0 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,0,0|1,0,1]=2 5 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 OC1CCCO1 CDS007077 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.2 OC1CNOC1 CBR01544 [0,0,0,0,0,0|1,1,2]=4 10 B6R1.2 O[C@H]1CCNC1 CDS003495 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.2 P1(=O)OCCO1 S428957 [0,0,0,0,0,0|4,0,0]=4 12 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,0,0|1,0,1]=3 13 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 BrCC1CCCC1 CDS005521 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 CNC1CCCC1 CDS004583 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 CN[C@@H]1CCNC1 CDS000051 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 CN[C@H]1CCNC1 CDS000053 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,0,0,0|2,0,1]=4 20 B7R1.1 COC1CCNC1 CDS009205 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.1 ClCC1CCOC1 CDS022549 [0,1,0,0,0,0|1,1,1]=4 22 B7R1.1 NCC1CCCC1 SYX00193 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 NCC1CCNC1 CDS009628 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,0,0,0|1,0,1]=3 30 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.4 CC1CCCC1C R289701 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.4 CC1CCCC1O CDS001174 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.4 NC1CCSC1=O S784036 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.4 NN1CCOC1=O S462624 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.4 N[C@H]1COC[C@@H]1O CDS019175 [0,1,0,0,0,0|0,1,2]=4 43 B7R1.4 N[C@H]1COC[C@H]1O CBR01676 [0,1,0,0,0,0|0,1,2]=4 44 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.4 O[C@H]1CNC[C@@H]1O CDS018735 [0,1,0,0,0,0|1,0,2]=4 47 B7R1.14 Br[Se]1(CCCC1)Br S101559 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.14 FC1(CCNC1)F CDS016868 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.1 C=C(C)CSC S866024 [0,0,1,0,0,0|1,0,0]=2 52 B5R0.1 C=COC(=O)C S458201 [0,0,1,0,0,0|2,0,1]=4 53 B5R0.1 CC(=O)/C=C\N S312274 [0,0,1,0,0,0|1,0,2]=4 54 B5R0.1 CC(=O)CCN OTV000740 [0,0,1,0,0,0|1,0,0]=2 55 B5R0.1 CC(C)CCCl S564524 [0,0,1,0,0,0|2,0,1]=4 56 B5R0.1 CN(C)CCBr PH011840 [0,0,1,0,0,0|3,0,0]=4 57 B5R0.1 CN(C)CCO S573124 [0,0,1,0,0,0|2,1,0]=4 58 B5R0.1 CNCC(=O)C CBR02406 [0,0,1,0,0,0|1,0,0]=2 59 B5R0.1 CNCC(C)C CDS000422 [0,0,1,0,0,0|2,0,1]=4 60 B5R0.1 COCC(=N)N CBR01671 [0,0,1,0,0,0|2,1,0]=4 61 B5R0.1 COCC(=O)N S371874 [0,0,1,0,0,0|1,1,0]=3 62 B5R0.1 COC[C@@H](C)N CDS023796 [0,0,1,0,0,0|1,1,1]=4 63 B5R0.1 COC[C@H](C)N CDS001149 [0,0,1,0,0,0|1,1,1]=4 64 B5R0.1 CONC(=O)N S802999 [0,0,1,0,0,0|2,1,0]=4 