0 B7R1.1 BrCC1CCCC1 OR18584 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 BrCC1CCCO1 OR23265 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.1 BrCC1OCCO1 OR54338 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 COC1CCCC1 OR55202 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CO[C@@H]1CCNC1 OR451217 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 ClCC1=NCCN1 OR7709 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 ICC1CCCC1 OR16976 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 N#CC1CCCN1 OR2812 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.1 N#CC1CCNC1 OR55107 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 N#CN1CCCC1 OR28605 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 N#C[C@@H]1CCCN1 OR55254 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.1 N#C[C@H]1CCCN1 OR55256 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.1 NCC1CCCO1 OR10076 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.1 NCC1CCOC1 OR17201 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.1 NNC1CCCC1 OR5640 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 O=CC1CCCC1 OR16978 [0,0,0,0,0,0|1,0,2]=3 17 B7R1.1 OCC1=CC=CO1 OR23024 [0,0,0,0,0,0|0,0,4]=4 18 B7R1.1 OCC1=CN=CO1 OR3790 [0,0,0,0,0,0|1,0,3]=4 19 B7R1.1 OCC1=NC=CO1 OR59845 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.1 OCC1CCCC1 OR46003 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.1 OCC1CCCN1 OR13968 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.1 OCC1CCNC1 OR309156 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 OCC1CCOC1 OR322139 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,0,0,0,0,0|0,0,0]=0 26 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,0,0,0,0,0|0,0,0]=0 29 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 BrC1CCCC1 OR10098 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,0,0,0|1,0,1]=3 33 B6R1.2 CC1CCCN1 OR30527 [1,0,0,0,0,0|1,0,0]=2 34 B6R1.2 CC1CCCO1 OR42160 [1,0,0,0,0,0|0,0,0]=1 35 B6R1.2 CC1CCNC1 OR313066 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 C[C@@H]1CCCN1 OR15684 [1,0,0,0,0,0|1,0,0]=2 37 B6R1.2 C[C@@H]1CCCN1 OR18417 [1,0,0,0,0,0|1,0,0]=2 38 B6R1.2 C[C@@H]1CCCN1 OR4617 [1,0,0,0,0,0|1,0,0]=2 39 B6R1.2 C[C@H]1CCCN1 OR460046 [1,0,0,0,0,0|1,0,0]=2 40 B6R1.2 C[C@H]1CCCN1 OR4618 [1,0,0,0,0,0|1,0,0]=2 41 B6R1.2 C[C@H]1CCNC1 OR313067 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 ClC1CCCC1 OR10099 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 IC1CCOC1 OR52585 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 I[C@@H]1CCOC1 OR52586 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 NC1CCCC1 OR10097 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 NC1CCNC1 OR52187 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 NC1CCOC1 OR301034 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 NC1CCOC1 OR40690 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 N[C@@H]1CCOC1 OR322597 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 N[C@@H]1CCOC1 OR4604 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 N[C@H]1CCOC1 OR322596 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,0,0,0|1,0,2]=4 53 B6R1.2 OC1CCCC1 OR10094 [1,0,0,0,0,0|1,0,0]=2 54 B6R1.2 OC1CCNC1 OR9068 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 O[C@@H]1CCNC1 OR15681 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 O[C@@H]1CCNC1 OR4628 [1,0,0,0,0,0|2,0,0]=3 57 B6R1.2 O[C@@H]1CCOC1 OR4601 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 O[C@H]1CCNC1 OR15682 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 O[C@H]1CCNC1 OR4627 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 O[C@H]1CCOC1 OR4603 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 S=C1CCCN1 OR22113 [1,0,0,0,0,0|1,1,1]=4 62 B6R1.2 S=C1NCCO1 OR28382 [1,0,0,0,0,0|1,1,1]=4 63 B8R1.1 CCC1OCC(C)O1 OR60175 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,0,0,0|0,0,1]=2 68 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,1,0,0,0,0|1,0,1]=3 69 B8R1.7 CC(C)C1CCCN1 OR12519 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [0,1,0,0,0,0|1,0,2]=4 71 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.7 O=C(O)C1CCCC1 OR18358 [0,1,0,0,0,0|1,0,1]=3 73 B8R1.7 O=C(O)C1CCCN1 OR350110 