0 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 CCCC(=O)OCCl PI-36667 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCOC(=O)C#CC PI-22064 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.7 CCOC(=O)COC PI-50353 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.7 CCOC(=O)CSC PI-39857 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.7 CCOC(=O)C[N+]#[C-] PI-50608 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.7 CNCC(=O)OCC PI-30682 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.7 NCCC(=O)OCC PI-33213 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.7 OCCC(=O)OCC PI-39562 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.1 CC#CC(=O)OC PI-48956 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.1 CCCC(=O)NN PI-23070 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCCC(=O)SC PI-48512 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(C=C)O PI-15324 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCOC(=O)C#C PI-35147 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CNCC(=O)OC PI-45586 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 COC(=O)CCN PI-31148 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 NNC(OCC)=O PI-28515 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 O=C(OC)CCO PI-41038 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.6 CC=CC=CCO PI-24146 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.6 CCOC=CC#N PI-37795 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.1 CCOC(=O)C=CC=O PI-40874 [0,1,0,0,0,0|0,0,1]=2 27 B8R0.1 CCOC(=O)C=CCBr PI-11271 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,1,0,0,0,0|0,0,3]=4 29 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.1 [N-]=[N+]=NCC(=O)OCC PI-22050 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.3 CC(C(=O)OCC)C#N PI-38920 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|0,0,1]=2 37 B8R0.3 CCOC(=O)C(=NO)Cl PI-19131 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.3 CCOC(=O)C(=NO)N PI-43976 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.3 CCOC(=O)C(=O)NN PI-50272 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.3 CCOC(=O)C(CO)N PI-30400 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.3 CCOC(=O)C(CS)N PI-15749 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.3 CCOC(=O)C(N)CO PI-42130 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.3 CCOC([C@@H](CO)N)=O PI-42157 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,1,0,0,0,0|0,0,0]=1 48 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.5 CCOC(=O)NC(=O)N PI-47058 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.5 [O-][N+](=O)CC(=O)OCC PI-22110 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.30 CCOP(=O)(O)OCC PI-41602 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.4 O=C1C=C(Br)NCN1 PI-46712 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|0,0,2]=3 70 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.8 CCOC1=NC=CS1 PI-11123 [0,0,0,1,0,0|1,1,1]=4 73 B8R1.11 CCN1CCCC1=O PI-12779 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.11 CCn1nccc1N PI-36873 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,0,0,1,0,0|1,0,1]=3 76 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,0,0,1,0,0|1,1,1]=4 78 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.18 O=C1NC(C)C(=O)N1 PI-25739 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,1,0,0|2,0,1]=4 85 B5R0.1 CC#CC(=O)O PI-12861 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.1 CC(=O)NCO PI-29791 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 CC=CC(=O)C PI-45740 [2,0,0,0,0,0|0,0,0]=2 88 B5R0.1 CCCC(=O)N PI-32787 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,0]=2 90 B5R0.1 CCOC(=S)[S-] PI-47063 [2,0,0,0,0,0|1,1,0]=4 91 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|1,1,0]=4 92 B5R0.1 CCSC(=O)C PI-48509 [2,0,0,0,0,0|0,1,0]=3 93 B5R0.1 CCSC(=O)Cl PI-38596 [2,0,0,0,0,0|1,1,0]=4 94 B5R0.1 CNCC(=O)O PI-45053 [2,0,0,0,0,0|1,0,1]=4 95 B5R0.1 C\C=C\C(=O)N PI-50568 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 C\C=C\C(=O)O PI-48966 [2,0,0,0,0,0|0,0,0]=2 97 