65 B5R0.1 CSCC(=N)N OTV000870 [0,0,1,0,0,0|2,0,0]=3 66 B5R0.1 N=C(N)CCO PH014361 [0,0,1,0,0,0|2,1,0]=4 67 B5R0.1 NCCC(=O)N CDS000027 [0,0,1,0,0,0|2,0,0]=3 68 B5R0.1 O=C(O)C[Hg]Cl S881910 [0,0,1,0,0,0|3,0,0]=4 69 B5R0.2 C#CCSCC R436380 [0,0,1,0,0,0|1,0,1]=3 70 B5R0.2 C(=O)CCC=C CDS000721 [0,0,1,0,0,0|1,0,1]=3 71 B5R0.2 C=CCNCC PH014544 [0,0,1,0,0,0|2,0,0]=3 72 B5R0.2 C=CCSCC S620327 [0,0,1,0,0,0|1,0,0]=2 73 B5R0.2 CCCCSC S447420 [0,0,1,0,0,0|1,0,1]=3 74 B5R0.2 CCCC[Hg]Cl S829617 [0,0,1,0,0,0|3,0,0]=4 75 B5R0.2 CCCNCC CDS000615 [0,0,1,0,0,0|2,0,1]=4 76 B5R0.2 CCCOCC CDS000380 [0,0,1,0,0,0|1,1,1]=4 77 B5R0.2 CCOCCN CDS000379 [0,0,1,0,0,0|1,1,1]=4 78 B5R0.2 CCSCCO PH011451 [0,0,1,0,0,0|0,0,2]=3 79 B5R0.2 CNCCCBr PH013730 [0,0,1,0,0,0|2,0,1]=4 80 B5R0.2 COCCSC S698245 [0,0,1,0,0,0|2,0,0]=3 81 B5R0.2 CSCCC#N T160407 [0,0,1,0,0,0|1,0,1]=3 82 B5R0.3 C/C(=N\O)/CS R262161 [0,0,1,0,0,0|3,0,0]=4 83 B5R0.3 CCC(=O)CO R277614 [0,0,1,0,0,0|0,1,0]=2 84 B5R0.3 CCC(N)CC TMT00064 [0,0,1,0,0,0|2,0,1]=4 85 B5R0.3 CCC(O)CBr PH018186 [0,0,1,0,0,0|1,0,2]=4 86 B5R0.3 CCC(O)CN CDS000624 [0,0,1,0,0,0|1,0,2]=4 87 B5R0.3 CCN(O)CC S623067 [0,0,1,0,0,0|2,0,1]=4 88 B5R0.3 CC[Tl](Br)CC S837075 [0,0,1,0,0,0|3,0,0]=4 89 B5R0.3 CC[Tl](I)CC S837083 [0,0,1,0,0,0|3,0,0]=4 90 B5R0.3 CNC(=O)CCl OTV000964 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.3 CNC(=O)NN CDS019843 [0,0,1,0,0,0|3,0,0]=4 92 B7R2.13 C1OCC2C1O2 PHB00276 [0,0,0,1,0,0|0,1,2]=4 93 B5R1.2 O=C1CSC1 SYX00053 [0,0,0,0,1,0|0,0,0]=1 94 B7R1.3 BrC1CCSCC1 CBR02203 [0,0,0,0,0,1|1,0,1]=3 95 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,1|2,0,0]=3 96 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,1|2,0,0]=3 97 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,0,0,1|3,0,0]=4 98 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,0,0,1|3,0,0]=4 99 B7R1.3 CC1CNCCO1 CDS022716 [0,0,0,0,0,1|2,0,1]=4 100 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,0,0,1|2,0,0]=3 101 B7R1.3 NC1CCCCC1 S512877 [0,0,0,0,0,1|2,0,1]=4 102 B7R1.3 NC1CCCCC1 S669822 [0,0,0,0,0,1|2,0,1]=4 103 B7R1.3 NC1CCCCC1 S926507 [0,0,0,0,0,1|2,0,1]=4 104 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,0,0,1|1,1,1]=4 105 B7R1.3 NC1CCOCC1 CDS006264 [0,0,0,0,0,1|1,1,1]=4 106 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,1|0,0,3]=4 107 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,0,0,1|1,0,0]=2 108 B7R1.3 O=C1COCCN1 T160245 [0,0,0,0,0,1|0,1,0]=2 109 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,0,0,1|0,1,0]=2 110 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,0,0,1|0,0,2]=3 111 