0 B7R1.3 BrC1=CC=CN=N1 CDS023312 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 BrC1=CN=NC=C1 CDS022809 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 CC1=CCCNC1 PHB00292 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 CC1=CCNCC1 CBR01822 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 NC1=CC=CC=N1 S822329 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.3 NC1=CC=NN=C1 CDS006078 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 NC1CCCCC1 S512877 [0,0,0,0,0,0|1,0,3]=4 13 B7R1.3 NC1CCCCC1 S669822 [0,0,0,0,0,0|1,0,3]=4 14 B7R1.3 NC1CCCCC1 S926507 [0,0,0,0,0,0|1,0,3]=4 15 B7R1.3 NC1CCCOC1 CDS009128 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,0,0,0,0|1,0,2]=3 17 B7R1.3 O=C1C=CNC=C1 T161470 [0,0,0,0,0,0|1,0,2]=3 18 B7R1.3 O=C1C=CSC=C1 T162035 [0,0,0,0,0,0|1,0,2]=3 19 B7R1.3 O=C1CCCNC1 CDS006090 [0,0,0,0,0,0|1,0,1]=2 20 B7R1.3 O=C1COCCN1 T160245 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.3 O=C1COCCO1 PH009771 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.3 O=C1CSC=CN1 OTV000696 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.3 O=C1CSCCN1 PH010392 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.3 O=C1NCCCN1 S436712 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.3 O=C1NCCCO1 CBR00063 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 O=C1OCCCO1 S939668 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 O=S1CCCSC1 S885002 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 O=S1CCNCC1 CDS019871 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,0,0,0,0|1,0,3]=4 30 B7R1.3 OC1CCCSC1 S461172 [0,0,0,0,0,0|1,0,3]=4 31 B7R1.3 S=C1C=CSC=C1 S874310 [0,0,0,0,0,0|1,1,2]=4 32 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,0,0,0,0|0,0,4]=4 33 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,0,0,0,0|0,1,3]=4 34 B6R1.1 C1=CC=CC=C1 S458074 [1,0,0,0,0,0|0,0,3]=4 35 B6R1.1 C1=CC=NC=C1 S503533 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.2 NCC1=CCCCC1 CBR00863 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.2 O=CC1=COCCO1 CDS007966 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 O=CC1CCCCO1 CDS019507 [0,1,0,0,0,0|1,0,2]=4 39 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,1,0,0,0,0|0,0,3]=4 40 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,1,0,0,0,0|1,0,2]=4 42 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,1,0,0,0,0|1,0,2]=4 45 B8R1.3 NC1CCC(=O)CC1 CDS009700 [0,1,0,0,0,0|0,0,2]=3 46 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,1,0,0,0,0|1,0,2]=4 48 B8R1.3 O=C1CCC(CC1)O T292184 [0,1,0,0,0,0|0,0,2]=3 49 B8R1.3 O=C1CC[C@@H](CN1)O CDS010026 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,0,0,0|1,0,2]=4 51 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,1,0,0,0,0|1,0,2]=4 