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.7 O=C(O)C1CCCO1 OR10057 [0,1,0,0,0,0|0,0,1]=2 75 B8R1.7 O=C(O)C1CCOC1 OR16452 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.7 O=C(O)C1NCCS1 OR25449 [0,1,0,0,0,0|1,1,1]=4 77 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [0,1,0,0,0,0|0,0,1]=2 78 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [0,1,0,0,0,0|1,0,1]=3 79 B8R1.7 OB(O)C1=CCCC1 OR13114 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.7 OB(O)C1CCCC1 OR7833 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.8 BrCCC1OCCO1 OR52533 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.8 CNCC1CCOC1 OR59994 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.8 COC[C@@H]1CCCN1 OR4615 [0,1,0,0,0,0|1,0,0]=2 84 B8R1.8 COC[C@H]1CCCN1 OR4616 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.8 ClCCN1CCCC1 OR0992 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.8 N#CCN1CCCC1 OR6547 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.8 NCCN1CCCC1 OR19557 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.8 OCCC1CCNC1 OR315571 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.8 S=C=NC1CCCC1 OR30183 [0,1,0,0,0,0|1,1,1]=4 90 B8R1.11 CN1CCC[C@H]1CO OR14515 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.11 N#CC1CCCC1=O OR7124 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.52 CC1(CN)OCCO1 OR303185 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.1 CCCC(=N)NO OR12351 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.1 CCCC(C)C=O OR40018 [0,0,1,0,0,0|1,0,2]=4 95 B6R0.1 CCOC(=O)CN OR43634 [0,0,1,0,0,0|2,0,1]=4 96 B6R0.1 CCOC(=O)CS OR17516 [0,0,1,0,0,0|1,1,1]=4 97 B6R0.1 CCOC(=O)NO OR9111 [0,0,1,0,0,0|2,0,1]=4 98 B6R0.1 CNCC(O)CO OR13648 [0,0,1,0,0,0|1,0,0]=2 99 B6R0.1 COCC(O)CO OR30517 [0,0,1,0,0,0|1,0,0]=2 100 B6R0.1 OCC[C@@H](O)CO OR4602 [0,0,1,0,0,0|1,0,0]=2 101 B6R0.1 OCC[C@H](O)CO OR5242 [0,0,1,0,0,0|1,0,0]=2 102 B6R0.6 BrCCOCCBr OR42237 [0,0,1,0,0,0|2,0,0]=3 103 B6R0.6 C#CCCCCC OR5511 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.6 C#CCCCCCl OR14512 [0,0,1,0,0,0|2,0,1]=4 105 B6R0.6 C#CCCCCN OR939942 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.6 C#CCCCCO OR30592 [0,0,1,0,0,0|1,0,1]=3 107 B6R0.6 C=CCCCCBr OR7533 [0,0,1,0,0,0|2,0,1]=4 108 B6R0.6 C=CCCCCC OR01828 [0,0,1,0,0,0|2,0,1]=4 109 B6R0.6 C=CCCCCCl OR53170 [0,0,1,0,0,0|2,0,1]=4 110 B6R0.6 C=CCCCCO OR14506 [0,0,1,0,0,0|1,0,1]=3 111 B6R0.6 CCCCCC=O OR6051 [0,0,1,0,0,0|1,0,2]=4 112 B6R0.6 CCCCCCCl OR52582 [0,0,1,0,0,0|2,0,0]=3 113 B6R0.6 CCCCCCI OR2177 [0,0,1,0,0,0|2,0,0]=3 114 B6R0.6 CCCCCCN OR5310 [0,0,1,0,0,0|2,0,0]=3 115 B6R0.6 CCCCCCS OR40389 [0,0,1,0,0,0|1,1,0]=3 116 B6R0.6 CCCCCNC OR60037 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.6 CCCNCCC OR19539 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.6 ClCCCCCBr OR24918 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.6 ClCCCCCI OR2936 [0,0,1,0,0,0|2,0,0]=3 120 B6R0.6 ClCCNCCCl OR27981 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.6 ICCOCCI OR18271 [0,0,1,0,0,0|2,0,0]=3 122 B6R0.6 N#CCCCCCl OR10090 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.6 NCCCCCN OR59990 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.6 NCCCCCO OR10081 [0,0,1,0,0,0|1,0,0]=2 125 B6R0.6 NCCCCCO OR51934 [0,0,1,0,0,0|1,0,0]=2 126 B6R0.6 NCCCCCO OR55441 [0,0,1,0,0,0|1,0,0]=2 127 B6R0.6 NCCSCCO OR28868 [0,0,1,0,0,0|1,1,0]=3 128 B6R0.6 OCCCCCCl OR6509 [0,0,1,0,0,0|1,0,0]=2 129 B6R0.6 OCCNCCO OR40730 [0,0,1,0,0,0|1,0,0]=2 130 B6R0.6 OCCOCCO OR59808 [0,0,1,0,0,0|1,0,0]=2 131 B6R0.9 C=CC(OC)OC OR52642 [0,0,1,0,0,0|2,0,1]=4 132 B6R0.9 CCB(CC)CC OR52281 [0,0,1,0,0,0|3,0,0]=4 133 B6R0.9 CCC(CC)=NO OR30404 [0,0,1,0,0,0|2,0,1]=4 134 B6R0.9 CCC(CC)CBr OR59423 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.9 CCC(CC)CN OR2434 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.9 CCC(CC)NN OR55003 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.9 CCN(CC)CC OR61241 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.9 CCN(CC)CC OR9284 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.9 CC[SiH](CC)CC OR46515 [0,0,1,0,0,0|2,1,0]=4 140 B6R0.9 COC(C=O)OC OR59985 [0,0,1,0,0,0|1,0,2]=4 141 B6R0.9 COC(CN)OC OR4745 [0,0,1,0,0,0|2,0,0]=3 142 B8R2.34 C1OC2CNC1C2 OR015021 [0,0,0,1,0,0|1,0,0]=2 143 B8R2.55 C1CC2(CC2)CN1 OR312256 [0,0,0,1,0,0|3,0,0]=4 144 B8R2.55 C1CC2(CC2)CN1 OR312385 [0,0,0,1,0,0|3,0,0]=4 145 B8R2.55 C1CC2(CO1)CO2 OR52353 [0,0,0,1,0,0|2,0,0]=3 146 B8R2.55 C1CNC2(C1)CC2 OR312254 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.6 BrCC1CCC1 OR451132 [0,0,0,0,1,0|1,0,0]=2 148 B6R1.6 BrCC1CCO1 OR309080 [0,0,0,0,1,0|1,0,0]=2 149 B6R1.6 BrCC1COC1 OR315564 [0,0,0,0,1,0|2,0,0]=3 150 B6R1.6 CNC1COC1 OR308005 [0,0,0,0,1,0|3,0,0]=4 151 B6R1.6 COC1CNC1 OR301086 [0,0,0,0,1,0|3,0,0]=4 152 B6R1.6 N#CC1CCC1 OR317271 [0,0,0,0,1,0|1,0,1]=3 153 B6R1.6 N#CC1CNC1 OR302435 [0,0,0,0,1,0|2,0,1]=4 154 B6R1.6 N#CC1CNC1 OR309045 [0,0,0,0,1,0|2,0,1]=4 155 B6R1.6 NCC1CCC1 OR308087 [0,0,0,0,1,0|1,0,0]=2 156 B6R1.6 NCC1CCC1 OR312056 [0,0,0,0,1,0|1,0,0]=2 157 B6R1.6 NCC1CCO1 OR61268 [0,0,0,0,1,0|1,0,0]=2 158 B6R1.6 NNC1COC1 OR315180 [0,0,0,0,1,0|3,0,0]=4 159 B6R1.6 O=CC1CCC1 OR313071 [0,0,0,0,1,0|0,0,2]=3 160 B6R1.6 O=CC1COC1 OR309108 [0,0,0,0,1,0|1,0,2]=4 161 B6R1.6 OCC1CCC1 OR61204 [0,0,0,0,1,0|0,0,0]=1 162 B6R1.6 OCC1CCN1 OR309020 [0,0,0,0,1,0|1,0,0]=2 163 B6R1.6 OCC1CNC1 OR308022 [0,0,0,0,1,0|1,0,0]=2 164 B6R1.6 OCC1COC1 OR308006 [0,0,0,0,1,0|1,0,0]=2 165 B6R1.6 OC[C@H]1CCN1 OR317202 [0,0,0,0,1,0|1,0,0]=2 166 B8R1.2 BrCC1CCCOC1 OR70048 [0,0,0,0,0,1|1,0,0]=2 167 B8R1.2 BrCC1CCNCC1 OR60158 [0,0,0,0,0,1|2,0,0]=3 168 B8R1.2 BrCC1CCOCC1 OR10382 [0,0,0,0,0,1|2,0,0]=3 169 B8R1.2 C=CC1CCCCC1 OR11249 [0,0,0,0,0,1|2,0,1]=4 170 B8R1.2 CCC1CCCNC1 OR53185 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.2 CCC1CNCCN1 OR16023 [0,0,0,0,0,1|2,0,0]=3 172 B8R1.2 CCC1COCCN1 OR308179 [0,0,0,0,0,1|2,0,0]=3 173 B8R1.2 CCN1CCNCC1 OR5141 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.2 CC[C@@H]1CCCCN1 OR321328 [0,0,0,0,0,1|2,0,0]=3 175 B8R1.2 CC[C@H]1CCCCN1 OR321204 [0,0,0,0,0,1|2,0,0]=3 176 B8R1.2 CC[C@H]1COCCN1 OR61132 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.2 CNC1CCCCC1 OR8357 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.2 CNC1CCOCC1 OR1026 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.2 COC1CCCNC1 OR302384 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.2 COC1CCNCC1 OR47829 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.2 COC1CCNCC1 OR59470 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.2 ClCC1CCCCO1 OR2054 [0,0,0,0,0,1|1,0,0]=2 183 B8R1.2 Cl[Mg]C1CCCCC1 OR320011 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.2 N#CC1CCCCC1 OR27707 [0,0,0,0,0,1|2,0,1]=4 185 B8R1.2 N#CC1CCCCN1 OR53119 [0,0,0,0,0,1|2,0,1]=4 186 B8R1.2 N#CC1CCCNC1 OR302758 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.2 N#CC1CCNCC1 OR7602 [0,0,0,0,0,1|2,0,1]=4 188 B8R1.2 N#CC1CCSCC1 OR6086 [0,0,0,0,0,1|2,0,1]=4 189 B8R1.2 NCC1CCCCC1 OR5167 [0,0,0,0,0,1|2,0,0]=3 190 B8R1.2 NCC1CCCCN1 OR13713 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.2 NCC1CCCCO1 OR110077 [0,0,0,0,0,1|1,0,0]=2 192 B8R1.2 NCC1CCCCO1 OR60205 [0,0,0,0,0,1|1,0,0]=2 193 B8R1.2 NCC1CCCNC1 OR321303 [0,0,0,0,0,1|2,0,0]=3 194 B8R1.2 NCC1CCCOC1 OR52248 [0,0,0,0,0,1|1,0,0]=2 195 B8R1.2 NCC1CCNCC1 OR43579 [0,0,0,0,0,1|2,0,0]=3 196 B8R1.2 NCC1CCOCC1 OR10333 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.2 NCC1CCOCC1 OR10334 [0,0,0,0,0,1|2,0,0]=3 198 B8R1.2 NCC1CCSCC1 OR15950 [0,0,0,0,0,1|2,0,0]=3 199 B8R1.2 NCC1CNCCO1 OR103657 [0,0,0,0,0,1|1,0,0]=2 200 B8R1.2 NNC1CCCCC1 OR5641 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.2 NNC1CCOCC1 OR303133 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.2 NOC1CCCCO1 OR350311 [0,0,0,0,0,1|2,0,0]=3 203 B8R1.2 O=CC1=COCCC1 OR3126 [0,0,0,0,0,1|0,0,3]=4 204 B8R1.2 O=CC1CCCCC1 OR0996 [0,0,0,0,0,1|1,0,2]=4 205 B8R1.2 O=CC1CCCOC1 OR70049 [0,0,0,0,0,1|0,0,2]=3 206 B8R1.2 O=CC1CCNCC1 OR2970 [0,0,0,0,0,1|1,0,2]=4 207 B8R1.2 O=CC1CCOCC1 OR9347 [0,0,0,0,0,1|1,0,2]=4 208 B8R1.2 O=CC1CCSCC1 OR14931 [0,0,0,0,0,1|1,0,2]=4 209 B8R1.2 OCC1CCC=CO1 OR6613 [0,0,0,0,0,1|0,0,1]=2 210 B8R1.2 OCC1CCCCN1 OR16434 [0,0,0,0,0,1|1,0,0]=2 211 B8R1.2 OCC1CCCCO1 OR5628 [0,0,0,0,0,1|0,0,0]=1 212 B8R1.2 OCC1CCCOC1 OR70047 [0,0,0,0,0,1|0,0,0]=1 213 B8R1.2 OCC1CCNCC1 OR3906 [0,0,0,0,0,1|1,0,0]=2 214 B8R1.2 OCC1CCOCC1 OR10585 [0,0,0,0,0,1|1,0,0]=2 215 B8R1.2 OCC1CCSCC1 OR30548 [0,0,0,0,0,1|1,0,0]=2 216 B8R1.2 OCC1COCCN1 OR926444 [0,0,0,0,0,1|1,0,0]=2 217 B8R1.2 OC[C@@H]1COCCN1 OR308127 [0,0,0,0,0,1|1,0,0]=2 218 B8R1.2 OC[C@H]1COCCN1 OR308126 [0,0,0,0,0,1|1,0,0]=2 219 B5R0.1 C=CC[C@H](C)O OR304051 [1,0,1,0,0,0|0,0,2]=4 220 B5R0.1 CC(C)CCI OR8220 [1,0,1,0,0,0|2,0,0]=4 221 B5R0.1 CC(C)CCN OR12816 [1,0,1,0,0,0|2,0,0]=4 222 B5R0.1 CC(C)CCO OR460021 [1,0,1,0,0,0|2,0,0]=4 223 B5R0.1 CC(O)CC#N OR2847 [1,0,1,0,0,0|1,0,1]=4 224 B5R0.1 CCCB(O)O OR8415 [1,0,1,0,0,0|1,0,0]=3 225 B5R0.1 CCCC(=O)O OR6005 [1,0,1,0,0,0|0,0,2]=4 226 B5R0.1 CCCC(C)N OR10075 [1,0,1,0,0,0|1,0,0]=3 227 B5R0.1 C[C@@H](O)CCO OR2223 [1,0,1,0,0,0|1,0,0]=3 228 B5R0.2 C#CCCCC OR0049 [1,0,1,0,0,0|1,0,1]=4 229 B5R0.2 C#CCCCO OR5518 [1,0,1,0,0,0|0,0,2]=4 230 B5R0.2 C=COCCO OR904259 [1,0,1,0,0,0|0,0,2]=4 231 B5R0.2 CCC#CCC OR5524 [1,0,1,0,0,0|1,0,1]=4 232 B5R0.2 CCC#CCO OR5519 [1,0,1,0,0,0|0,0,2]=4 233 B5R0.2 CCCCC=O OR5422 [1,0,1,0,0,0|0,0,2]=4 234 B5R0.2 CCCCCBr OR5396 [1,0,1,0,0,0|1,0,0]=3 235 B5R0.2 CCCCCI OR53033 [1,0,1,0,0,0|1,0,0]=3 236 B5R0.2 CCCCCN OR10079 [1,0,1,0,0,0|1,0,0]=3 237 B5R0.2 CCCCCO OR5324 [1,0,1,0,0,0|0,0,0]=2 238 B5R0.2 CCCC[Mg]Br OR320111 [1,0,1,0,0,0|2,0,0]=4 239 B5R0.2 CCNCCN OR6517 [1,0,1,0,0,0|2,0,0]=4 240 B5R0.2 CCSCCCl OR10841 [1,0,1,0,0,0|1,1,0]=4 241 B5R0.2 CCSCCN OR8640 [1,0,1,0,0,0|1,1,0]=4 242 B5R0.2 CNCCCO OR309167 [1,0,1,0,0,0|1,0,0]=3 243 B5R0.2 COCCCBr OR911631 [1,0,1,0,0,0|2,0,0]=4 244 B5R0.2 COCCCN OR54484 [1,0,1,0,0,0|2,0,0]=4 245 B5R0.2 COCCCO OR0976 [1,0,1,0,0,0|1,0,0]=3 246 B5R0.2 CSCCCN OR12831 [1,0,1,0,0,0|2,0,0]=4 247 B5R0.2 ClCCCCBr OR919950 [1,0,1,0,0,0|2,0,0]=4 248 B5R0.2 ClCCCCI OR61420 [1,0,1,0,0,0|2,0,0]=4 249 B5R0.2 ICCCCI OR460062 [1,0,1,0,0,0|2,0,0]=4 250 B5R0.2 OCCCCBr OR4233 [1,0,1,0,0,0|1,0,0]=3 251 B5R0.2 OCCCCCl OR13226 [1,0,1,0,0,0|1,0,0]=3 252 B5R0.3 CCC(Br)CBr OR70073 [1,0,1,0,0,0|2,0,0]=4 253 B5R0.3 CCC(C)CN OR28802 [1,0,1,0,0,0|1,0,0]=3 254 B5R0.3 CCC(C)NN OR318093 [1,0,1,0,0,0|2,0,0]=4 255 B5R0.3 CCC(C)OC OR14508 [1,0,1,0,0,0|0,0,0]=2 256 B5R0.3 CCC(N)CC OR10080 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.3 CCC(N)CO OR16670 [1,0,1,0,0,0|1,0,0]=3 258 B5R0.3 CCC(O)CC OR10042 [1,0,1,0,0,0|1,0,0]=3 259 B5R0.3 CCC(O)CN OR1554 [1,0,1,0,0,0|1,0,0]=3 260 B5R0.3 CC[C@@H](N)CO OR5871 [1,0,1,0,0,0|1,0,0]=3 261 B5R0.3 CC[C@@H](O)CO OR52088 [1,0,1,0,0,0|0,0,0]=2 262 B5R0.3 CC[C@H](N)CO OR5854 [1,0,1,0,0,0|1,0,0]=3 263 B5R0.3 CN[C@@H](C)CO OR55461 [1,0,1,0,0,0|1,0,0]=3 264 B5R0.3 CN[C@H](C)CO OR55460 [1,0,1,0,0,0|1,0,0]=3 265 B5R0.3 COC(=O)CO OR21875 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.3 NC(CO)CO OR5368 [1,0,1,0,0,0|2,0,0]=4 267 B5R0.3 NCC(O)CN OR1859 [1,0,1,0,0,0|2,0,0]=4 268 B5R0.3 NCC(O)CO OR10134 [1,0,1,0,0,0|1,0,0]=3 269 B5R0.3 NC[C@H](O)CO OR42150 [1,0,1,0,0,0|1,0,0]=3 270 B5R0.3 OC(CBr)CBr OR1061 [1,0,1,0,0,0|2,0,0]=4 271 B5R0.3 OC(CCl)CCl OR61346 [1,0,1,0,0,0|2,0,0]=4 272 B5R0.3 OCC(Br)CBr OR4897 [1,0,1,0,0,0|2,0,0]=4 273 B5R0.3 OCC(O)CBr OR3095 [1,0,1,0,0,0|1,0,0]=3 274 B5R0.3 OCC(O)CS OR61438 [1,0,1,0,0,0|1,0,0]=3 275 B5R1.1 C1=CCCC1 OR10096 [2,0,0,0,0,0|1,0,1]=4 276 B5R1.1 C1=CCOC1 OR5462 [2,0,0,0,0,0|0,0,2]=4 277 B5R1.1 C1=COCC1 OR2896 [2,0,0,0,0,0|0,0,2]=4 278 B5R1.1 C1=NCCO1 OR305316 [2,0,0,0,0,0|1,0,1]=4 279 B5R1.1 C1CCCC1 OR61603 [2,0,0,0,0,0|1,0,0]=3 280 B5R1.1 C1CCNC1 OR0971 [2,0,0,0,0,0|1,0,0]=3 281 B5R1.1 C1CCOC1 OR30761S [2,0,0,0,0,0|0,0,0]=2 282 B5R1.1 C1CNOC1 OR55263 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,1,1,0,0,0|1,0,0]=3 284 B7R0.2 CCC(C)CC(C)C OR52416 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.2 CCC(C)CC(C)N OR2894 [0,1,1,0,0,0|2,0,0]=4 286 B7R0.2 CN(C)CC(O)CCl OR11726 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.3 CCCCC(C)CC OR9114 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,1,1,0,0,0|1,0,0]=3 289 B7R0.3 CCCC[C@H](N)CO OR316034 [0,1,1,0,0,0|1,0,0]=3 290 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.7 CCCC(N)CCC OR6158 [0,1,1,0,0,0|2,0,0]=4 292 B7R0.7 CCOC(=O)COC OR30271 [0,1,1,0,0,0|1,0,1]=4 293 B7R0.7 CSCC(O)CSC OR23811 [0,1,1,0,0,0|1,1,0]=4 294 B7R0.10 OC[C@@H](O)[C@H](O)CO OR315319 [0,1,1,0,0,0|1,0,0]=3 295 B7R0.10 OC[C@H](O)[C@@H](O)CO OR55453 [0,1,1,0,0,0|1,0,0]=3 296 B7R0.1 BrCCCCCCBr OR4509 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.1 C#CCCCCCC OR5513 