0 B6R0.6 C=CCSCCC S357391 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 CCCCCSC S357952 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CCCCNC=O S550981 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCCNCCC R580155 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 CCCOCC#N PH011429 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 CCCSCCO S408859 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.6 CCO/C=N\C#N ANV00247 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CCOCC[Hg]Cl S564443 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 CCSCCCO PH017932 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.6 COCCCC=O CDS022820 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 COCCNC=O PH007296 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 C#CCSCC R436380 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C(=O)CCC=C CDS000721 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.2 C=C=CCCI T230871 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 CCNNCC S814563 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 OC/C=C/CO PH000110 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.1 C(=O)NCCCOC S363286 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.1 C=CCCCCCO S303445 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.1 CCCCCON=O CDS000385 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.1 COCC/C=C/CCl S359556 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.3 C(=O)C(=C)CCCC R425885 [0,1,0,0,0,0|0,0,3]=4 31 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.3 C=CC(O)C/C=C\C T241768 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.3 C=CCCC(O)CC PH011335 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.3 C=CCOC(=O)CBr PH008698 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.3 C=CCSC(C)CC S366307 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,0,0,0,0|1,0,1]=3 38 B7R0.4 C=C=CCCC(=O)O CVT00110 [0,1,0,0,0,0|0,0,3]=4 39 B7R0.4 CC/C=C/CC(C)C R289604 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,0,0,0,0|0,0,2]=3 41 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,0,0,0,0|0,0,2]=3 42 B7R0.4 CCC/C=C/C(C)C R289590 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.4 CCC/C=C/C(C)C S369713 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.4 CCCCCC(=N)N CBR01197 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.4 CCCCNC(=O)C CDS013581 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.4 CCOCCC(=N)N PH016244 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.4 CCOCCC(=O)O S448745 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.4 CNCCCC(=O)O PH006886 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.4 COCCCC(=O)O CDS021485 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.4 CSCCCC(=O)O OTV000795 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.4 NC(=O)CCCCO S441481 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.4 NC(=O)COCCO S449792 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 NCCNCC(=O)O CDS000144 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.4 NCCOCC(=O)O T160229 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.7 C=CCC(O)/C=C\C S505013 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.7 C=CCC(O)CCC S350389 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.7 CCNC(=O)CC#N OTV000131 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 CCOC(=O)CCI T255378 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.7 CCOC(=O)CNC PH000310 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.7 CCOC(=O)CNN CDS009912 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.1 COC1C=CCC1 S702501 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,1,0,0|2,1,0]=4 68 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,1,0,0|2,1,0]=4 71 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 O=CC1CCCO1 CDS005466 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,1,0,0|2,1,0]=4 78 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,1,0,0|1,1,1]=4 79 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.3 O=C1COCCN1 T160245 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.4 OC1C=CCC1O PH007055 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.6 COC=C1COC1 SYX00441 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.24 C1=CCCC=CC1 T178241 [0,0,0,1,0,0|1,0,0]=2 97 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|1,0,1]=4 101 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|0,0,1]=3 105 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|0,0,1]=3 106 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|0,0,1]=3 107 B6R0.1 CCC(=O)COC CDS024044 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.1 CCC(=O)OCS PH000959 [1,1,0,0,0,0|1,1,0]=4 109 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,1]=4 110 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.1 CCSC(=O)CC CDS001498 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|0,0,2]=4 115 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|0,0,0]=2 119 B6R0.4 CCC#CC(=O)C CDS000006 [1,1,0,0,0,0|0,0,2]=4 120 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.4 CCCCC(=N)N PH017352 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|0,1,1]=4 123 B6R0.4 CCCSC(=O)C CDS000298 