52 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,1,0,0,0,0|1,0,2]=4 53 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,0,0,0|0,0,2]=3 54 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,0,0,0|0,0,0]=1 55 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.4 NC1CCNC(=O)C1 CDS024233 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,1,0,0,0,0|1,0,2]=4 59 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 O=C1NCNC(=O)N1 S347531 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.4 O=S1CCCS(=O)C1 L165794 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.4 OC1C=C(CCC1)Br T262986 [0,1,0,0,0,0|0,0,2]=3 66 B8R1.5 CC1SCCNC1=O R305707 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.5 FC1=C(CCCC1)Br S896187 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.5 N1CCNC(=O)C1=O S15025 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.5 NC1CCCNC1=O CDS020148 [0,1,0,0,0,0|1,0,1]=3 70 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [0,1,0,0,0,0|1,0,1]=3 71 B8R1.5 O=C1C=CC=CN1[K] T160997 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.5 O=C1CCOCC1F SYX00096 [0,1,0,0,0,0|1,0,2]=4 73 B8R1.5 O=C1NC=CC=C1Cl T161063 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.5 OC1CCCC=C1Br T272590 [0,1,0,0,0,0|0,0,2]=3 75 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,0,1,0,0,0|1,0,1]=3 76 B6R0.1 C/C=C\C(C)CC R289485 [0,0,1,0,0,0|1,0,1]=3 77 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,1,0,0,0|1,0,1]=3 78 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,1,0,0,0|1,0,1]=3 79 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.1 CCC(=O)COC CDS024044 [0,0,1,0,0,0|1,0,1]=3 81 B6R0.1 CCC(=O)OCS PH000959 [0,0,1,0,0,0|2,0,1]=4 82 B6R0.1 CCNC(=O)CBr CBR01984 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.1 CCNC(=O)CCl TMT00299 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.1 CCOC(=O)NC PH010865 [0,0,1,0,0,0|2,0,1]=4 85 B6R0.1 CCOC(=O)N[O-] S859273 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.1 CCSC(=O)CC CDS001498 [0,0,1,0,0,0|1,0,1]=3 87 B6R0.1 CNCC(=O)NC CBR00235 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.1 CNCC(=O)OC PH006931 [0,0,1,0,0,0|2,0,1]=4 89 B6R0.1 COC(=O)/C=C\I SYX00331 [0,0,1,0,0,0|2,0,0]=3 90 B6R0.1 [Li]OC(=O)CCC S813958 [0,0,1,0,0,0|2,0,0]=3 91 B6R0.4 C=C(Br)CCCO T297658 [0,0,1,0,0,0|2,0,0]=3 92 B6R0.4 C=CCNC(=O)C EME00415 [0,0,1,0,0,0|1,0,2]=4 93 B6R0.4 C=COCC(=C)C T284386 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.4 CC(=O)NCCCl CDS001220 [0,0,1,0,0,0|2,0,1]=4 95 B6R0.4 CC(=O)OCCS S363049 [0,0,1,0,0,0|2,0,1]=4 96 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,0,1,0,0,0|1,0,0]=2 97 B6R0.4 CCC#CC(=O)C CDS000006 [0,0,1,0,0,0|0,0,2]=3 98 B6R0.4 CCCC=C(C)C S419117 [0,0,1,0,0,0|1,0,1]=3 99 B6R0.4 