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.1 C=CCCCCCBr OR60221 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.1 CCCCCCC=O OR6047 [0,1,1,0,0,0|1,0,1]=4 300 B7R0.1 CCCCCCCBr OR2158 [0,1,1,0,0,0|2,0,0]=4 301 B7R0.1 CCCCCCCCl OR18055 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.1 CCCCCCCI OR5427 [0,1,1,0,0,0|2,0,0]=4 303 B7R0.1 CCCCCC[Mg]Cl OR320008 [0,1,1,0,0,0|2,0,0]=4 304 B7R0.1 CCCCCOCC OR51880 [0,1,1,0,0,0|2,0,0]=4 305 B7R0.1 CCCCNCCN OR6518 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.1 ICCCCCCI OR3172 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.1 NCCCCCCN OR8838 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.1 NCCCCCCO OR13708 [0,1,1,0,0,0|1,0,0]=3 309 B7R0.1 O=CCCCCCBr OR52339 [0,1,1,0,0,0|1,0,1]=4 310 B7R0.1 O=CCCCCCCl OR40327 [0,1,1,0,0,0|1,0,1]=4 311 B7R0.1 OCCCCCCBr OR10365 [0,1,1,0,0,0|1,0,0]=3 312 B7R0.1 OCCCCCCCl OR6510 [0,1,1,0,0,0|1,0,0]=3 313 B7R0.1 OCCCCCCO OR322268 [0,1,1,0,0,0|0,0,0]=2 314 B7R0.4 CCCCCC(=O)O OR6007 [0,1,1,0,0,0|1,0,1]=4 315 B7R0.4 CCCCCC(C)N OR10072 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.4 NCCCCC(=O)O OR310635 [0,1,1,0,0,0|1,0,1]=4 317 B7R0.4 O=C(O)CCCCBr OR9972 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.4 O=C(O)COCCCl OR301184 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.15 COC(OC)[C@@H](C)N OR70041 [0,1,1,0,0,0|2,0,0]=4 320 B7R0.15 COC(OC)[C@H](C)N OR70039 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.18 CCC(C)(OC)OC OR51925 [0,1,1,0,0,0|2,0,0]=4 322 B7R1.2 CC1CCC(C)N1 OR014993 [1,1,0,0,0,0|1,0,0]=3 323 B7R1.2 CC1CCC(C)N1 OR2880 [1,1,0,0,0,0|1,0,0]=3 324 B7R1.2 CN1CCC(O)C1 OR5467 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.2 CN1CC[C@H](N)C1 OR308140 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [1,1,0,0,0,0|1,0,1]=4 329 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [1,1,0,0,0,0|1,0,0]=3 330 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [1,1,0,0,0,0|0,0,2]=4 331 B7R1.4 CC1CCOC1=O OR55456 [1,1,0,0,0,0|0,0,2]=4 332 B7R1.4 CC1OCCC1=O OR28730 [1,1,0,0,0,0|0,0,1]=3 333 B7R1.4 NC1CCOC1=O OR5100 [1,1,0,0,0,0|0,0,2]=4 334 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [1,1,0,0,0,0|1,0,0]=3 335 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [1,1,0,0,0,0|1,0,0]=3 337 B7R1.4 N[C@@H]1COC[C@@H]1O OR307686 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.4 N[C@H]1CCOC1=O OR54538 [1,1,0,0,0,0|0,0,2]=4 339 B7R1.4 O=C1CCCC1Cl OR5230 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 O=C1NCCC1O OR40442 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.4 O=C1OCCC1Br OR5280 [1,1,0,0,0,0|0,0,2]=4 342 B7R1.4 O=C1OCC[C@@H]1O OR315288 [1,1,0,0,0,0|0,0,2]=4 343 B7R1.4 O=C1OCC[C@H]1O OR315289 [1,1,0,0,0,0|0,0,2]=4 344 B7R1.4 O[C@@H]1CNC[C@H]1O OR55391 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.4 O[C@@H]1CNC[C@H]1O OR55392 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.4 O[C@H]1COC[C@@H]1O OR8886 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.14 CC1(C)COCN1 OR54412 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.14 CC1(N)CCCC1 OR52580 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.6 CCNC1COC1 OR312181 [0,1,0,0,1,0|2,0,0]=4 350 B7R1.6 COCC1CNC1 OR309003 [0,1,0,0,1,0|1,0,0]=3 351 B7R1.6 ClCCN1CCC1 OR0988 [0,1,0,0,1,0|2,0,0]=4 352 B7R1.6 NCCN1CCC1 OR54542 [0,1,0,0,1,0|2,0,0]=4 353 B7R1.6 OCCC1COC1 OR309064 [0,1,0,0,1,0|1,0,0]=3 354 B7R1.10 C=C1CC(CN)C1 OR6220 [0,1,0,0,1,0|1,0,1]=4 355 B7R1.10 CN1CC(CN)C1 OR308029 [0,1,0,0,1,0|2,0,0]=4 356 B7R1.10 COC1CC(N)C1 OR317064 [0,1,0,0,1,0|2,0,0]=4 357 B7R1.10 CO[C@H]1C[C@@H](Br)C1 OR55390 [0,1,0,0,1,0|2,0,0]=4 358 B7R1.10 NCC1CC(O)C1 OR317061 [0,1,0,0,1,0|1,0,0]=3 359 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [0,1,0,0,1,0|1,0,0]=3 360 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [0,1,0,0,1,0|1,0,0]=3 361 B7R1.10 N[C@H]1C[C@@H](CO)C1 OR308093 [0,1,0,0,1,0|0,0,0]=2 362 B7R1.10 O=C1CC(CBr)C1 OR317135 [0,1,0,0,1,0|1,0,1]=4 363 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,0,1,0|0,0,1]=3 364 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,0,1,0|1,0,1]=4 365 B7R1.10 OCC1CC(Cl)C1 OR54434 [0,1,0,0,1,0|0,0,0]=2 366 B7R1.18 N=C(N)C1CCC1 OR46519 [0,1,0,0,1,0|1,0,1]=4 367 B7R1.18 O=C(Cl)C1CCC1 OR28716 [0,1,0,0,1,0|0,0,2]=4 368 B7R1.18 O=C(O)C1CCC1 OR8888 [0,1,0,0,1,0|0,0,1]=3 369 B7R1.18 O=C(O)C1CNC1 OR0961 [0,1,0,0,1,0|1,0,1]=4 370 B7R1.18 O=C(O)C1COC1 OR309073 [0,1,0,0,1,0|1,0,1]=4 371 B7R1.18 O=C(O)C1CSC1 OR312065 [0,1,0,0,1,0|1,0,1]=4 372 B7R1.18 O=C(O)[C@@H]1CCN1 OR1250T [0,1,0,0,1,0|1,0,1]=4 373 B7R1.18 OB(O)C1CCC1 OR60086 [0,1,0,0,1,0|1,0,0]=3 374 B7R1.25 CC1(CBr)COC1 OR309052 [0,1,0,0,1,0|2,0,0]=4 375 B7R1.25 CC1(CN)CCC1 OR317109 [0,1,0,0,1,0|1,0,0]=3 376 B7R1.25 CC1(CO)CCO1 OR309085 [0,1,0,0,1,0|0,0,0]=2 377 B7R1.25 CC1(CO)CSC1 OR312064 [0,1,0,0,1,0|1,0,0]=3 378 B7R1.25 NC1(CO)CCC1 OR317075 [0,1,0,0,1,0|0,0,0]=2 379 B7R1.25 NC1(CO)COC1 OR309090 [0,1,0,0,1,0|1,0,0]=3 380 B7R1.25 OCC1(O)CCC1 OR54527 [0,1,0,0,1,0|0,0,0]=2 381 B7R1.25 OCC1(O)CNC1 OR306501 [0,1,0,0,1,0|1,0,0]=3 382 B9R1.1 CC1=CCC(CO)CC1 OR52288 [0,1,0,0,0,1|1,0,1]=4 383 B9R1.1 CCC1CCC(=O)CC1 OR5042 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 CCC1CCC(C)NC1 OR30399 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 CCC1CCC(N)CC1 OR12347 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 CN1CCC(CN)CC1 OR5892 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 CN1CCC(CN)CC1 OR7315 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 NC1CCC(CO)CC1 OR60259 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.1 N[C@H]1CC[C@H](CO)CC1 OR54577 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.1 O=C1CCC(CO)CC1 OR6431 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.2 CN1CCCC(CBr)C1 OR55482 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 CN1CCCC(CN)C1 OR5898 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 CN1CCCC(CO)C1 OR7690 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.2 CN1CCC[C@@H](CBr)C1 OR55483 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 CN1CCC[C@@H](CO)C1 OR15995 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.2 CN1CCC[C@H](CBr)C1 OR55484 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 CN1CCC[C@H](CO)C1 OR15996 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.2 CN1CCOC(CO)C1 OR55500 [0,1,0,0,0,1|0,0,0]=2 399 B9R1.2 CN1CCO[C@@H](CO)C1 OR55502 [0,1,0,0,0,1|0,0,0]=2 400 B9R1.2 CN1CCO[C@H](CO)C1 OR55501 [0,1,0,0,0,1|0,0,0]=2 401 B9R1.2 O=C1CCCC(CO)C1 OR40418 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.6 CC(C)C1COCCN1 OR308180 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.6 CC(C)[C@@H]1CNCCO1 OR308188 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.6 CC(C)[C@H]1CNCCN1 OR15977 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.6 O=C(Cl)C1CCCCO1 OR346346 [0,1,0,0,0,1|0,0,2]=4 406 B9R1.6 O=C(O)C1=COCCC1 OR303311 [0,1,0,0,0,1|0,0,2]=4 407 B9R1.6 O=C(O)C1CCCCC1 OR40331 [0,1,0,0,0,1|1,0,1]=4 408 B9R1.6 O=C(O)C1CCCCN1 OR6924 [0,1,0,0,0,1|1,0,1]=4 409 B9R1.6 O=C(O)C1CCCNC1 OR8589 [0,1,0,0,0,1|1,0,1]=4 410 B9R1.6 O=C(O)C1CCCOC1 OR70150 [0,1,0,0,0,1|0,0,1]=3 411 B9R1.6 O=C(O)C1CCNCC1 OR6923 [0,1,0,0,0,1|1,0,1]=4 412 B9R1.6 O=C(O)C1CCOCC1 OR10587 [0,1,0,0,0,1|1,0,1]=4 413 B9R1.6 O=C(O)C1CCSCC1 OR15954 [0,1,0,0,0,1|1,0,1]=4 414 B9R1.6 O=C(O)C1CNCCN1 OR0237 [0,1,0,0,0,1|1,0,1]=4 415 B9R1.6 O=C(O)C1CNCCN1 OR4574 [0,1,0,0,0,1|1,0,1]=4 416 B9R1.6 O=C(O)C1CNCCO1 OR308153 [0,1,0,0,0,1|0,0,1]=3 417 B9R1.6 O=C(O)C1CNCCO1 OR350283 [0,1,0,0,0,1|0,0,1]=3 418 B9R1.6 O=C(O)C1CSCCN1 OR6324 [0,1,0,0,0,1|1,0,1]=4 419 B9R1.6 O=C(O)[C@@H]1CCCNC1 OR8967 [0,1,0,0,0,1|1,0,1]=4 420 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR15638 [0,1,0,0,0,1|1,0,1]=4 421 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR40310 [0,1,0,0,0,1|1,0,1]=4 422 B9R1.6 O=C(O)[C@@H]1CNCCO1 OR308154 [0,1,0,0,0,1|0,0,1]=3 423 B9R1.6 O=C(O)[C@@H]1COCCN1 OR52358 [0,1,0,0,0,1|1,0,1]=4 424 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [0,1,0,0,0,1|1,0,1]=4 425 B9R1.6 O=C(O)[C@H]1CCCNC1 OR8968 [0,1,0,0,0,1|1,0,1]=4 426 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15637 [0,1,0,0,0,1|1,0,1]=4 427 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15639 [0,1,0,0,0,1|1,0,1]=4 428 B9R1.6 O=C(O)[C@H]1CNCCO1 OR308155 [0,1,0,0,0,1|0,0,1]=3 429 B9R1.6 O=C(O)[C@H]1COCCN1 OR52357 [0,1,0,0,0,1|1,0,1]=4 430 B9R1.6 OB(O)C1CCCCC1 OR13116 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.8 BrCCC1CCOCC1 OR451047 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.8 