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|0,0,0]=2 98 B5R0.3 CCC(=C)C=O PI-44654 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 CCC(=O)CBr PI-20588 [2,0,0,0,0,0|1,0,1]=4 100 B5R0.3 CCC(=O)NN PI-50290 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 CNC(=O)CCl PI-39443 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 COC(=O)C#C PI-35828 [2,0,0,0,0,0|0,0,2]=4 103 B7R0.2 CC(=CC(=O)OC)C PI-13263 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.2 CC(=CC(=O)OC)N PI-13659 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.2 CC(C)OC(=O)CO PI-35449 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.2 CC(CC(=O)OC)N PI-42254 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.2 CC(CC(=O)OC)O PI-42249 [1,1,0,0,0,0|0,0,2]=4 108 B7R0.2 CC(CC(=O)OC)O PI-42250 [1,1,0,0,0,0|0,0,2]=4 109 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.2 COC(=O)CC(C)N PI-42155 [1,1,0,0,0,0|0,0,2]=4 111 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [1,1,0,0,0,0|0,0,2]=4 112 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [1,1,0,0,0,0|0,0,2]=4 113 B7R0.2 O=C(OC(C)C)CN PI-46621 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.3 COC(=O)CCC=O PI-48276 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.3 COC(=O)CCCBr PI-44980 [1,1,0,0,0,0|0,0,2]=4 117 B7R0.3 COC(=O)CCCN PI-42165 [1,1,0,0,0,0|0,0,2]=4 118 B7R0.3 COC(=O)CCSC PI-45979 [1,1,0,0,0,0|0,0,2]=4 119 B7R0.3 COC(=O)CNC=O PI-33232 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.3 COC(=O)\C=C\CBr PI-10946 [1,1,0,0,0,0|0,0,0]=2 121 B7R0.3 CO\C=C\C(=O)OC PI-37579 [1,1,0,0,0,0|0,0,0]=2 122 B7R0.3 O=C(OC)CCNC PI-40057 [1,1,0,0,0,0|0,0,2]=4 123 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [1,1,0,0,0,0|0,0,0]=2 124 B7R0.5 CCOC(=O)C(=S)N PI-34781 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.5 CCOC(=O)C(Br)F PI-13394 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|0,0,1]=3 127 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|0,0,1]=3 128 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|0,0,1]=3 129 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.5 CCOC(=O)C(F)F PI-24421 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.5 CCOC(=O)C(F)I PI-49445 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|0,0,1]=3 133 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|0,0,1]=3 134 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|0,0,2]=4 135 B7R0.10 CCC(N)C(OC)=O PI-42163 [1,1,0,0,0,0|0,0,2]=4 136 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.10 CNC(=O)C(=O)NC PI-14652 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.10 COC(=O)C(=C)CBr PI-10940 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.10 COC(=O)C(=C)CCl PI-41261 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.10 COC(=O)C(=C)CO PI-41263 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.10 COC(=O)C(=O)NN PI-50286 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 CCO\C=C\C(=O)O PI-41236 [1,1,0,0,0,0|1,0,0]=3 144 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,2,0,0,0,0|1,0,1]=4 145 B9R0.5 C(C(OCC)=O)CCCBr PI-40015 [0,2,0,0,0,0|0,0,2]=4 146 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [0,2,0,0,0,0|0,0,0]=2 147 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|0,0,0]=2 148 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|0,0,2]=4 149 B9R0.34 C(C)OC(CC(CBr)=O)=O PI-40019 [0,2,0,0,0,0|0,0,1]=3 150 B9R0.34 CCCC(=O)CC(=O)OC PI-45791 [0,2,0,0,0,0|1,0,1]=4 151 B9R0.34 CCOC(=O)CC(=O)NN PI-40382 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.34 CCOC(=O)CC(CBr)O PI-10817 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.34 CCOC(=O)CC(CCl)O PI-38020 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.34 CCOC(=O)C[C@@H](O)CCl PI-11565 [0,2,0,0,0,0|0,0,2]=4 155 B9R0.34 CCOC(=O)C[C@H](O)CCl PI-11564 [0,2,0,0,0,0|0,0,2]=4 156 B9R0.34 CCOC(=O)NC(=O)CCl PI-23124 [0,2,0,0,0,0|1,0,0]=3 157 B9R0.35 C(C)CC(C(OCC)=O)=O PI-31731 [0,2,0,0,0,0|0,0,1]=3 158 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|0,0,2]=4 159 B9R0.35 CCOC(=O)[C@H](CC=C)N PI-48082 [0,2,0,0,0,0|0,0,2]=4 160 B9R0.48 CC(C)COC(=O)CC=C PI-50678 [0,2,0,0,0,0|0,0,2]=4 