0 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C Z1255364872 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.166 CC(C)C1CCC(=O)CC1C Z1509046522 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.166 CC(C)N1CCC(=O)NC1=O Z56346950 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C Z1201619246 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C Z1255438640 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C Z1198149783 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C Z1513594359 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C Z1201618593 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 Z1251353210 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.166 CC1CCC(C(=O)C1)C(C)C Z56347247 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.166 CC1CCC(C(=O)N1)C(=O)O Z1262552841 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC1CCC(C(C1)N)C(C)C Z239626690 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.13 CC(C)C1CCC(=O)CC1 Z959274754 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.13 CC(C)C1CCC(CC1)N Z995154766 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 CC(C)C1CCC(CC1)O Z995158660 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)N Z3300621003 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.13 CC(N)C1CCC(CC1)F Z2526705319 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(N)C1CCN(CC1)C Z413860142 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.13 CN(C)[C@H]1CC[C@@H](CC1)N Z3244810239 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)N Z2310699352 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.25 CC[C@@H]1CC[C@@H](NC1=O)C Z2467219756 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.25 CC[C@@H]1CC[C@H](NC1=O)C Z2472577622 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.61 CC(C)C1CCCCC1=O Z993018022 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.61 CC(C)C1CCCCC1O Z992949104 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.61 CC(C)C1CCCNC1=O Z1203747730 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.61 CC(C)C1CNCCN1C Z1250203494 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.61 CC(C)C1NCCNC1=O Z978935230 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 CC(C)N1CCNCC1=O Z1625822286 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.61 CN(C)C1CCCCC1=O Z447865324 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.61 CN(C)C1CCCCC1N Z285186990 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1C=O)C Z1511744535 [0,1,0,0,0,0|0,0,1]=2 32 B12R1.57 CC1CCC(C(C1)CN)C(C)C Z1695784322 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.126 CC(C)(C)N1CCC(=O)CC1=O Z1255374715 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,0,1,0,0,0|0,0,2]=3 35 B10R0.17 CC(=O)N(CCC#N)C(C)C Z835450576 [0,0,1,0,0,0|2,0,1]=4 36 B10R0.17 CCCNC(C(=O)O)C(C)C Z445226212 [0,0,1,0,0,0|2,0,0]=3 37 B10R0.17 CSCCC(C(=O)O)N(C)C Z565906654 [0,0,1,0,0,0|3,0,0]=4 38 B10R0.101 CCOC(=O)C(C#N)C(C)C Z878459772 [0,0,1,0,0,0|2,0,1]=4 39 B12R2.766 CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C