CCCC1CCNCC1 OR18730 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.8 CCC[C@@H]1CCCCN1 OR321207 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.8 CCN[C@@H]1CCCNC1 OR61261 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.8 CNCC1CCOCC1 OR30801 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.8 COCC1CCNCC1 OR55162 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.8 COC[C@@H]1COCCN1 OR308172 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.8 N#CCC1CCNCC1 OR310165 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.8 N#CCC1CCOCC1 OR5629 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.8 NCCC1CCOCC1 OR10327 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.8 NCCC1CCOCC1 OR10492 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.8 NNCC1CCCCC1 OR0199 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.8 NNCC1CCOCC1 OR306224 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.8 O=CCC1CCCCC1 OR30546 [0,1,0,0,0,1|1,0,1]=4 445 B9R1.8 OCCC1CCCNC1 OR321304 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.8 OCCC1CCNCC1 OR8972 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.8 OCCC1CCOCC1 OR14942 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.8 OCCN1CCNCC1 OR18310 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.15 CN1CCOCC1CBr OR54408 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.15 CN1CCOCC1CO OR55495 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.15 CN1CCOC[C@@H]1CO OR55496 [0,1,0,0,0,1|1,0,0]=3 452 B9R1.15 CN1CCOC[C@H]1CO OR55497 [0,1,0,0,0,1|1,0,0]=3 453 B9R1.15 NC[C@@H]1CCCC[C@H]1N OR307559 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.15 NC[C@@H]1CCCC[C@H]1O OR307540 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.15 O=C1CCCCC1CO OR40419 [0,1,0,0,0,1|1,0,0]=3 456 B9R1.118 NC1(CO)CCCCC1 OR61050 [0,1,0,0,0,1|1,0,0]=3 457 B9R1.118 NCC1(O)CCOCC1 OR321313 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.21 COC1CCC(OC)O1 OR43635 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.21 OCC1CCC(CO)N1 OR302377 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 OR61276 [0,2,0,0,0,0|1,0,1]=4 461 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 OR54386 [0,2,0,0,0,0|1,0,1]=4 462 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 OR30677 [0,2,0,0,0,0|1,0,1]=4 463 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 OR307107 [0,2,0,0,0,0|1,0,1]=4 464 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 OR30676 [0,2,0,0,0,0|1,0,1]=4 465 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 OR6733 [0,2,0,0,0,0|1,0,1]=4 466 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 OR30769 [0,2,0,0,0,0|1,0,1]=4 467 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 OR8964 [0,2,0,0,0,0|1,0,1]=4 468 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR17254 [0,2,0,0,0,0|1,0,1]=4 469 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 OR40650 [0,2,0,0,0,0|1,0,1]=4 470 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 OR22101 [0,2,0,0,0,0|0,0,2]=4 471 B9R1.133 CC1(C)OC[C@@H](CO)O1 OR51885 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.133 CC1(C)OC[C@H](CI)O1 OR17695 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.133 CC1(C)OC[C@H](CO)O1 OR40067 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.11 COC(=O)[C@@H]1CCCN1 OR11387 [0,2,0,0,0,0|1,0,1]=4 475 B9R1.11 COC(=O)[C@H]1CCCN1 OR18616 [0,2,0,0,0,0|1,0,1]=4 476 B9R1.41 NN1CCC[C@@H]1C(=O)O OR2800T [0,2,0,0,0,0|1,0,1]=4 477 B9R1.163 C[C@@]1(C(=O)O)CCCN1 OR8903 [0,2,0,0,0,0|1,0,1]=4 478 B9R1.12 COCCC1CCCN1 OR302691 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.12 OCCCC1CCCC1 OR2028 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.12 OCCOC1CCCC1 OR17957 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.12 S=C=NCC1CCCO1 OR28870 [0,2,0,0,0,0|0,1,0]=3 482 B9R1.13 CC(C)CC1CCCN1 OR12520 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.13 O=C(O)CC1CCCC1 OR6624 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.13 O=C(O)CC1CCNC1 OR70020 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.13 O=C(O)CN1CCCC1 OR5655 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.14 CCN1CCCC1CN OR63012 [0,2,0,0,0,0|2,0,0]=4 487 B9R1.14 CCN1CCC[C@H]1CN OR5103 