0 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 CNC(=N)N(C)C Z3380814034 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.3 CNC(=O)C(C)Cl Z104346638 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.3 CNC(=O)C(C)N Z105197440 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CNC(=O)C(C)O Z431951884 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 CNC(=O)C(F)F Z32016385 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,0,0|0,0,2]=2 20 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.3 COC(=O)C(=N)N Z1198220825 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.3 COC(C)C(=O)C Z447898138 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 COC(C)C(=O)N Z223645218 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 C#CCC(=O)O Z295890060 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CC#CC(=O)N Z1203579284 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCCC(=O)N Z33546461 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(=O)O Z104495380 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCOC(=O)N Z33546369 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CNCC(=O)N Z415678308 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.1 CNCC(=O)O Z104480276 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.1 CNCC(C)O Z138692700 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 COCC(=O)N Z33546778 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 COCC(=O)O Z104477404 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 CSCC(=O)N Z33545668 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 N#CCC(=O)O Z104476112 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 NCCC(=O)O Z57127544 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.1 NOCC(=O)O Z90662171 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 O=C(O)CCCl Z203045320 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 O=C(O)CCS Z104474322 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 O=C(O)CNO Z1205493750 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.3 C/N=C(\C)/NC Z1431002714 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 C/N=C(\N)/NC Z1089996530 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 C=C(CC)CN Z2238934536 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CC/C(=N/O)/N Z241067842 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 CCN(C)C=O Z1258520870 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CNC(=N)NN Z2301534051 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CNC(=O)CCl Z56891219 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 CNC(=O)CN Z57981102 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CNC(=O)CO Z431952700 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.3 CNC(=O)CS Z1203730878 [1,0,0,0,0,0|1,1,1]=4 64 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.5 CC(=C(Cl)Cl)Cl Z1198148250 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,0,0|1,0,0]=2 67 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,0,0|0,0,2]=3 79 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.5 NC(=S)C(=S)N Z56347000 [1,0,0,0,0,0|2,1,0]=4 82 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.5 CC(NC=O)C(=O)O Z56757230 [0,1,0,0,0,0|0,0,3]=4 88 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,1,0,0,0,0|1,0,2]=4 96 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,1,0,0,0,0|0,0,2]=3 97 B7R0.5 COCC(C)C(=O)O Z431541094 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,1,0,0,0,0|1,0,2]=4 100 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.10 CCC(=O)C(=O)CC Z104472286 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.10 CNC(=N)C(C)OC Z2759956061 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.10 CNC(=O)C(N)CO Z1203584884 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.10 CNC(=O)C(O)CN Z2418537068 [0,1,0,0,0,0|2,0,1]=4 113 B7R0.10 CNC(=O)N(C)N=O Z1198155659 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.10 COC(=O)C(C)SC Z821313006 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,1,0,0,0,0|1,0,2]=4 120 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [0,1,0,0,0,0|0,0,2]=3 121 B7R0.13 COC(C)(C)C(=O)O Z803492148 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,0,0|0,0,2]=3 125 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,1,0,0,0,0|0,0,2]=3 143 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,1,0,0,0,0|0,0,2]=3 146 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,0,0|2,0,1]=4 147 B7R1.4 C=C1CCOC1=O Z1255438435 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.4 NN1CCOC1=O Z1198147716 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,1,0,0|1,0,2]=4 153 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,1,0,0|0,0,2]=3 155 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,0,0|1,0,2]=4 156 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,0,0|2,0,1]=4 158 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,1|1,0,1]=3 159 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,1|3,0,0]=4 160 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,1|1,0,2]=4 161 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,1|2,0,1]=4 162 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,1|2,0,1]=4 163 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [0,0,0,0,0,1|3,0,0]=4 164 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,1|1,0,0]=2 165 B7R0.2 CNC(=O)NC(=O)N Z56755567 [0,0,0,0,0,1|2,0,0]=3 166 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,1|1,0,2]=4 167 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,1|1,0,2]=4 168 B4R0.1 C#CC(=O)O Z104493798 [2,0,0,0,0,0|0,0,2]=4 169 B4R0.1 C=C(Br)CO Z600440434 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 C=CC(=C)C Z104474660 [2,0,0,0,0,0|1,0,0]=3 171 B4R0.1 C=CC(=O)O Z57127944 [2,0,0,0,0,0|0,0,0]=2 172 B4R0.1 CC(=O)C=O Z104495190 [2,0,0,0,0,0|1,0,0]=3 173 B4R0.1 CC(=O)CN Z1262398366 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.1 CC(=O)NN Z58981787 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.1 CC(=O)NO Z59181917 [2,0,0,0,0,0|1,0,1]=4 176 B4R0.1 CCC(=O)N Z33546482 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 CCC(=O)O Z104474154 [2,0,0,0,0,0|0,0,1]=3 178 B4R0.1 CNC(=N)C Z2146515751 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 CNC(=O)C Z32016274 [2,0,0,0,0,0|0,0,1]=3 180 B4R0.1 CNC(=O)N Z56932989 [2,0,0,0,0,0|1,0,0]=3 181 B4R0.1 COC(=O)N Z104476722 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 N=C(N)CO Z1259341033 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.1 NC(=O)CO Z424788508 [2,0,0,0,0,0|1,0,1]=4 184 B4R0.1 NC(=O)NO Z1203577934 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.1 NCC(=O)N Z1262254285 