161 B9R0.48 CCOC(=O)C=CC(=O)O PI-47111 [0,2,0,0,0,0|0,0,1]=3 162 B9R0.48 CCOC(=O)C=CN(C)C PI-13247 [0,2,0,0,0,0|0,0,0]=2 163 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,2,0,0,0,0|1,0,1]=4 164 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,2,0,0,0,0|0,0,1]=3 165 B9R0.6 CCOC(=O)C(C(C)C)Br PI-11269 [0,2,0,0,0,0|0,0,2]=4 166 B9R0.6 CCOC(=O)C(C(C)C)N PI-31091 [0,2,0,0,0,0|0,0,2]=4 167 B9R0.6 CCOC(=O)C(C(C)O)N PI-33222 [0,2,0,0,0,0|0,0,2]=4 168 B9R0.6 CCOC(=O)C(C)C(=O)C PI-33892 [0,2,0,0,0,0|0,0,1]=3 169 B9R0.19 CCC(C)(C(=O)OCC)Br PI-44081 [0,2,0,0,0,0|0,0,2]=4 170 B9R0.37 CCOC(=O)C(C=O)C=O PI-39019 [0,2,0,0,0,0|1,0,1]=4 171 B9R0.37 CCOC(=O)\C(=N\O)\C#N PI-43159 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.44 C=CCC(=O)OC(C)(C)C PI-36470 [0,2,0,0,0,0|0,0,2]=4 173 B9R0.44 CCOC(=O)CC(C)(C)C PI-50549 [0,2,0,0,0,0|0,0,2]=4 174 B9R0.44 CCOC(=O)CC(C)(C)N PI-45592 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.44 CCOC(=O)CS(=O)(=O)C PI-22100 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.44 CCOC(=O)C[Si](C)(C)C PI-35339 [0,2,0,0,0,0|0,1,1]=4 177 B9R0.44 C\C=C\C(=O)OC(C)(C)C PI-22910 [0,2,0,0,0,0|0,0,0]=2 178 B9R0.53 CC(=CC(=O)C=C(C)C)C PI-49459 [0,2,0,0,0,0|1,0,1]=4 179 B9R0.53 CC(C)OC(=O)\C=C(\C)/N PI-11272 [0,2,0,0,0,0|0,0,0]=2 180 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,1,0,0|0,1,1]=4 181 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.1 COc1cccs1 PI-33573 [1,0,0,1,0,0|0,1,1]=4 183 B7R1.1 COc1cscc1 PI-27269 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.2 C1C(C=CC1=O)O PI-48068 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 CC1=CC(=NO1)C PI-11253 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.2 CC1=CC=C(O1)C PI-44542 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|0,0,1]=3 191 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.2 Cc1noc(c1)N PI-30153 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [1,0,0,1,0,0|0,0,2]=4 197 B7R1.3 C1CC(=O)COC1 PI-39263 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.3 C1CCC(=CC1)Cl PI-46532 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.3 C1CCNC(=O)C1 PI-40996 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.3 C1COC(=O)C=C1 PI-47083 [1,0,0,1,0,0|0,0,0]=2 201 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|0,0,1]=3 203 B7R1.3 O=C1CCCNC1 PI-35479 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.3 O=C1COCCO1 PI-44056 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|0,0,0]=2 208 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|0,0,1]=3 209 B7R1.4 Cn1sccc1=O PI-11861 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.22 COC(=O)C1CC1 PI-32774 [1,0,0,1,0,0|0,0,2]=4 214 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [1,0,0,1,0,0|1,0,1]=4 215 B9R1.7 CCCc1[nH]cc(C)n1 PI-36286 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.22 CC1=C(OC(=O)O1)CCl PI-24629 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.27 CCC1=C(CNC1=O)C PI-16775 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.27 CCN1C(=O)C=CC1=O PI-38446 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.27 CCc1c(C)c[nH]c1C PI-31899 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.73 CCOC(=O)C1CCC1 PI-33318 [0,1,0,1,0,0|0,0,2]=4 225 B9R1.37 CC1=C(C(=O)OC1=O)C PI-41114 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.37 CC1C(=C(C(=O)O1)O)C PI-47190 [0,1,0,1,0,0|0,0,0]=2 227 B9R1.37 CC1C(=O)C(=C(O1)C)O PI-11456 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.37 CC1CC(=O)C(=O)C1C PI-47192 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.74 CCOC(=O)C1(CC1)N PI-43116 [0,1,0,1,0,0|0,0,2]=4 230 B9R1.74 CCOC(=O)C1(CC1)N PI-45006 [0,1,0,1,0,0|0,0,2]=4 231 B9R1.74 O=C(C1(C)CC1)OCC PI-17865 [0,1,0,1,0,0|0,0,2]=4 232 B9R1.34 CC1=CC(=O)NC(=N1)C PI-21333 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.34 O=c1cc(C)oc(C)c1 PI-29024 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.38 O=C1NC(=O)C(C)(C)O1 PI-13286 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.41 CC(=O)N1CCCC1=O PI-29978 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.41 CC(=O)N1CCNC1=O PI-12769 [0,1,0,1,0,0|2,0,0]=4