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.24 C[C@]1(N)CCC[C@H]1CO OR307598 [0,2,0,0,0,0|1,0,0]=3 489 B7R1.3 CC1CCCCN1 OR8797 [0,0,1,1,0,0|2,0,0]=4 490 B7R1.3 CC1CCCNC1 OR5090 [0,0,1,1,0,0|2,0,0]=4 491 B7R1.3 CC1CCOCO1 OR10967 [0,0,1,1,0,0|2,0,0]=4 492 B7R1.3 CC1CNCCN1 OR4860 [0,0,1,1,0,0|2,0,0]=4 493 B7R1.3 CC1CNCCO1 OR301073 [0,0,1,1,0,0|1,0,0]=3 494 B7R1.3 CC1COCCN1 OR41010 [0,0,1,1,0,0|1,0,0]=3 495 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,0,1,1,0,0|2,0,0]=4 496 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,0,1,1,0,0|2,0,0]=4 497 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,0,1,1,0,0|1,0,0]=3 498 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,0,1,1,0,0|1,0,0]=3 499 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,0,1,1,0,0|1,0,0]=3 500 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,0,1,1,0,0|2,0,0]=4 501 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,0,1,1,0,0|1,0,0]=3 502 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,0,1,1,0,0|1,0,0]=3 503 B7R1.3 C[C@H]1COCCN1 OR308174 [0,0,1,1,0,0|1,0,0]=3 504 B7R1.3 NC1CCCNC1 OR6131 [0,0,1,1,0,0|2,0,0]=4 505 B7R1.3 NC1CCCOC1 OR52254 [0,0,1,1,0,0|1,0,0]=3 506 B7R1.3 NC1CCCOC1 OR70184 [0,0,1,1,0,0|1,0,0]=3 507 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,0,1,1,0,0|2,0,0]=4 508 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,0,1,1,0,0|2,0,0]=4 509 B7R1.3 O=C1CCCOC1 OR301349 [0,0,1,1,0,0|0,0,2]=4 510 B7R1.3 OC1CCCNC1 OR350185 [0,0,1,1,0,0|1,0,0]=3 511 B7R1.3 OC1CCCOC1 OR46583 [0,0,1,1,0,0|0,0,0]=2 512 B7R1.3 OC1CCNCC1 OR9943 [0,0,1,1,0,0|2,0,0]=4 513 B7R1.3 OC1CCOCC1 OR14305 [0,0,1,1,0,0|2,0,0]=4 514 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,0,1,1,0,0|1,0,0]=3 515 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,0,1,1,0,0|1,0,0]=3 516 B7R1.3 SC1CCCCC1 OR5294 [0,0,1,1,0,0|1,1,0]=4 517 B7R1.22 NC(CO)C1CC1 OR451109 [0,0,1,1,0,0|1,0,0]=3 518 B7R1.7 CCCCC1CO1 OR17696 [0,0,1,1,0,0|1,0,0]=3 519 B7R1.24 C1CNCCNC1 OR0503 [0,0,1,1,0,0|2,0,0]=4 520 B7R1.29 NCC1(CO)CC1 OR315352 [0,0,1,1,0,0|2,0,0]=4 521 B7R1.29 OCC1(CO)CC1 OR6432 [0,0,1,1,0,0|2,0,0]=4 522 B7R2.13 C1CC2OC2C1 OR4849 [1,0,0,1,0,0|1,0,0]=3 523 B7R2.13 C1NCC2CC12 OR40404 [1,0,0,1,0,0|2,0,0]=4 524 B7R2.13 C1OCC2OC12 OR10868 [1,0,0,1,0,0|2,0,0]=4 525 B9R2.49 C1CC2CCC1CN2 OR302440 [0,0,0,1,0,1|2,0,0]=4 526 B9R2.65 [C@@H]12CNC[C@@H]1C2CO OR61350 [0,0,0,1,0,1|1,0,0]=3 527 B9R2.68 C1CC2CCC(C1)N2 OR302756 [0,0,0,1,0,1|2,0,0]=4 528 B9R2.68 C1CC2CCC(C1)N2 OR70094 [0,0,0,1,0,1|2,0,0]=4 529 B9R2.68 C1CC2COCC1N2 OR321356 [0,0,0,1,0,1|2,0,0]=4 530 B9R2.174 C1CC2(CCN1)CC2 OR312258 [0,0,0,1,0,1|2,0,0]=4 531 B9R2.39 [C@H]12CN(C)[C@H](CN1)C2 OR55209 [0,1,0,1,0,0|2,0,0]=4 532 B9R2.173 C1CC2(CN1)COC2 OR301342 [0,1,0,1,0,0|2,0,0]=4 533 B9R2.173 C1CCC2(C1)CNC2 OR312323 [0,1,0,1,0,0|2,0,0]=4 534 B9R2.173 C1CCC2(C1)CNC2 OR55128 [0,1,0,1,0,0|2,0,0]=4 535 B9R2.173 C1CNC2(C1)COC2 OR317053 [0,1,0,1,0,0|1,0,0]=3 536 B9R3.1 C12CC3C(C1)C3C2 OR22162 [0,0,0,2,0,0|2,0,0]=4 537 B5R1.2 BrC1CCC1 OR41168 [1,0,0,0,1,0|1,0,0]=3 538 B5R1.2 BrC1COC1 OR301081 [1,0,0,0,1,0|2,0,0]=4 539 B5R1.2 NC1CCC1 OR59991 [1,0,0,0,1,0|1,0,0]=3 540 B5R1.2 NC1COC1 OR308008 [1,0,0,0,1,0|2,0,0]=4 541 B5R1.2 O=C1CCC1 OR30488 [1,0,0,0,1,0|0,0,2]=4 542 B5R1.2 OC1CNC1 OR1873 [1,0,0,0,1,0|1,0,0]=3 543 B5R1.2 OC1CNC1 OR301160 [1,0,0,0,1,0|1,0,0]=3 544 B5R1.2 OC1COC1 OR60206 [1,0,0,0,1,0|1,0,0]=3 545 B5R1.3 BrCC1CC1 OR28323 [0,0,0,0,2,0|1,0,0]=3 546 B5R1.3 C#CC1CC1 OR11148 [0,0,0,0,2,0|1,0,1]=4 547 B5R1.3 C=CC1CO1 OR40458 [0,0,0,0,2,0|1,0,1]=4 548 B5R1.3 CCC1CO1 OR40339 [0,0,0,0,2,0|1,0,0]=3 549 B5R1.3 CC[C@@H]1CO1 OR42174 [0,0,0,0,2,0|1,0,0]=3 550 B5R1.3 CC[C@H]1CO1 OR42173 [0,0,0,0,2,0|1,0,0]=3 551 B5R1.3 ClCC1CC1 OR460074 [0,0,0,0,2,0|1,0,0]=3 552 B5R1.3 ClC[C@@H]1CO1 OR28971 [0,0,0,0,2,0|1,0,0]=3 553 B5R1.3 ClC[C@H]1CO1 OR28970 [0,0,0,0,2,0|1,0,0]=3 554 B5R1.3 N#CC1CC1 OR0999 [0,0,0,0,2,0|1,0,1]=4 555 B5R1.3 NCC1CC1 OR17033 [0,0,0,0,2,0|1,0,0]=3 556 B5R1.3 NCC1CC1 OR1937 [0,0,0,0,2,0|1,0,0]=3 557 B5R1.3 O=CC1CC1 OR52083 [0,0,0,0,2,0|0,0,2]=4 558 B5R1.3 OCC1CC1 OR6507 [0,0,0,0,2,0|0,0,0]=2 559 B5R1.3 OCC1CO1 OR3778 [0,0,0,0,2,0|0,0,0]=2 560 B5R1.3 OC[C@@H]1CO1 OR70065 [0,0,0,0,2,0|0,0,0]=2 561 B5R1.3 OC[C@H]1CO1 OR42180 [0,0,0,0,2,0|0,0,0]=2