0 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(=O)C(C)N Z1263529525 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.5 CC(Br)C(=O)O Z57127555 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(C)C(=N)N Z381357616 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.5 CC(C)C(=O)N Z57046209 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.5 CC(C)C(=O)O Z104473380 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 CC(Cl)C(=O)N Z56924427 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.5 CC(Cl)C(=O)O Z147646840 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 CC(N)C(=O)N Z54749436 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 CC(N)C(=O)O Z57396987 [0,0,0,0,0,0|0,0,2]=2 12 B5R0.5 CC(O)C(=N)N Z2216711526 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.5 CC(O)C(=O)N Z57206008 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.5 CC(S)C(=O)O Z104477082 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.5 CN(C)C(=N)N Z1839480548 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.5 CN(C)C(=S)N Z56347524 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [0,0,0,0,0,0|0,0,2]=2 18 B5R0.5 C[C@H](N)C(=O)N Z359371050 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.5 C[C@H](N)C(=O)O Z756424912 [0,0,0,0,0,0|0,0,2]=2 20 B5R0.5 NC(=O)C(F)F Z33546481 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.5 NC(=S)C(=S)N Z56347000 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.5 O=C(O)C(F)F Z104474070 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|0,0,2]=3 26 B4R0.1 C=C(Br)CN Z600439032 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C=C(Br)CO Z600440434 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C=CC(=C)C Z104474660 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|0,0,0]=1 30 B4R0.1 C=CC(C)N Z1446855743 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(=O)C=O Z104495190 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(=O)NN Z58981787 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)NO Z59181917 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 CCC(=N)N Z1741969146 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 CCC(=S)N Z241091446 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CNC(=O)C Z32016274 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CNC(=O)N Z56932989 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 COC(=N)N Z1741976783 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 COC(=O)N Z104476722 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CSC(=N)N Z1741980405 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 C[C@@H](N)CO Z346076140 [1,0,0,0,0,0|0,0,3]=4 46 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 ClC=C(Cl)Cl Z104473870 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 N=C(N)CCl Z204878288 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 N=C(N)CN Z3798800325 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 N=C(N)CO Z1259341033 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 N=C(N)NN Z1259217988 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 NC(=O)NO Z1203577934 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|0,0,1]=2 58 B4R0.1 NNC(=O)N Z104473922 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,1,0,0,0,0|0,0,1]=2 62 B6R0.3 CC(=C(F)CN)C Z1203639272 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,1,0,0,0,0|0,0,3]=4 64 B6R0.3 CC(CN)C(=O)O Z431542704 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.3 CC(CO)C(=O)O Z431541400 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.3 CCC(C)C(=O)O Z237374874 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.3 CCC(N)C(=O)O Z104495144 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.3 CCC(O)C(=O)N Z965049008 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CCC(O)C(=O)O Z246073650 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,1,0,0,0,0|0,0,2]=3 71 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.3 CN(C)C(=O)CO Z431952018 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CN(N=O)C(=O)N Z104475776 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.3 CNC(=O)C(C)N Z105197440 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CNC(=O)C(C)O Z431951884 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,1,0,0,0,0|0,0,2]=3 80 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 COC(=O)C(C)N Z56968898 [0,1,0,0,0,0|0,0,2]=3 83 B6R0.3 COC(C)C(=N)N Z1365534351 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 COC(C)C(=O)N Z223645218 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.3 COC(C)C(=O)O Z316258898 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 CSC(C)C(=O)O Z149191750 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.3 NC(CO)C(=O)O Z57396986 [0,1,0,0,0,0|0,0,2]=3 88 B6R0.3 NC(CS)C(=O)O Z966690626 [0,1,0,0,0,0|0,0,2]=3 89 B6R0.3 NCC(=C(Cl)Cl)Cl Z1945984228 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,1,0,0,0,0|0,0,2]=3 91 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,1,0,0,0,0|0,0,2]=3 101 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.7 O=C(O)C(Cl)(Cl)Cl Z104473288 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.7 O=C(O)C(F)(F)Cl Z1270446583 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.7 O=C(O)C(F)(F)F Z1834265899 [0,1,0,0,0,0|2,0,1]=4 107 B6R1.11 C=C(Cl)C1CO1 Z2574917304 [0,0,0,1,0,0|2,0,1]=4 108 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,0,1|1,0,1]=3 109 