Z1123686398 [0,0,0,1,0,0|0,0,2]=3 40 B12R2.774 CC(C)[C@]12C[C@H]1C(=O)NC2=O Z2895194676 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.2427 O=C(O)C12CCC(C1)CC2=O Z1255491307 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.59 CC(C)N1CC(CC1=O)N Z1262327502 [0,0,0,0,1,0|2,0,0]=3 43 B10R1.59 CC1=NN(C(=O)C1)C(C)C Z802539862 [0,0,0,0,1,0|2,0,1]=4 44 B10R1.194 CC(C)N1CCC(C1=O)N Z825514682 [0,0,0,0,1,0|2,0,0]=3 45 B12R1.233 CC(C)CC1CCC(=O)NC1=O Z1201051604 [0,0,0,0,0,1|2,0,1]=4 46 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [1,0,1,0,0,0|1,0,0]=3 47 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [1,0,1,0,0,0|2,0,0]=4 48 B9R0.23 CC(C)OC(=O)C(C)CN Z1267885907 [1,0,1,0,0,0|2,0,0]=4 49 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.23 CNC(C)C(=O)OC(C)C Z993898430 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.53 CC(C)CC(C)CC(C)C Z1255415595 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.53 CC(C)CC(N)CC(C)C Z1263714098 [1,0,1,0,0,0|1,0,1]=4 53 B9R0.53 CC(C)NC(=O)NC(C)C Z94792417 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.53 CC(N)CC(=O)NC(C)C Z594220276 [1,0,1,0,0,0|2,0,0]=4 55 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [1,0,1,0,0,0|2,0,0]=4 56 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [1,0,1,0,0,0|1,0,0]=3 57 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [1,0,1,0,0,0|1,0,0]=3 58 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [1,0,1,0,0,0|1,0,0]=3 59 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [1,0,1,0,0,0|2,0,0]=4 60 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.4 CCNCC(=O)NC(C)C Z46194033 [1,0,1,0,0,0|2,0,0]=4 63 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.34 CC[C@@H](C)NC(=O)CCN Z2939404203 [1,0,1,0,0,0|2,0,0]=4 65 B9R0.29 CNC(C(=O)OC)C(C)C Z3301588022 [1,0,1,0,0,0|2,0,0]=4 66 B9R0.37 CCC(CC)C(=O)CC#N Z360167350 [1,0,1,0,0,0|1,0,1]=4 67 B9R0.37 CCN(CC)C(=O)CCN Z1449750808 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.37 CCN(CC)C(=O)CNC Z56347540 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.37 CCOC(=O)C(CC)CC Z425641124 [1,0,1,0,0,0|1,0,0]=3 70 B9R0.37 CCSC(=O)N(CC)CC Z1198149397 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.1 CC1CCC(NC1)CN Z3492445324 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 CCC1COC(CN1)C Z56968897 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [2,0,0,0,0,0|1,0,1]=4 75 B9R1.1 C[C@@H]1CC[C@H](OC1)CN Z3770977955 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(C)C1CCCCN1 Z1269638432 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.6 CC(C)C1CCNCC1 Z1262398542 [2,0,0,0,0,0|1,0,1]=4 79 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.6 CC(C)C1CNCCS1 Z1270133000 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.6 CC(N)C1CCCCC1 Z446020926 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.6 CC(O)C1CCCCC1 Z445987098 [2,0,0,0,0,0|1,0,1]=4 85 B9R1.6 CC(O)C1CCCCN1 Z995042172 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.15 CCC1CCCCC1N Z368844574 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.15 CCC1CCCCC1O