CCCCC(=N)N PH017352 [0,0,1,0,0,0|2,0,1]=4 100 B6R0.4 CCCCC(=S)N PH000512 [0,0,1,0,0,0|1,1,1]=4 101 B6R0.4 CCCSC(=O)C CDS000298 [0,0,1,0,0,0|1,0,1]=3 102 B6R0.4 CCNCC(=O)N S877379 [0,0,1,0,0,0|2,0,1]=4 103 B6R0.4 CCNCC(=O)N S986194 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.4 CCSCC(=O)C S614262 [0,0,1,0,0,0|1,0,1]=3 105 B6R0.4 CNCCC(=O)O CDS013939 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.4 CO/N=C/C(=O)O CDS023875 [0,0,1,0,0,0|3,0,0]=4 107 B6R0.4 CSCCC(=O)Cl CDS000414 [0,0,1,0,0,0|2,0,1]=4 108 B6R0.4 N#CCCC(=O)O CDS009069 [0,0,1,0,0,0|2,0,1]=4 109 B6R0.4 NC(=O)CCCCl OTV000845 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.4 NC(=O)NCCCl CDS000493 [0,0,1,0,0,0|3,0,0]=4 111 B6R0.4 O=C(O)CCCS CDS004545 [0,0,1,0,0,0|2,0,0]=3 112 B6R0.6 C=CCNCC=C CDS000449 [0,0,1,0,0,0|2,0,0]=3 113 B6R0.6 C=CCSCCC S357391 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.6 CCCCNC=O S550981 [0,0,1,0,0,0|1,0,1]=3 115 B6R0.6 COCCCC=O CDS022820 [0,0,1,0,0,0|1,0,1]=3 116 B6R0.6 COCCNC=O PH007296 [0,0,1,0,0,0|2,0,1]=4 117 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,0,1,0|2,0,1]=4 118 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,0,1,0|3,0,0]=4 119 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,0,1,0|3,0,0]=4 120 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,0,1,0|2,0,1]=4 121 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,0,1,0|3,0,0]=4 122 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,0,1,0|2,0,1]=4 123 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,0,1,0|0,0,2]=3 124 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,0,1,0|2,0,1]=4 125 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,0,1,0|2,0,0]=3 126 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,0,1,0|2,0,1]=4 127 B6R1.2 OC1CCCO1 CDS007077 [0,0,0,0,1,0|1,0,2]=4 128 B6R1.2 P1(=O)OCCO1 S428957 [0,0,0,0,1,0|3,0,0]=4 129 B8R1.22 CC1=NCCCCN1 S168785 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,0,0,0,1|0,0,3]=4 131 B8R1.22 O=C1C=CCCC=C1 T167258 [0,0,0,0,0,1|0,0,1]=2 132 B8R1.22 O=C1CCSCCN1 SYX00233 [0,0,0,0,0,1|1,0,1]=3 133 B8R1.22 O=C1CNCCCN1 CDS019453 [0,0,0,0,0,1|1,0,1]=3 134 B8R1.22 O=C1CSCCSC1 CBR01192 [0,0,0,0,0,1|1,0,1]=3 135 B8R1.22 S=C1NCCCCN1 PH000173 [0,0,0,0,0,1|1,1,1]=4 136 B5R0.1 C=C(C)CSC S866024 [1,0,1,0,0,0|2,0,0]=4 137 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|1,0,1]=4 138 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,0,0]=3 139 B5R0.1 CC(=O)CCN OTV000740 [1,0,1,0,0,0|1,0,1]=4 140 B5R0.1 CNCC(=O)C CBR02406 [1,0,1,0,0,0|1,0,1]=4 141 B5R0.1 COCC(=O)N S371874 [1,0,1,0,0,0|2,0,0]=4 142 B5R0.1 NCCC(=O)N CDS000027 [1,0,1,0,0,0|2,0,0]=4 143 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,1,0,0,0|2,0,0]=4 144 