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,0,0,1|0,0,0]=1 112 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,0,0,1|2,0,0]=3 115 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,0,0,1|1,0,0]=2 116 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,0,0,1|2,0,0]=3 117 B7R1.3 OC1CCCSC1 S461172 [0,0,0,0,0,1|0,0,2]=3 118 B7R1.3 SC1CCNCC1 PHB00269 [0,0,0,0,0,1|1,1,1]=4 119 B7R1.3 SC1CCOCC1 CDS023754 [0,0,0,0,0,1|0,2,1]=4 120 B4R0.1 C=C(C)CN CDS003053 [1,0,1,0,0,0|2,0,0]=4 121 B4R0.1 CC(=O)CN CDS020585 [1,0,1,0,0,0|1,0,0]=3 122 B4R0.1 CCC(=N)N CBR01339 [1,0,1,0,0,0|2,0,0]=4 123 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,1,0,0,0|0,1,0]=3 124 B4R0.1 CCC(=S)N CDS000328 [1,0,1,0,0,0|1,0,1]=4 125 B4R0.1 CNC(=O)Cl CDS009330 [1,0,1,0,0,0|2,0,0]=4 126 B4R0.1 CSC(=O)C CDS001513 [1,0,1,0,0,0|0,0,0]=2 127 B4R0.1 O=C(O)CS CDS000504 [1,0,1,0,0,0|1,0,0]=3 128 B4R0.1 O=C([O-])CO CDS000626 [1,0,1,0,0,0|1,1,0]=4 129 B4R0.2 C=CCCN CDS021978 [1,0,1,0,0,0|1,0,1]=4 130 B4R0.2 CCCC[NH3+] S342920 [1,0,1,0,0,0|1,0,1]=4 131 B4R0.2 CC[PbH2]CC S818542 [1,0,1,0,0,0|1,0,1]=4 132 B4R0.2 CS[PbH2]SC S549991 [1,0,1,0,0,0|2,0,0]=4 133 B4R0.2 N#CCCS OTV000794 [1,0,1,0,0,0|1,0,1]=4 134 B4R0.2 SCCCN OTV000791 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.1 C=C(CO)CCO T293814 [0,1,1,0,0,0|1,1,0]=4 136 B6R0.1 CCC(=O)COC CDS024044 [0,1,1,0,0,0|0,1,0]=3 137 B6R0.1 CCC(=O)OCS PH000959 [0,1,1,0,0,0|1,0,0]=3 138 B6R0.1 CCNC(=O)CBr CBR01984 [0,1,1,0,0,0|2,0,0]=4 139 B6R0.1 CCNC(=O)CCl TMT00299 [0,1,1,0,0,0|2,0,0]=4 140 B6R0.1 CCOC(=O)NC PH010865 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.1 CCSC(=O)CC CDS001498 [0,1,1,0,0,0|2,0,0]=4 142 B6R0.1 CNCC(=O)NC CBR00235 [0,1,1,0,0,0|1,0,0]=3 143 B6R0.1 CNCC(=O)OC PH006931 [0,1,1,0,0,0|1,0,0]=3 144 B6R0.1 [Li]OC(=O)CCC S813958 [0,1,1,0,0,0|2,0,0]=4 145 B6R0.2 C=C(C)CC(C)C R289256 [0,1,1,0,0,0|2,0,0]=4 146 B6R0.2 CC(=N)CC(=O)C S366234 [0,1,1,0,0,0|1,0,0]=3 147 B6R0.2 CC(=O)NC(C)C S378992 [0,1,1,0,0,0|2,0,0]=4 148 B6R0.2 CC(=O)SC(=O)C R425621 [0,1,1,0,0,0|2,0,0]=4 149 B6R0.2 CC(=S)CC(=O)N S704164 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,1,1,0,0,0|2,0,0]=4 151 B6R0.2 CC(Cl)CC(=O)O S419621 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,1,1,0,0,0|2,0,0]=4 153 B6R0.3 CC(CN)C(=O)O CDS014136 [0,1,1,0,0,0|2,0,0]=4 154 B6R0.3 CC(CS)C(=O)O CDS000283 [0,1,1,0,0,0|1,0,0]=3 155 B6R0.3 CCC(C)C(=O)N S799637 [0,1,1,0,0,0|2,0,0]=4 156 B6R0.3 CCC(N)C(=O)N S784044 [0,1,1,0,0,0|2,0,0]=4 157 B6R0.3 CCC(O)C(=O)O CDS000492 [0,1,1,0,0,0|2,0,0]=4 158 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.3 