Z104476198 [2,0,0,0,0,0|0,0,2]=4 89 B9R1.15 CCC1CCCNC1=O Z1203731521 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.15 CCC1NCCNC1=O Z57663834 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.15 CCN1CCCNC1=O Z1203733831 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.15 CCN1CCNCC1=O Z975809904 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.15 CNC1CCCNC1=O Z1795818556 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 CSC1CCCCC1=O Z732208578 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.15 N#CC1CCCCC1=O Z1137167009 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.15 NCC1CCCNC1=O Z2289798362 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.15 O=C1NCCCC1CO Z1203732010 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [2,0,0,0,0,0|0,0,0]=2 99 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.69 CC1CCC(C(C1)O)C Z1201617039 [2,0,0,0,0,0|0,0,2]=4 101 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 CN1CCN(C(=O)C1)C Z4270926764 [2,0,0,0,0,0|2,0,0]=4 103 B11R0.6 CC(=CCCC(C)CC(=O)N)C Z1255379203 [0,1,1,0,0,0|0,0,2]=4 104 B11R0.6 CC(=CCCC(C)CC(=O)O)C Z1255423445 [0,1,1,0,0,0|0,0,2]=4 105 B11R0.308 CC(C)C(Br)C(=O)NC(C)(C)C Z279598960 [0,1,1,0,0,0|2,0,0]=4 106 B11R0.308 CC(C)C(N)C(=O)OC(C)(C)C Z1266823147 [0,1,1,0,0,0|2,0,0]=4 107 B11R0.153 CCCCCC(C(=O)O)C(C)C Z756391622 [0,1,1,0,0,0|1,0,0]=3 108 B11R0.110 CSC(C)CC(=O)N[C@H](C)CN Z2465301136 [0,1,1,0,0,0|2,0,0]=4 109 B11R0.53 CCCC(=O)C(CC)C(=O)OC Z839827806 [0,1,1,0,0,0|1,0,1]=4 110 B11R1.3 CC(C)C1=CCC(CC1)C=O Z1511819317 [1,1,0,0,0,0|0,0,2]=4 111 B11R1.3 CC(C)C1CCC(CC1)C#N Z995157958 [1,1,0,0,0,0|0,0,2]=4 112 B11R1.3 CC(C)C1CCC(CC1)C=O Z1268606422 [1,1,0,0,0,0|0,0,2]=4 113 B11R1.3 CC(C)C1CCC(CC1)CN Z995157962 [1,1,0,0,0,0|0,0,1]=3 114 B11R1.3 CC(C)C1CCC(CC1)CO Z1255438893 [1,1,0,0,0,0|0,0,1]=3 115 B11R1.3 CC(C)N1CCC(CC1)CN Z3244926550 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.3 CNC1CCN(CC1)C(C)C Z102766948 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.19 CC(C)(C)C1CCC(CC1)O Z104477300 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.19 CC(C)(O)C1CCC(CC1)O Z1897566822 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.19 CC(C)(O)[C@H]1CC[C@H](CC1)N Z4307100631 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.21 CC(C)C1CCC(C(C1)O)C Z1509104319 [1,1,0,0,0,0|0,0,1]=3 121 B11R1.21 CC(C)[C@@H]1C[C@H]([C@@H](CO1)F)N Z5183298884 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.22 CC1CCN(CC1)C(C)CN Z228576914 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.87 CC(C)(C)C1CCCCC1=O Z104480142 [1,1,0,0,0,0|0,0,0]=2 124 B11R1.87 CC(C)(C)C1CCCCC1N Z239626678 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.87 CC(C)(C)C1NCCNC1=O Z978935236 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.87 CS(=O)(=O)C1CCCCC1=O Z957336742 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.222 CC(CN)N1CCCCC1=O Z2517097576 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.50 CC(C)N1CC(CC1=O)CO Z1198175683 [0,1,0,0,1,0|1,0,0]=3 129 B11R1.646 CC(C)(C)N1CC(CC1=O)N Z1318147526 [0,1,0,0,1,0|2,0,0]=4 