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,1,0,0,0|2,0,0]=4 145 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,1,0,0,0|2,0,0]=4 146 B5R0.2 C(=O)CCC=C CDS000721 [1,0,1,0,0,0|0,0,0]=2 147 B5R0.2 C=C=CCCI T230871 [1,0,1,0,0,0|1,0,1]=4 148 B5R0.2 C=CCNCC PH014544 [1,0,1,0,0,0|1,0,1]=4 149 B5R0.2 C=CCSCC S620327 [1,0,1,0,0,0|1,0,1]=4 150 B5R0.2 C=CSCCO PH007226 [1,0,1,0,0,0|1,0,1]=4 151 B5R0.2 CCC/C=N/O S429139 [1,0,1,0,0,0|1,0,1]=4 152 B5R0.3 CCC(=O)CO R277614 [1,0,1,0,0,0|1,0,1]=4 153 B5R0.3 CNC(=O)CCl OTV000964 [1,0,1,0,0,0|2,0,0]=4 154 B7R0.2 C=CC(O)CC(C)C PH008414 [0,1,1,0,0,0|0,0,2]=4 155 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,1,0,0,0|1,0,1]=4 156 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,1,0,0,0|1,0,1]=4 157 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,1,0,0,0|2,0,0]=4 158 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,1,0,0,0|1,0,0]=3 159 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,1,0,0,0|1,0,0]=3 160 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,1,0,0,0|1,0,1]=4 161 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,1,1,0,0,0|1,0,1]=4 162 B7R0.3 C(=O)C(=C)CCCC R425885 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.3 C=CCOC(=O)C=C S459836 [0,1,1,0,0,0|0,0,2]=4 164 B7R0.3 CCCNC(=O)CCl OTV000047 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.3 CCCOC(=O)CBr PH011324 [0,1,1,0,0,0|1,0,1]=4 166 B7R0.3 CCCOC(=O)CCl S431443 [0,1,1,0,0,0|1,0,1]=4 167 B7R0.3 CCCOC(=O)CN PH019063 [0,1,1,0,0,0|1,0,1]=4 168 B7R0.3 CCOCC(=O)OC EME00071 [0,1,1,0,0,0|1,0,1]=4 169 B7R0.3 CNCCC(=O)NC CBR01261 [0,1,1,0,0,0|1,0,1]=4 170 B7R0.3 COCCC(=O)NN CDS018970 [0,1,1,0,0,0|2,0,0]=4 171 B7R0.3 NNC(=O)CCCO CDS001562 [0,1,1,0,0,0|2,0,0]=4 172 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.5 CCCC(=C(C)C)C R289469 [0,1,1,0,0,0|1,0,1]=4 174 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,1,1,0,0,0|1,0,1]=4 175 B7R0.5 COCC(=O)C(C)C CDS024045 [0,1,1,0,0,0|1,0,1]=4 176 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,1,0,0,0|0,0,2]=4 177 B7R0.7 C=CCC(O)CCC S350389 [0,1,1,0,0,0|0,0,2]=4 178 B7R0.7 CCC/C(=C/C#N)/C PH010112 [0,1,1,0,0,0|1,0,1]=4 179 B7R0.7 CCOC(=O)CCI T255378 [0,1,1,0,0,0|1,0,1]=4 180 B7R0.7 CCOC(=O)CNC PH000310 [0,1,1,0,0,0|1,0,1]=4 181 B7R0.7 CCOC(=O)NNC PH007943 [0,1,1,0,0,0|2,0,0]=4 182 B7R0.7 CCOC(=O)NOC PH005154 [0,1,1,0,0,0|2,0,0]=4 183 B7R0.7 CCSC(=O)SCC S189634 [0,1,1,0,0,0|1,0,1]=4 184 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,1,0,0,0|1,0,0]=3 185 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,1,1,0,0,0|0,0,2]=4 186 B7R0.11 C=CC(C)(O)CCC S504823 [0,1,1,0,0,0|0,0,2]=4 187 B7R0.4 C/C(=C\CCCBr)/Br S877557 [0,1,1,0,0,0|1,0,1]=4 188 B7R0.4 C=C(Br)CCCCBr S881252 [0,1,1,0,0,0|1,0,1]=4 189 B7R0.4 C=C=CCCC(=O)O CVT00110 [0,1,1,0,0,0|1,0,1]=4 190 B7R0.4 C=CCCOC(=O)C S510343 [0,1,1,0,0,0|0,0,2]=4 191 B7R0.4 C=CCOCC(=O)O CDS023318 [0,1,1,0,0,0|1,0,1]=4 192 B7R0.4 CC(=O)NCCCO OTV000276 [0,1,1,0,0,0|1,0,1]=4 193 B7R0.4 CC(=O)OCCCS S786683 [0,1,1,0,0,0|1,0,1]=4 194 B7R0.4 CC/C=C/CC(C)C R289604 [0,1,1,0,0,0|1,0,1]=4 195 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,1,0,0,0|0,0,0]=2 196 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,1,0,0,0|1,0,0]=3 197 B7R0.4 CCC/C=C/C(C)C R289590 [0,1,1,0,0,0|1,0,1]=4 198 B7R0.4 CCC/C=C/C(C)C S369713 [0,1,1,0,0,0|1,0,1]=4 199 B7R0.4 CCCCNC(=O)C CDS013581 [0,1,1,0,0,0|0,0,2]=4 200 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,1,1,0,0,0|1,0,0]=3 201 B7R0.4 CCOCCC(=O)O S448745 [0,1,1,0,0,0|1,0,1]=4 202 B7R0.4 CNCCCC(=O)O PH006886 [0,1,1,0,0,0|1,0,1]=4 203 B7R0.4 COCCCC(=O)O CDS021485 [0,1,1,0,0,0|1,0,1]=4 204 B7R0.4 CSCCCC(=O)O OTV000795 [0,1,1,0,0,0|1,0,1]=4 205 B7R0.4 CSCCOC(=O)C S375721 [0,1,1,0,0,0|1,0,1]=4 206 B7R0.4 N#CCCCC(=O)O CDS007802 [0,1,1,0,0,0|1,0,1]=4 207 B7R0.4 NC(=O)CCCCO S441481 [0,1,1,0,0,0|1,0,1]=4 208 B7R0.4 NC(=O)COCCO S449792 [0,1,1,0,0,0|2,0,0]=4 209 B7R0.4 NCCNCC(=O)O CDS000144 [0,1,1,0,0,0|2,0,0]=4 210 B7R0.4 NCCOCC(=O)O T160229 [0,1,1,0,0,0|2,0,0]=4 211 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,1,1,0,0,0|1,0,0]=3 212 B7R0.6 CC(C)/C=C/C(C)C R289566 [0,1,1,0,0,0|1,0,1]=4 213 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,1,1,0,0,0|1,0,1]=4 214 B7R0.6 CC(O)/C=C/C(C)O S450693 [0,1,1,0,0,0|0,0,2]=4 215 B7R0.1 C(=O)NCCCOC S363286 [0,1,1,0,0,0|1,0,1]=4 216 B7R0.1 C/C=C\CCCCO S310700 [0,1,1,0,0,0|0,0,2]=4 217 B7R0.1 C=CCCCCCO S303445 [0,1,1,0,0,0|0,0,2]=4 218 B7R0.1 CCOC/C=C/C#N PH001325 [0,1,1,0,0,0|1,0,1]=4 219 B7R0.1 COCC/C=C/CCl S359556 [0,1,1,0,0,0|1,0,1]=4 220 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,0,1,0|1,0,1]=4 221 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,0,1,0|1,0,1]=4 222 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,0,1,0|1,0,1]=4 223 B7R1.1 COC1C=CCC1 S702501 [0,1,0,0,1,0|0,0,2]=4 224 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,1,0,0,1,0|2,0,0]=4 225 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,1,0,0,1,0|2,0,0]=4 226 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,1,0,0,1,0|2,0,0]=4 227 B7R1.1 O=CC1CCCO1 CDS005466 [0,1,0,0,1,0|1,0,1]=4 228 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,0,1,0|1,0,0]=3 229 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,0,1,0|2,0,0]=4 230 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,0,1,0|2,0,0]=4 231 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,0,1,0|2,0,0]=4 232 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,0,1,0|2,0,0]=4 233 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,0,1,0|0,0,0]=2 