CNC(C)C(=O)N CBR00065 [0,1,1,0,0,0|2,0,0]=4 160 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,1,1,0,0,0|1,1,0]=4 161 B6R0.3 NCC(N)C(=O)O R278769 [0,1,1,0,0,0|2,0,0]=4 162 B6R0.4 C=CCNC(=O)C EME00415 [0,1,1,0,0,0|1,0,1]=4 163 B6R0.4 CC(=O)NCCCl CDS001220 [0,1,1,0,0,0|1,0,0]=3 164 B6R0.4 CC(=O)OCCS S363049 [0,1,1,0,0,0|0,0,0]=2 165 B6R0.4 CCC#CC(=O)C CDS000006 [0,1,1,0,0,0|1,0,1]=4 166 B6R0.4 CCCC=C(C)C S419117 [0,1,1,0,0,0|2,0,0]=4 167 B6R0.4 CCCSC(=O)C CDS000298 [0,1,1,0,0,0|1,0,0]=3 168 B6R0.4 CCNCC(=O)N S877379 [0,1,1,0,0,0|2,0,0]=4 169 B6R0.4 CCNCC(=O)N S986194 [0,1,1,0,0,0|2,0,0]=4 170 B6R0.4 CCSCC(=O)C S614262 [0,1,1,0,0,0|0,0,0]=2 171 B6R0.4 CNCCC(=O)O CDS013939 [0,1,1,0,0,0|2,0,0]=4 172 B6R0.4 CSCCC(=O)Cl CDS000414 [0,1,1,0,0,0|1,0,0]=3 173 B6R0.4 CSCCC(C)C S351520 [0,1,1,0,0,0|1,0,1]=4 174 B6R0.4 N#CCCC(=O)O CDS009069 [0,1,1,0,0,0|2,0,0]=4 175 B6R0.4 NC(=O)CCCCl OTV000845 [0,1,1,0,0,0|2,0,0]=4 176 B6R0.4 NC(=O)NCCCl CDS000493 [0,1,1,0,0,0|2,0,0]=4 177 B6R0.4 O=C(O)CCCS CDS004545 [0,1,1,0,0,0|1,0,0]=3 178 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.6 C=CCSCCC S357391 [0,1,1,0,0,0|1,0,0]=3 180 B6R0.6 CCCCCSC S357952 [0,1,1,0,0,0|1,0,1]=4 181 B6R0.6 CCCCNC=O S550981 [0,1,1,0,0,0|1,0,0]=3 182 B6R0.6 CCCSCCO S408859 [0,1,1,0,0,0|0,0,2]=4 183 B6R0.6 CCSCCCO PH017932 [0,1,1,0,0,0|0,0,2]=4 184 B6R0.6 COCCCC=O CDS022820 [0,1,1,0,0,0|0,1,0]=3 185 B6R0.6 COCCN=C=O CBR02010 [0,1,1,0,0,0|0,1,1]=4 186 B6R0.6 COCCNC=O PH007296 [0,1,1,0,0,0|0,1,0]=3 187 B6R0.6 NCCSCCO S449539 [0,1,1,0,0,0|0,0,2]=4 188 B6R1.4 CC1CCC1=O CDS021461 [0,1,0,0,1,0|0,0,0]=2 189 B6R1.4 O=C1CCC1=O S869309 [0,1,0,0,1,0|0,0,1]=3 190 B6R1.5 CN1CC(C1)N CDS007511 [0,1,0,0,1,0|2,0,0]=4 191 B6R1.5 NC1CC(C1)O CDS022886 [0,1,0,0,1,0|0,0,2]=4 192 B6R1.5 O=C1CC(C1)Br SYX00267 [0,1,0,0,1,0|0,0,0]=2 193 B6R1.6 N#CC1CCC1 CDS014291 [0,1,0,0,1,0|1,0,1]=4 194 B6R1.6 NCC1CCC1 CDS009558 [0,1,0,0,1,0|1,0,1]=4 195 B6R1.10 O=S1(=O)CCC1 S620734 [0,1,0,0,1,0|1,0,0]=3 196 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,0,0,1|0,1,1]=4 198 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,0,0,1|1,0,1]=4 199 B8R1.2 O=CC1CCNCC1 CDS013816 [0,1,0,0,0,1|1,0,1]=4 200 B8R1.2 O=CC1CCOCC1 CDS020197 [0,1,0,0,0,1|0,1,1]=4 201 B8R1.2 O=CC1CCSCC1 CDS020250 [0,1,0,0,0,1|0,0,1]=3 202 B8R1.2 ON=C1CCSCC1 SYX00364 [0,1,0,0,0,1|0,0,1]=3 203 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,0,0,1|1,0,0]=3 206 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,0,0,1|1,0,0]=3 207 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,0,0,1|1,0,0]=3 208 