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,0,1|1,0,0]=2 110 B6R0.2 CC(=CC(=O)N)C Z33546934 [0,0,0,0,0,1|2,0,1]=4 111 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,0,1|1,0,1]=3 112 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,0,1|1,0,1]=3 113 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,0,1|1,0,2]=4 114 B6R0.2 CC(=O)NC(=N)N Z1203578060 [0,0,0,0,0,1|2,0,0]=3 115 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,0,1|2,0,0]=3 116 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,0,1|1,0,2]=4 117 B6R0.2 CC(N)CC(=O)N Z594220690 [0,0,0,0,0,1|1,0,2]=4 118 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,0,1|0,0,2]=3 119 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,0,1|2,0,1]=4 120 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,0,1|3,0,0]=4 121 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,0,1|0,0,2]=3 122 B6R0.2 N=C(N)CC(=N)N Z1357774279 [0,0,0,0,0,1|3,0,0]=4 123 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,0,1|2,0,0]=3 124 B6R0.2 N=C(N)NC(=N)N Z2574927435 [0,0,0,0,0,1|3,0,0]=4 125 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,0,1|2,0,0]=3 126 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,0,1|1,0,0]=2 127 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,0,1|2,0,0]=3 128 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,0,1|2,0,0]=3 129 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,0,1|2,0,0]=3 130 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,0,1|2,0,0]=3 131 B3R0.1 C=CCO Z104473976 [2,0,0,0,0,0|0,0,1]=3 132 B3R0.1 I/C=C/I Z2417817184 [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 N/C=N/O Z156964716 [2,0,0,0,0,0|1,0,0]=3 134 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|0,0,2]=4 135 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|0,0,1]=3 136 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|0,0,1]=3 137 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|0,1,1]=4 138 B3R0.2 NC(=O)N Z104473900 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.1 C/C=C/C(=O)O Z104476026 [1,1,0,0,0,0|0,0,0]=2 141 B5R0.1 CC(=CCN)C Z1827897919 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|0,0,2]=4 143 B5R0.1 CNCC(=O)N Z415678308 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|0,0,1]=3 145 B5R0.1 COCC(=N)N Z1258620054 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 COCC(=O)N Z33546778 [1,1,0,0,0,0|1,0,1]=4 147 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|0,0,2]=4 148 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|0,0,2]=4 149 B5R0.1 N=C(N)CCO Z1198394167 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 N=C(N)NC=O Z1203578554 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 NC(=O)CCO Z431951940 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 NCC=C(Cl)Cl Z2469606492 [1,1,0,0,0,0|2,0,0]=4 153 B5R0.1 NCC=C(F)F Z4511316967 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 NCCC(=O)N Z415728050 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|0,0,1]=3 156 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|0,0,1]=3 157 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|0,0,0]=2 158 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|0,0,2]=4 160 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|0,0,1]=3 161 B5R0.3 C=C(CC)CN Z2238934536 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 C=CC(N)CO Z2146514374 [1,1,0,0,0,0|0,0,2]=4 163 B5R0.3 CC/C(=N/O)/N Z241067842 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.3 CCC(=O)CN Z1203579016 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 CCC(=O)NN Z56886418 [1,1,0,0,0,0|2,0,0]=4 166 B5R0.3 CNC(=O)CN Z57981102 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 CNC(=O)CO Z431952700 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|0,0,1]=3 169 B5R0.3 N=C(CN)NO Z223781376 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 NCC(=O)CN Z1198147360 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 OC/C(=C/I)/I Z4691071538 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.4 C=CS(=O)(=O)C Z608051272 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.2 C=CC(=O)NC(=O)N Z837062938 [0,1,0,0,0,1|2,0,0]=4 175 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,1,0,0,0,1|0,0,2]=4 176 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,1,0,0,0,1|1,0,1]=4 177 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,1,0,0,0,1|0,0,2]=4 178 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,1,0,0,0,1|2,0,0]=4 179 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,1,0,0,0,1|1,0,0]=3 180 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,1,0,0,0,1|2,0,0]=4 181 B7R0.2 COC(=O)/C=C(/C)\N Z104472884 [0,1,0,0,0,1|0,0,1]=3 182 B7R0.2 COC(=O)CC(C)N Z169856728 [0,1,0,0,0,1|0,0,2]=4 183 B7R0.2 NC(=O)NC(=O)CCl Z56851244 [0,1,0,0,0,1|2,0,0]=4 184 B7R0.2 NC(=O)NC(=O)CO Z431952046 [0,1,0,0,0,1|1,0,0]=3 185 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,1,0,0,0,1|1,0,1]=4 186 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,1,0,0,0,1|1,0,1]=4 187 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,1,0,0,0,1|1,0,1]=4 188 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,1|0,0,2]=4 189 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,0,1|2,0,0]=4 190 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,1|1,0,1]=4 191 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,1|2,0,0]=4 192 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,0,1|2,0,0]=4 193 