234 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,1,0,0,1,0|1,0,0]=3 235 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,0,1,0|1,0,1]=4 236 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,0,1,0|1,0,0]=3 237 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,0,1,0|1,0,0]=3 238 B7R1.2 OC1C=CC(C1)O S779164 [0,1,0,0,1,0|0,0,2]=4 239 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,0,1,0|1,0,0]=3 240 B7R1.4 CC1=CCCC1O T295310 [0,1,0,0,1,0|1,0,0]=3 241 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,0,1,0|2,0,0]=4 242 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,0,1,0|1,0,0]=3 243 B7R1.4 NC1CCSC1=O S784036 [0,1,0,0,1,0|1,0,0]=3 244 B7R1.4 NN1CCOC1=O S462624 [0,1,0,0,1,0|2,0,0]=4 245 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,0,1,0|1,0,0]=3 246 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,0,1,0|1,0,0]=3 247 B7R1.4 OC1C=CCC1O PH007055 [0,1,0,0,1,0|0,0,2]=4 248 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,0,1,0|1,0,0]=3 249 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,0,1,0|1,0,0]=3 250 B9R1.5 N[C@@H]1CCCCNC1=O CDS006947 [0,1,0,0,0,1|0,0,2]=4 251 B9R1.5 O=C1CCCCCC1=O PH003588 [0,1,0,0,0,1|0,0,1]=3 252 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,1,0,0,0,1|1,0,0]=3 253 B9R1.49 CC1CNC(=O)CCN1 CBR01349 [0,1,0,0,0,1|1,0,1]=4 254 B9R1.49 CN1CCNC(=O)CC1 T298867 [0,1,0,0,0,1|1,0,1]=4 255 B9R1.148 O=S1(=O)C=CCCC=C1 T176036 [0,1,0,0,0,1|1,0,1]=4 256 B9R1.1 COC1CC=C(CC1)C T196010 [0,2,0,0,0,0|1,0,1]=4 257 B9R1.1 N#CC1CCC(=O)CC1 CDS023626 [0,2,0,0,0,0|0,0,2]=4 258 B9R1.1 O=C1CCC(CC1)CO CDS017814 [0,2,0,0,0,0|0,0,2]=4 259 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,2,0,0,0,0|0,0,1]=3 260 B9R1.2 C=CC1CCCC(=O)O1 T220795 [0,2,0,0,0,0|1,0,1]=4 261 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,2,0,0,0,0|0,0,0]=2 262 B9R1.6 CC(N)C1=CCCCC1 CBR01205 [0,2,0,0,0,0|1,0,1]=4 263 B9R1.6 CC(O)C1=CCCCC1 PH015453 [0,2,0,0,0,0|0,0,2]=4 264 B9R1.6 CC(O)C1C=CCCC1 T181412 [0,2,0,0,0,0|0,0,2]=4 265 B9R1.6 O=C(O)C1=COCCC1 CDS022220 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.6 OB(O)C1=CCCCC1 CDS004318 [0,2,0,0,0,0|0,0,2]=4 268 B9R1.15 COC1CCCC=C1Br T261521 [0,2,0,0,0,0|0,0,2]=4 269 B9R1.15 N#CC1=C(CCCC1)Cl T300225 [0,2,0,0,0,0|1,0,1]=4 270 B9R1.15 N#CC1=CCCCC1O PH007699 [0,2,0,0,0,0|0,0,2]=4 271 B9R1.15 NCC1=C(CCCC1)Cl T162965 [0,2,0,0,0,0|1,0,1]=4 272 B9R1.10 O=C1C=CS(=O)(=O)CC1 PH007845 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.69 CC1CCC(=O)C(C1)C T295450 [0,2,0,0,0,0|0,0,2]=4 274 B9R1.69 CC1CNC(=O)NC1=O S412295 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.69 CN1CCC(=O)NC1=S S859176 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.69 C[C@H]1C[C@H](COC1=O)C T269239 [0,2,0,0,0,0|1,0,1]=4 277 