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.4 CCSCC(=O)C S614262 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,1]=4 128 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.4 NC(=O)CCCCl OTV000845 [1,1,0,0,0,0|1,0,1]=4 131 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.1 C=CCNC(=O)OCC S361445 [0,2,0,0,0,0|2,0,0]=4 134 B8R0.4 C(=C/CCCO)\CCI T166286 [0,2,0,0,0,0|0,0,2]=4 135 B8R0.4 C(=C\CCCO)\CCI T166227 [0,2,0,0,0,0|0,0,2]=4 136 B8R0.4 C(=O)NCCOCCO S405213 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.6 CCC/C=C/C(=O)OC R436038 [0,2,0,0,0,0|0,0,2]=4 138 B8R0.6 CCCCCC(=O)NN S849049 [0,2,0,0,0,0|0,0,2]=4 139 B8R0.6 CCCCCC(=O)SC CDS010601 [0,2,0,0,0,0|0,0,2]=4 140 B8R0.6 CCOCCC(=O)OC PH000125 [0,2,0,0,0,0|1,0,1]=4 141 B8R0.6 CCSCCC(=O)OC S365688 [0,2,0,0,0,0|1,0,1]=4 142 B8R0.7 C#C/C=C/CCC(=O)O CVT00120 [0,2,0,0,0,0|0,0,2]=4 143 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,2,0,0,0,0|0,0,2]=4 144 B8R0.7 C=C/C=C/CCC(=O)O CVT00134 [0,2,0,0,0,0|0,0,2]=4 145 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,2,0,0,0,0|0,0,0]=2 146 B8R0.7 CCCCCOC(=O)Cl CDS000346 [0,2,0,0,0,0|0,0,2]=4 147 B8R0.7 CCCCOCC(=O)O CDS008145 [0,2,0,0,0,0|0,0,2]=4 148 B8R0.7 CCCNCCC(=O)O OTV000481 [0,2,0,0,0,0|0,0,2]=4 149 B8R0.7 CCSCCCC(=O)O PH008798 [0,2,0,0,0,0|0,0,2]=4 150 B8R0.7 NC(=O)CCCCCBr CDS003086 [0,2,0,0,0,0|0,0,2]=4 151 B8R0.7 NCCCCCC(=O)N CDS015235 [0,2,0,0,0,0|0,0,2]=4 152 B8R0.7 NCCSCCC(=O)O PH011733 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.7 O=C(O)CCNCCO S888699 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.7 O=C(O)CCOCCO CDS021155 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.8 CCC/C=C(\C)/C(=O)O CDS000408 [0,2,0,0,0,0|0,0,2]=4 156 B8R0.8 CCCCC(C)C(=O)Cl PH011486 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.8 CCCCC(N)C(=O)N CDS003890 [0,2,0,0,0,0|0,0,2]=4 158 B8R0.8 [C@H](N)(CSCC)C(=O)O S361615 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,2,0,0,0,0|0,0,1]=3 162 B8R0.9 CCC(=O)COC(=O)C S362409 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.25 CCCCC(Cl)(Cl)C=O PH014412 [0,2,0,0,0,0|0,0,2]=4 167 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,2,0,0,0,0|1,0,1]=4 168 B8R0.5 CCCC(=O)CC(=O)C S839566 [0,2,0,0,0,0|0,0,1]=3 169 B8R0.5 CCCC(N)CC(=O)O BBO000362 [0,2,0,0,0,0|0,0,2]=4 170 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.28 CC(=O)CCCC(C)C CDS000306 [0,2,0,0,0,0|0,0,2]=4 176 B8R0.28 CC(=O)CSCC(C)C EME00074 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.28 CC(C)COCC(=O)O CDS014100 [0,2,0,0,0,0|1,0,1]=4 179 B8R0.28 CC(C)NCCC(=O)N CDS021106 [0,2,0,0,0,0|1,0,1]=4 180 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,1,0,0|1,0,1]=4 181 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|0,0,0]=2 182 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,1,0,0|2,0,0]=4 183 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|0,0,1]=3 184 B6R1.4 O=C1CCC1=O S869309 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.2 C1(C=CCC=C1)CO T175528 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.2 COC1CC=CCC1 PH007914 [0,1,0,1,0,0|0,0,2]=4 187 B8R1.2 N#CC1CC=CCC1 S454052 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,1,0,0|1,0,1]=4 189 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,1,0,0|0,0,2]=4 190 B8R1.2 O=CC1CCNCC1 CDS013816 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.2 O=CC1CCOCC1 CDS020197 [0,1,0,1,0,0|0,0,2]=4 192 B8R1.2 O=CC1CCSCC1 CDS020250 [0,1,0,1,0,0|0,0,2]=4 193 B8R1.5 CC1CC=CCC1C T152838 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.8 CCCC1C=CCC1 R289795 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,1,0,0|0,1,1]=4 198 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,1,0,0|0,1,1]=4 199 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,1,0,0|0,0,2]=4 202 B8R1.11 CCC1CCNC1=O CBR01663 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.22 O=C1C=CCCC=C1 T167258 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.22 O=C1CCSCCN1 SYX00233 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.22 O=C1CNCCCN1 CDS019453 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.22 O=C1CSCCSC1 CBR01192 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.49 C1=CCOCCCC1 T177512 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,1,0,0|1,1,0]=4 211 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,1,0,0|0,0,2]=4 214 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,1,0,0|0,0,2]=4 215 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,1,0,0|0,0,2]=4 219 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,1,0,0|0,1,1]=4 224 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,1,0,0|0,1,1]=4 225 B8R1.7 CC(N)C1=CCCO1 PH018924 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.7 NC(=O)C1CCCC1 EME00440 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.7 NC(=O)C1CCCN1 CDS008010 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.7 O=C(O)C1CCNC1 CDS007406 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.72 CC1(CC=CCC1)O T180912 [0,1,0,1,0,0|0,0,2]=4 234 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,1,0,0|1,0,1]=4 236 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,1,0,1,0,0|2,0,0]=4 237 B8R2.25 C1=CC[C@H]2C[C@H]2C1 T187259 [0,0,0,2,0,0|1,0,1]=4