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,0,1|2,0,0]=4 194 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,1|0,0,2]=4 195 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,0,1|2,0,0]=4 196 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,0,1|2,0,0]=4 197 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.5 C=CCC(N)C(=O)O Z317024964 [0,2,0,0,0,0|0,0,1]=3 200 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [0,2,0,0,0,0|0,0,1]=3 201 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,2,0,0,0,0|0,0,2]=4 204 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,2,0,0,0,0|0,0,2]=4 206 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,2,0,0,0,0|0,0,2]=4 212 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.10 COC(=O)C(C)CN Z1357902409 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.10 COC(=O)C(N)CF Z1255489945 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.10 COC(=O)C(N)CO Z104479480 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.10 COC(=O)C(N)CS Z56917374 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,2,0,0,0,0|0,0,2]=4 229 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,2,0,0,0,0|0,0,2]=4 232 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.14 COC(=O)C(C)(C)N Z339270984 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,2,0,0,0,0|0,0,2]=4 238 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|0,0,2]=4 239 B7R1.2 CC1=CC(=NO1)N Z104503828 [0,0,0,1,0,1|2,0,0]=4 240 B7R1.2 CC1=CC(=O)NO1 Z56761467 [0,0,0,1,0,1|2,0,0]=4 241 B7R1.2 CC1=CN=C(N1)O Z2630875693 [0,0,0,1,0,1|2,0,0]=4 242 B7R1.2 CC1=COC(=N1)S Z1416179155 [0,0,0,1,0,1|1,1,0]=4 243 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,1,0,1|1,1,0]=4 244 B7R1.2 CC1=NC(=NO1)N Z1147462977 [0,0,0,1,0,1|2,0,0]=4 245 B7R1.2 CC1=NC(=O)NN1 Z2234631231 [0,0,0,1,0,1|1,0,1]=4 246 B7R1.2 CC1=NC=C(S1)N Z951517342 [0,0,0,1,0,1|2,0,0]=4 247 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [0,0,0,1,0,1|1,0,1]=4 248 B7R1.2 NC1=CC(=O)NN1 Z1245635875 [0,0,0,1,0,1|2,0,0]=4 249 B7R1.2 NC1=CCC(=O)N1 Z1203591710 [0,0,0,1,0,1|1,0,0]=3 250 B7R1.2 NC1=CSC(=N1)N Z190661742 [0,0,0,1,0,1|1,1,0]=4 251 B7R1.2 NC1=CSC(=N1)O Z1033300716 [0,0,0,1,0,1|0,1,0]=3 252 B7R1.2 NC1=NC(=O)CS1 Z57104428 [0,0,0,1,0,1|2,0,0]=4 253 B7R1.2 NC1=NCC(=O)N1 Z203038534 [0,0,0,1,0,1|2,0,0]=4 254 B7R1.2 NC1=NN=C(N1)O Z1869802420 [0,0,0,1,0,1|2,0,0]=4 255 B7R1.2 NC1=NN=C(S1)O Z1824511386 [0,0,0,1,0,1|2,0,0]=4 256 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,1,0,1|2,0,0]=4 257 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,1,0,1|2,0,0]=4 258 B7R1.2 O=C1CC(=O)NN1 Z1278925673 [0,0,0,1,0,1|2,0,0]=4 259 B7R1.2 O=C1CNC(=O)N1 Z57131035 [0,0,0,1,0,1|2,0,0]=4 260 B7R1.2 O=C1CNC(=S)N1 Z56900799 [0,0,0,1,0,1|2,0,0]=4 261 B7R1.2 O=C1COC(=O)N1 Z56762271 [0,0,0,1,0,1|1,0,1]=4 262 B7R1.2 O=C1N=C(NN1)S Z1723849188 [0,0,0,1,0,1|2,0,0]=4 263 B7R1.2 O=C1NC=C(S1)Cl Z1270529019 [0,0,0,1,0,1|2,0,0]=4 264 B7R1.2 O=C1NNC(=O)N1 Z1255461133 [0,0,0,1,0,1|2,0,0]=4 265 B7R1.4 C=C1CCOC1=O Z1255438435 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.4 CC1=C(C=NO1)I Z1269175158 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.4 CC1=C(C=NO1)N Z1465461252 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.4 CC1=C(ON=C1)N Z815305382 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 CC1=C(SC=N1)N Z1815155510 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.4 CC1=CON=C1N Z995041844 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 CC1=CSC=C1N Z1492796718 [0,1,0,1,0,0|1,1,0]=4 272 B7R1.4 CC1=NNC=C1N Z600615694 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 CC1=NOC=C1N Z2466617876 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.4 CC1=NON=C1N Z57948408 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.4 CC1=NSC=C1N Z2737427927 [0,1,0,1,0,0|1,1,0]=4 276 B7R1.4 CN1C=COC1=O Z2732441923 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.4 NC1=CNN=C1N Z802599594 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.4 NC1=CNNC1=O Z2216303144 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.4 NC1=CSC=C1Br Z2235409323 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.4 NC1CCOC1=O Z56921763 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.4 NC1CONC1=O Z336087816 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.4 NN1CCOC1=O Z1198147716 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,1,0,1,0,0|0,0,2]=4 284 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,1,0,1,0,0|0,0,2]=4 285 B7R1.4 OC1=NSC=C1Br Z3243456041 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,1,0,1,0,0|0,0,2]=4 287 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,1,0,1,0,0|0,0,2]=4 288 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,1,0,1,0,0|0,0,2]=4 289 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,2|1,0,1]=4 290 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,2|1,0,1]=4 291 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,2|2,0,0]=4 292 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,2|0,0,2]=4 293 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,2|1,0,0]=3 294 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,2|1,0,0]=3 295 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,2|2,0,0]=4 296 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,2|1,0,0]=3 297 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,2|2,0,0]=4 298 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,2|2,0,0]=4