B9R1.69 O=C1NCC(C(=O)N1)Br S776858 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,2,0,0,0,0|0,0,0]=2 280 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,2,0,0,0,0|0,0,0]=2 281 B9R1.3 CC1CCCC(=O)C1C CDS023514 [0,2,0,0,0,0|0,0,2]=4 282 B9R1.3 CN1C(=O)CNCC1=O CDS024599 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.3 O=C1CCCC(=O)C1Br PH009749 [0,2,0,0,0,0|0,0,1]=3 284 B9R1.3 O=C1CCCC(=O)N1Br S525502 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.34 CC1CC(=O)CC(C1)C S419052 [0,2,0,0,0,0|0,0,2]=4 286 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.40 CC1(CCC=CC1=O)C T203114 [0,2,0,0,0,0|0,0,0]=2 288 B7R1.15 CC1NC(=O)C1C T173835 [0,0,1,1,0,0|1,0,1]=4 289 B7R1.15 CC1NC(=O)C1C T173843 [0,0,1,1,0,0|1,0,1]=4 290 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,0,1,1,0,0|0,0,2]=4 291 B7R1.22 CNC(=O)C1CC1 S261831 [0,0,1,1,0,0|1,0,1]=4 292 B7R1.22 NNC(=O)C1CC1 PH010669 [0,0,1,1,0,0|2,0,0]=4 293 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,0,1,1,0,0|1,0,1]=4 294 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,1,1,0,0|1,0,1]=4 295 B7R1.17 CC1C=CS1(=O)=O T173029 [0,0,1,1,0,0|2,0,0]=4 296 B7R1.18 NC(=O)C1CCC1 S680745 [0,0,1,1,0,0|1,0,1]=4 297 B7R1.18 O=C(O)C1CCN1 CDS008419 [0,0,1,1,0,0|2,0,0]=4 298 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,1,1,0,0|0,0,2]=4 299 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,1,1,0,0|1,0,1]=4 300 B7R1.24 C1=CCCC=CC1 T178241 [0,0,1,1,0,0|1,0,1]=4 301 B9R2.7 [C@H]12CCC[C@H]1C(=O)N2 T191981 [0,0,0,1,0,1|0,0,2]=4 302 B9R2.20 O=C1C=CC2C1CC2 T178160 [0,0,0,1,0,1|0,0,0]=2 303 B9R2.20 [C@@H]1(C=CC2C1CC2)O T178195 [0,0,0,1,0,1|0,0,2]=4 304 B9R2.20 [C@@H]1(C=C[C@H]2[C@@H]1CC2)O T283223 [0,0,0,1,0,1|0,0,2]=4 305 B9R2.20 [C@H]12C=C[C@H]([C@H]1CC2)O T167185 [0,0,0,1,0,1|0,0,2]=4 306 B9R2.20 [C@H]12CCC(=O)[C@H]1CC2 T177652 [0,0,0,1,0,1|0,0,2]=4 307 B9R2.21 O[C@@H]1C=C[C@H]2C[C@H]2C1 T187186 [0,0,0,1,0,1|0,0,2]=4 308 B9R2.109 O=C1CCCC2C1C2 T179566 [0,0,0,1,0,1|0,0,2]=4 309 B9R2.19 O=C1CCC2CC1O2 T173428 [0,1,0,1,0,0|0,0,2]=4 310 B9R2.25 O=C1OC(=O)C2C1O2 S34747 [0,1,0,1,0,0|2,0,0]=4 311 B9R2.39 O=C1CC2C=CC1C2 T227005 [0,1,0,1,0,0|0,0,2]=4 312 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,0,1,0|1,0,0]=3 313 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,0,1,0|2,0,0]=4 314 B5R1.2 O=C1CSC1 SYX00053 [0,0,0,0,2,0|1,0,0]=3 315 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,0,0,0,2|0,0,2]=4 316 B9R1.50 O=C1C=CCCC=CC1 T182001 [0,0,0,0,0,2|0,0,0]=2 317 B9R1.50 O=C1C=CCCCC=C1 T168912 [0,0,0,0,0,2|0,0,0]=2 318 B9R1.50 O=C1CC=CCC=CC1 T179361 [0,0,0,0,0,2|0,0,1]=3 319 B9R1.50 O=C1CC=CCC=CC1 T181854 [0,0,0,0,0,2|0,0,1]=3 320 B9R1.50 O=C1CC=CCCOC1 T168858 [0,0,0,0,0,2|0,0,0]=2 321 B9R1.50 OC1CC=CCCOC1 T168807 [0,0,0,0,0,2|0,0,2]=4