130 B13R1.165 CC(C)[C@@H]1CC[C@@H](C[C@H]1C(=O)O)C Z3774619187 [0,2,0,0,0,0|0,0,1]=3 131 B13R1.7992 CC(C)C1CCC(C(C1O)O)(C)O Z2050571702 [0,2,0,0,0,0|0,0,2]=4 132 B11R1.342 CC1(CC(CCO1)CC=O)C Z1511783289 [0,0,1,1,0,0|1,0,0]=3 133 B11R1.342 CC1(CCCC(C1)CC=O)C Z1198149195 [0,0,1,1,0,0|0,0,0]=2 134 B11R1.342 CC1(CCCC(C1)CCN)C Z2740416911 [0,0,1,1,0,0|1,0,1]=4 135 B11R1.424 CC1=C(C(CCC1)(C)C)C=O Z1255386953 [0,0,1,1,0,0|0,0,2]=4 136 B11R1.565 CC1CCNC(CC1)C(C)C Z1217215083 [0,0,1,1,0,0|1,0,1]=4 137 B11R1.143 CC(=O)N1CCCOCC1C Z1478811949 [0,0,1,1,0,0|2,0,0]=4 138 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,0,1,1,0,0|2,0,0]=4 139 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,0,1,1,0,0|2,0,0]=4 140 B11R1.1385 CN(C)C1(CCCC1)C(=O)O Z448002930 [0,0,1,1,0,0|2,0,0]=4 141 B11R1.815 CCC(C)NC(=O)C1CC1C Z31442396 [0,0,1,1,0,0|1,0,0]=3 142 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Z2235820494 [0,0,1,1,0,0|2,0,0]=4 143 B11R2.64 NC1CCC2CCC1OC2 Z2900673633 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.533 CC1([C@H]2CC[C@H]([C@@H]1C2)N)C Z4526189782 [1,0,0,1,0,0|1,0,1]=4 145 B11R2.746 CC(C)[C@@]12CC[C@@H]([C@@H]1C2)N Z4020196461 [1,0,0,1,0,0|1,0,1]=4 146 B11R2.1839 CC(N)C12CCC(C1)CC2 Z3445164898 [1,0,0,1,0,0|1,0,1]=4 147 B11R2.2357 CC1([C@@H]2C=C[C@]1(CC2)C)C Z2379088819 [1,0,0,1,0,0|0,0,1]=3 148 B11R2.125 CC1CNC2(CC2)C(=O)N1 Z4219311469 [1,0,0,1,0,0|2,0,0]=4 149 B11R2.1 CC1CNC2C1CCCC2 Z1202249435 [1,0,0,1,0,0|1,0,1]=4 150 B11R2.55 O=C1CCCCC1C2CC2 Z1233201574 [1,0,0,1,0,0|0,0,0]=2 151 B11R2.55 O=C1CNCCN1C2CC2 Z1198172656 [1,0,0,1,0,0|2,0,0]=4 152 B11R2.356 NC1CC(=O)N(C1)C2CC2 Z1335657819 [0,0,0,1,1,0|2,0,0]=4 153 B11R2.1073 NC1CCN(C1=O)C2CC2 Z1820077996 [0,0,0,1,1,0|2,0,0]=4 154 B11R2.1073 O=C1C(CCN1C2CC2)O Z2686458500 [0,0,0,1,1,0|2,0,0]=4 155 B13R2.16542 CC12CCC(C1(C)C)C(=O)C2=O Z56943556 [0,1,0,1,0,0|0,0,1]=3 156 B9R0.79 CC(C)C(N)C(=O)N(C)C Z317076156 [0,0,1,0,1,0|2,0,0]=4 157 B9R0.79 CC(C)C(O)C(=O)N(C)C Z1813165986 [0,0,1,0,1,0|2,0,0]=4 158 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [0,0,1,0,1,0|2,0,0]=4 159 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [1,0,0,0,1,0|2,0,0]=4 160 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [1,0,0,0,1,0|2,0,0]=4 161 B9R1.22 CCN1CC(CC1=O)N Z2235810233 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.132 CNC1CCN(C1=O)C Z2044707009 [1,0,0,0,1,0|2,0,0]=4 163 B9R1.41 CC(C)C1CCCC1=O Z993018308 [1,0,0,0,1,0|0,0,0]=2 164 B9R1.41 CC(C)C1CCCC1N Z3278384105 [1,0,0,0,1,0|1,0,1]=4 165 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [1,0,0,0,1,0|1,0,0]=3 166 B11R0.149 CC(C)C[C@H](N)C(=O)OC(C)C Z1267881744 [0,0,1,0,0,1|2,0,0]=4 167 B11R0.56 CCOC(=O)C(CC(C)C)NC Z1809367705 [0,0,1,0,0,1|2,0,0]=4 168 B11R0.56 CCOC(=O)C(CN)CC(C)C Z2234631215 [0,0,1,0,0,1|2,0,0]=4 169 B11R1.20 CC(C)OC1CCC(CC1)N Z2650510339 [1,0,0,0,0,1|1,0,1]=4 170 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [1,0,0,0,0,1|1,0,1]=4 171 B11R1.86 CC(C)CN1CCNCC1=O Z975809902 [1,0,0,0,0,1|2,0,0]=4 172 B11R1.86 CN(C)CC1CCCCC1=O Z56770961 [1,0,0,0,0,1|1,0,0]=3