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.1 NCC(=O)O Z955123660 [2,0,0,0,0,0|0,0,1]=3 187 B4R0.1 NNC(=O)N Z104473922 [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 O=C(O)CBr Z104473018 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.1 O=C(O)CO Z104473274 [2,0,0,0,0,0|1,0,1]=4 190 B6R0.1 CCCC(=O)NO Z59181937 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.1 CCNC(=O)CO Z431952024 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.1 CCOC(=O)CO Z385458066 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.1 CNCC(=O)NC Z57981096 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.1 CNCC(=O)OC Z89264972 [1,1,0,0,0,0|0,0,1]=3 195 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(=CC(=O)N)C Z33546934 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.2 CC(N)CC(=O)O Z147647144 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.2 CN(C)CC(=O)N Z54750057 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|0,0,1]=3 204 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 CCC#CC(=O)O Z1205493735 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CCNCC(=O)O Z744593094 [1,1,0,0,0,0|0,0,1]=3 212 B6R0.4 CCOCC(=O)O Z104495232 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 CNCCC(=O)C Z1536943318 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.4 COCCC(=O)O Z285184634 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.4 CSCCC(=O)O Z54719251 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.4 O=C(O)C#CCO Z1198169479 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.4 O=C(O)CCCS Z147642510 [1,1,0,0,0,0|1,0,1]=4 221 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [1,1,0,0,0,0|0,0,2]=4 222 B6R0.7 CC(C)(N)C(=O)O Z317024776 [1,1,0,0,0,0|0,0,2]=4 223 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,1|1,0,1]=4 225 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,1,0,0,0,1|1,0,1]=4 226 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,1|0,0,2]=4 227 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [0,1,0,0,0,1|1,0,1]=4 229 B8R0.19 C=CC(=O)NC(=O)NC Z235362893 [0,1,0,0,0,1|2,0,0]=4 230 B8R0.19 CNC(=O)NC(=O)CCl Z56895734 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,1|2,0,0]=4 232 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,1|2,0,0]=4 233 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,1|0,0,2]=4 234 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.34 CNS(=O)(=O)CC(=O)O Z351064480 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,2,0,0,0,0|0,0,2]=4 240 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.20 CCC(NC)C(=O)OC Z1770192987 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.36 CCC(C)(NC)C(=O)O Z4462826616 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.27 C=C(C(=O)O)C(F)(F)F Z826034004 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.27 CC(C)(C)C(=O)C(=O)O Z1187714783 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,2,0,0,0,0|0,0,2]=4 247 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,1,0,0|1,0,0]=3 248 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,1,0,0|1,0,1]=4 249 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,0,0,1,0,1|2,0,0]=4 253 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,0,0,1,0,1|1,1,0]=4 254 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [0,0,0,1,0,1|2,0,0]=4 255 B8R1.1 CNC1=NOC(=C1)C Z3069017324 [0,0,0,1,0,1|2,0,0]=4 256 B8R1.4 O=C1CCNC(=O)N1 Z57033885 [0,0,0,1,0,1|2,0,0]=4 257 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [0,0,0,1,0,1|2,0,0]=4 258 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,0,0,1,0,1|1,0,1]=4 259 B8R1.18 CN1C=C(N=C1N)O Z104500556 [0,0,0,1,0,1|2,0,0]=4 260 B8R1.18 CN1CC(=O)NC1=O Z104473250 [0,0,0,1,0,1|2,0,0]=4 261 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,0,0,1,0,1|2,0,0]=4 262 B8R1.18 CN1NC(=O)N=C1S Z217165566 [0,0,0,1,0,1|2,0,0]=4 263 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [0,0,0,1,0,1|2,0,0]=4 264 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,0,0,1,0,1|1,0,0]=3 265 B8R1.31 O=C(O)C1=C(CC1)Cl Z3358630818 [0,0,0,1,0,1|2,0,0]=4 266 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,1,0,1|1,0,1]=4 267 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.7 NC(=O)C1=CC=NN1 Z1095213382 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.7 NC(=O)C1=CNN=C1 Z431978758 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.7 NC(=O)C1=NC=CN1 Z1198218632 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,1,0,1,0,0|0,0,1]=3 278 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,1,0,1,0,0|0,0,2]=4 281 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,1,0,1,0,0|0,0,1]=3 284 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.7 O=C(O)C1=CN=NS1 Z425800944 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,1,0,1,0,0|0,0,1]=3 288 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,1,0,1,0,0|0,0,2]=4 292 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,1,0,1,0,0|0,0,1]=3 298 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,1,0,1,0,0|0,0,2]=4 302 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,1,0,1,0,0|0,0,1]=3 304 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,1,0,1,0,0|0,0,2]=4 308 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,1,0,1,0,0|0,0,2]=4 309 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|0,0,2]=4 310 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,1,0,1,0,0|0,0,2]=4 311 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.78 NC1(CNC1)C(=O)O Z2867454580 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.78 O=C(O)C1(CNC1)O Z2630949328 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.50 CC1=C(C(=O)CC1)O Z1483987834 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.50 CC1=C(C(=O)OC1)O Z1255374651 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.50 O=C1OCC(=C1Cl)Cl Z1198160971 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.63 CNC1(CC1)C(=O)O Z3022016916 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.63 O=CC1(CC1)C(=O)O Z1205496088 [0,1,0,1,0,0|1,0,1]=4 322 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,2|2,0,0]=4 323 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,2|2,0,0]=4 324 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,0,0,0,0,2|1,0,0]=3 325 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,0,0,0,0,2|2,0,0]=4 326 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,0,0,0,0,2|1,0,0]=3 327 B8R0.9 CNC(=S)NNC(=O)C Z32335546 [0,0,0,0,0,2|2,0,0]=4 328 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,0,0,0,0,2|2,0,0]=4 329 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,0,0,0,0,2|2,0,0]=4 330 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,0,0,0,0,2|2,0,0]=4