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,0,0,1|1,0,0]=3 209 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,1|1,0,0]=3 210 B8R1.4 CC1CSCC(O1)C S347396 [0,1,0,0,0,1|1,0,1]=4 211 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,0,0,1|1,0,1]=4 212 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,0,0,1|0,0,1]=3 213 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,0,0,1|1,0,0]=3 214 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,0,0,1|1,0,1]=4 215 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,0,0,1|0,0,1]=3 216 B8R1.4 O=S1CCCS(=O)C1 L165794 [0,1,0,0,0,1|1,0,1]=4 217 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,0,0,1|0,0,0]=2 219 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,0,0,1|1,0,1]=4 221 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,0,0,1|1,0,0]=3 222 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,0,0,1|0,1,0]=3 224 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.1 CCC1CNC(=O)C1 CBR00057 [0,2,0,0,0,0|2,0,0]=4 226 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.1 O=C1CC(CN1)CO CDS002555 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,2,0,0,0,0|1,0,1]=4 230 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,2,0,0,0,0|1,0,1]=4 231 B8R1.7 O=C(O)[C@@H]1CSCN1 PH000111 [0,2,0,0,0,0|1,0,1]=4 232 B8R1.8 C(=C1CCCC1)C#N T175536 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.11 CCC1CCNC1=O CBR01663 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.11 N#CC1CCCC1=O CDS020714 [0,2,0,0,0,0|1,0,0]=3 235 B8R1.11 O=C1CCCN1CO S362557 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,2,0,0,0,0|2,0,0]=4 237 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,2,0,0,0,0|1,0,1]=4 238 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,2,0,0,0,0|2,0,0]=4 239 B8R1.50 CC1C(=O)COC1=O S839418 [0,2,0,0,0,0|0,1,1]=4 240 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,2,0,0,0,0|2,0,0]=4 241 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [0,2,0,0,0,0|2,0,0]=4 242 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [0,2,0,0,0,0|2,0,0]=4 243 B8R1.19 CC1CCCS1(=O)=O S566659 [0,2,0,0,0,0|2,0,0]=4 244 B6R1.11 NC(=O)C1CC1 S455989 [0,0,1,1,0,0|2,0,0]=4 245 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,0,0,2|2,0,0]=4 246 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,2|1,0,1]=4 247 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,0,0,2|0,0,0]=2 248 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,0,0,2|1,0,0]=3 249 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,0,0,2|0,0,0]=2 250 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,0,0,2|1,1,0]=4