CC=CC=C2 Z1336733850 [0,1,0,1,0,0|2,0,0]=4 362 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,1,0,1,0,0|2,0,0]=4 363 B15R2.27 O=C1CC(CC(=O)N1)C2=CC=CC=C2 Z1095368811 [0,1,0,1,0,0|2,0,0]=4 364 B15R2.63 NC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2301542050 [0,1,0,1,0,0|1,0,0]=3 365 B15R2.63 O=C(O)C1CCCC1C2=CC=CC=C2 Z1255486781 [0,1,0,1,0,0|1,0,0]=3 366 B15R2.63 O=C(O)C1CCCN1C2=CC=CC=C2 Z1416174150 [0,1,0,1,0,0|2,0,0]=4 367 B15R2.63 O=C(O)C1CCNC1C2=CC=CC=C2 Z2234185678 [0,1,0,1,0,0|1,0,0]=3 368 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z2306980862 [0,1,0,1,0,0|1,0,0]=3 369 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2309893016 [0,1,0,1,0,0|1,0,0]=3 370 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=NC=C2 Z2311280998 [0,1,0,1,0,0|2,0,0]=4 371 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2306850629 [0,1,0,1,0,0|0,0,0]=2 372 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2=CC=NC=C2 Z2306851221 [0,1,0,1,0,0|1,0,0]=3 373 B15R2.63 O=C(O)[C@@H]1CSC[C@H]1C2=CC=CC=C2 Z2429425592 [0,1,0,1,0,0|1,0,0]=3 374 B15R2.63 O=C(O)[C@@H]1NCC[C@H]1C2=CC=CC=C2 Z2568676758 [0,1,0,1,0,0|0,0,0]=2 375 B15R2.63 O=C(O)[C@@H]1OCC[C@@H]1C2=CC=CC=C2 Z2309897757 [0,1,0,1,0,0|1,0,0]=3 376 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,1,0,1,0,0|2,0,0]=4 377 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 Z1233209527 [0,1,0,1,0,0|2,0,0]=4 378 B15R2.19832 O=C(O)CC1(CNC1)C2=CC=CC=C2 Z4685967056 [0,1,0,1,0,0|0,0,0]=2 379 B15R2.53147 CN1N=C(C2=C1C=CC=C2)CC(=O)O Z1268483039 [0,1,0,1,0,0|1,0,1]=4 380 B15R2.53147 O=C(O)CC1CC(=O)C2=C1C=CC=C2 Z1255486798 [0,1,0,1,0,0|1,0,0]=3 381 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 Z1198153244 [0,1,0,1,0,0|1,0,1]=4 382 B15R2.53147 O=C(O)CC1OB(C2=C1C=CC=C2)O Z1262523998 [0,1,0,1,0,0|2,0,0]=4 383 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,1,0,1,0,0|1,0,1]=4 384 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 Z352783024 [0,1,0,1,0,0|1,0,0]=3 385 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,1,0,1,0,0|0,0,0]=2 386 B15R2.68122 O=C(O)CC1CCOC2=C1C=CC=C2 Z352783086 [0,1,0,1,0,0|1,0,0]=3 387 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 Z1278581695 [0,1,0,1,0,0|1,0,0]=3 388 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 Z1098340600 [0,1,0,1,0,0|1,0,0]=3 389 B15R2.68122 O=C(O)C[C@@H]1CCCC2=C1C=CC=C2 Z1262527526 [0,1,0,1,0,0|1,0,0]=3 390 B15R2.68122 O=C(O)C[C@H]1CCCC2=C1C=CC=C2 Z1262518724 [0,1,0,1,0,0|1,0,0]=3 391 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z940713560 [0,1,0,1,0,0|0,0,2]=4 392 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br Z978942580 [0,1,0,1,0,0|0,0,2]=4 393 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl Z940713564 [0,1,0,1,0,0|0,0,2]=4 394 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F Z927291412 [0,1,0,1,0,0|0,0,2]=4 395 B15R2.377 O=C(O)CC1CCC2=C1C=CC(=C2)Br Z1269123210 [0,1,0,1,0,0|1,0,0]=3 396 B15R2.377 O=C(O)CC1COC2=C1C=CC(=C2)O Z1255374187 [0,1,0,1,0,0|1,0,0]=3 397 B15R2.22666 O=C1CC(C2=C(N1)C=C(C=C2)F)CO Z2751252776 [0,1,0,1,0,0|2,0,0]=4 398 B15R2.30 O=C1CCCC(C1)C2=CC=CC(=C2)Cl Z1233207245 [0,1,0,1,0,0|2,0,0]=4 399 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,1,0,1,0,0|0,0,2]=4 400 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,1,0,1,0,0|0,0,2]=4 401 B15R2.9410 O=C(O)CC1CCC2=C1C=C(C=C2)O Z1486008032 [0,1,0,1,0,0|1,0,0]=3 402 B15R2.9410 O=C([O-])CC1CNC2=C1C=C(C=C2)Br Z4135118208 [0,1,0,1,0,0|0,0,1]=3 403 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O Z1198148795 [0,1,0,1,0,0|0,0,2]=4 404 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2Br Z1269161790 [0,1,0,1,0,0|0,0,2]=4 405 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F Z1198266463 [0,1,0,1,0,0|0,0,2]=4 406 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)N Z4450203711 [0,1,0,1,0,0|2,0,0]=4 407 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,1,0,1,0,0|1,0,0]=3 408 B15R2.4190 NCC1=C(SC2=C1C=CC=C2)C(=O)O Z4879384327 [0,1,0,1,0,0|0,0,2]=4 409 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [0,1,0,1,0,0|0,0,2]=4 410 B15R2.4 COC(=O)CC1CNC2=C1C=CC=C2 Z979710660 [0,1,0,1,0,0|0,0,0]=2 411 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [0,1,0,1,0,0|0,0,2]=4 412 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 Z1262629795 [0,1,0,1,0,0|2,0,0]=4 413 B15R2.324 CC1(CC(=O)OC1=O)C2=CC=CC=C2 Z96091867 [0,1,0,1,0,0|1,0,1]=4 414 B15R2.327 CC1(NC(=O)CC1C2=CC=CC=C2)C Z1270256397 [0,1,0,1,0,0|2,0,0]=4 415 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [0,1,0,1,0,0|0,0,2]=4 416 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,1,0,1,0,0|0,0,1]=3 417 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [0,1,0,1,0,0|1,0,1]=4 418 B15R2.16311 CC1([C@@H]([C@H]1C2=CC=CC=C2)C(=O)O)C Z2309894315 [0,1,0,1,0,0|1,0,0]=3 419 B15R2.16311 O=C(O)[C@@H]1[C@H](C1(F)F)C2=CC=CC=C2 Z2309898832 [0,1,0,1,0,0|1,0,0]=3 420 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,1,0,0|0,0,2]=4 421 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br Z1269131875 [0,1,0,1,0,0|0,0,2]=4 422 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl Z1269128767 [0,1,0,1,0,0|0,0,2]=4 423 B15R2.33554 NCC1(CC(=O)C1)C2=C(C=CC=C2)Br Z3267957684 [0,1,0,1,0,0|1,0,0]=3 424 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [1,0,0,0,1,0|0,0,2]=4 425 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,1,0|1,0,0]=3 426 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,1,0|1,0,0]=3 427 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [1,0,0,0,1,0|2,0,0]=4 428 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,1,0|1,0,0]=3 429 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [1,0,0,0,1,0|1,0,0]=3 430 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [1,0,0,0,1,0|2,0,0]=4 431 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [1,0,0,0,1,0|1,0,1]=4 432 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,0,0,1,0|1,0,1]=4 433 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [1,0,0,0,1,0|1,0,0]=3 434 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [1,0,0,0,1,0|1,0,0]=3 435 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,1,0|2,0,0]=4 436 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,1,0|1,0,0]=3 437 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [1,0,0,0,1,0|2,0,0]=4 438 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,0,0,0,1,0|0,0,0]=2 439 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [1,0,0,0,1,0|1,0,0]=3 440 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,0,0,0,1,0|0,0,0]=2 441 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,0,0,0,1,0|0,0,0]=2 442 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [1,0,0,0,1,0|1,0,1]=4 443 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,0,0,0,1,0|1,0,0]=3 444 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,0,0,0,1,0|1,0,0]=3 445 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,1,0|1,0,0]=3 446 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,0,0,0,1,0|1,0,0]=3 447 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,1,0|1,0,0]=3 448 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,1,0|1,0,0]=3 449 B11R1.77 CC(CC(=O)O)N1C=CC=C1 Z398989776 [1,0,0,0,1,0|1,0,0]=3 450 B11R1.77 CC(CC(=O)O)N1C=CC=N1 Z431537238 [1,0,0,0,1,0|2,0,0]=4 451 B11R1.77 CC(CC(=O)O)N1C=CN=C1 Z431537246 [1,0,0,0,1,0|2,0,0]=4 452 B11R1.77 NC(CC(=O)O)C1=CC=CS1 Z221523588 [1,0,0,0,1,0|1,0,0]=3 453 B11R1.77 NC(CC(=O)O)C1=CSC=C1 Z285185092 [1,0,0,0,1,0|1,0,0]=3 454 B11R1.77 NC(CC(=O)O)C1=NC=CS1 Z1255465757 [1,0,0,0,1,0|2,0,0]=4 455 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [1,0,0,0,0,1|2,0,0]=4 456 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [1,0,0,0,0,1|0,0,0]=2 457 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [1,0,0,0,0,1|1,0,0]=3 458 B13R1.45 CN(CCC(=O)O)C1=CC=NC=C1 Z1762658191 [1,0,0,0,0,1|2,0,0]=4 459 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [1,0,0,0,0,1|1,0,0]=3 460 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [1,0,0,0,0,1|2,0,0]=4 461 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [1,0,0,0,0,1|2,0,0]=4 462 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [1,0,0,0,0,1|0,0,0]=2 463 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [1,0,0,0,0,1|1,0,1]=4 464 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [1,0,0,0,0,1|1,0,1]=4 465 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [1,0,0,0,0,1|1,0,0]=3 466 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [1,0,0,0,0,1|0,0,0]=2 467 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [1,0,0,0,0,1|1,0,0]=3 468 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)O Z513624620 [0,0,0,0,1,1|1,0,0]=3 469 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)N Z727617676 [0,0,0,0,1,1|2,0,0]=4 470 B13R1.418 CCC(NC1=CC=CC=C1)C(=O)O Z274534828 [0,0,0,0,1,1|1,0,0]=3 471 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O Z104484470 [0,0,0,0,1,1|1,0,0]=3 472 B13R1.418 CCC(SC1=CC=CC=C1)C(=O)O Z149157470 [0,0,0,0,1,1|1,0,0]=3 473 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O Z446011606 [0,0,0,0,1,1|2,0,0]=4 474 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O Z1258977185 [0,0,0,0,1,1|2,0,0]=4 475 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O Z1258578382 [0,0,0,0,1,1|0,0,0]=2 476 B13R1.418 NCC(CC1=CC=NC=C1)C(=O)O Z2382197013 [0,0,0,0,1,1|1,0,0]=3 477 B13R1.418 NCC(CC1=CN=CC=C1)C(=O)O Z1601464443 [0,0,0,0,1,1|1,0,0]=3 478 B13R1.418 NCC(CC1=NC=CC=C1)C(=O)O Z1259273372 [0,0,0,0,1,1|1,0,0]=3