0 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=NN=C(O1)N PH010741 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1OC(=O)CS1 PH007278 [0,0,0,0,0,0|1,1,1]=3 16 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,0,0,0|1,0,3]=4 25 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|1,0,1]=3 26 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|2,0,0]=3 27 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,0]=3 28 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|1,0,1]=3 29 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|1,1,1]=4 30 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|1,1,1]=4 33 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|1,0,1]=3 34 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|1,1,1]=4 36 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,0,0|0,1,2]=4 37 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,0,0|1,0,2]=4 40 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 NCC1=NNC(=O)N1 CBR02276 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.1 O=C1CCC(O1)CCl PH010125 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,0,0|1,1,1]=4 53 B8R1.18 BrC1=CC(=C(O1)Br)Br PH002979 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,0,0|0,1,1]=3 56 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,0,0,0|0,0,0]=1 57 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.18 CC1=NC(OC1C)C CDS001470 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.18 CC1CC(C(=O)O1)C S327565 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,1,0,0,0,0|2,1,0]=4 63 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.50 CC1=C(C(=NN1)Br)Br S939463 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.51 CC1=CS(=O)(=O)CC1 S948608 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 C(=O)CC(C)OC T278319 [0,0,1,0,0,0|0,0,2]=3 75 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,0,1,0,0,0|2,0,1]=4 76 B6R0.1 C/C=C\C(C)CC R289485 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.1 CC/C=C(\C)/CC R289574 [0,0,1,0,0,0|2,0,1]=4 78 B6R0.1 CC/C=C(\C)/CC R289582 [0,0,1,0,0,0|2,0,1]=4 79 B6R0.1 CC/C=C(\C)/CO S888702 [0,0,1,0,0,0|1,0,1]=3 80 B6R0.1 CCC(=O)COC CDS024044 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.1 CCC(C)NC=O S620394 [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 CCSC(=O)CC CDS001498 [0,0,1,0,0,0|2,0,1]=4 85 B6R0.1 COC(=O)/C=C\I SYX00331 [0,0,1,0,0,0|2,0,0]=3 86 B6R0.2 CC(=CB(O)O)C CDS007838 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.2 CC(=CC(C)C)C R289302 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.2 CC(=CN(C)C)C S365297 [0,0,1,0,0,0|3,0,0]=4 89 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,1,0,0,0|1,0,1]=3 90 B6R0.2 CC(=O)NC(C)C S378992 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,1,0,0,0|1,0,1]=3 92 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,1,0,0,0|1,1,1]=4 93 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.4 C=CCNC(=O)C EME00415 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.4 C=CCOC(=S)N PH008714 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.4 C=COCC(=C)C T284386 [0,0,1,0,0,0|1,0,1]=3 98 B6R0.4 CC(=O)OCCS S363049 [0,0,1,0,0,0|1,1,1]=4 99 B6R0.4 CCNCC(=O)N S877379 [0,0,1,0,0,0|2,0,1]=4 100 B6R0.4 CCNCC(=O)N S986194 [0,0,1,0,0,0|2,0,1]=4 101 B6R0.4 CCSCC(=O)C S614262 [0,0,1,0,0,0|0,1,2]=4 102 B6R0.4 CNCCC(=O)O CDS013939 [0,0,1,0,0,0|3,0,0]=4 103 B6R0.4 CSCCC(=O)Cl CDS000414 [0,0,1,0,0,0|3,0,0]=4 104 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,0,1,0|1,0,1]=3 105 B6R1.4 O=C1CCC1=O S869309 [0,0,0,0,1,0|2,0,0]=3 106 B6R1.5 O=C1CC(C1)Br SYX00267 [0,0,0,0,1,0|1,0,2]=4 107 B8R1.3 CC1=CCC(CC1)Cl S109576 [0,0,0,0,0,1|2,0,1]=4 108 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,0,0,0,0,1|3,0,0]=4 109 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,0,0,0,0,1|2,0,1]=4 110 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,0,0,0,1|1,0,1]=3 111 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,0,0,0,0,1|2,0,1]=4 112 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,0,0,0,0,1|3,0,0]=4 113 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,0,0,1|2,0,0]=3 115 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,0,0,0,0,1|2,0,1]=4 116 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,0,0,0,0,1|2,0,1]=4 117 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,1|1,0,1]=3 118 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,1|2,0,1]=4 119 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,1|2,0,1]=4 120 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,1|1,0,2]=4 121 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,1|1,0,1]=3 122 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,0,0,0,0,1|1,1,1]=4 123 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,0,0,0,0,1|2,0,1]=4 125 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,0,0,0,0,1|2,1,0]=4 126 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,1|2,0,1]=4 127 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,0,0,0,0,1|3,0,0]=4 128 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,0,0,0,0,1|2,1,0]=4 131 B8R1.4 O=C1NCNC(=O)N1 S347531 [0,0,0,0,0,1|3,0,0]=4 132 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,1,0,0,0|0,0,2]=4 133 B5R0.1 C(=O)NC(C)C S378380 [1,0,1,0,0,0|1,0,1]=4 134 B5R0.1 C=C(C)CSC S866024 [1,0,1,0,0,0|1,1,0]=4 135 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|0,0,2]=4 136 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|1,0,0]=3 137 B5R0.1 CNCC(=O)C CBR02406 [1,0,1,0,0,0|1,0,1]=4 138 B5R0.1 COCC(=N)N CBR01671 [1,0,1,0,0,0|2,0,0]=4 139 B5R0.1 COCC(=O)N S371874 [1,0,1,0,0,0|1,0,0]=3 140 B5R0.1 CONC(=O)N S802999 [1,0,1,0,0,0|2,0,0]=4 141 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,1,0,0,0|1,0,0]=3 142 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,1,0,0,0|1,0,0]=3 143 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,1,0,0,0|1,0,1]=4 144 B5R0.2 C(=O)CCC=C CDS000721 [1,0,1,0,0,0|1,0,0]=3 145 B5R0.2 C=CCNCC PH014544 [1,0,1,0,0,0|1,0,1]=4 146 B5R0.2 C=CCSCC S620327 [1,0,1,0,0,0|0,1,1]=4 147 B5R0.2 OC/C=C/CO PH000110 [1,0,1,0,0,0|1,0,1]=4 148 B5R0.3 C/C(=C\Br)/CO S881295 [1,0,1,0,0,0|2,0,0]=4 149 B5R0.3 CCC(=O)CO R277614 [1,0,1,0,0,0|0,0,1]=3 150 B5R0.3 CNC(=O)CCl OTV000964 [1,0,1,0,0,0|2,0,0]=4 151 B5R1.1 C1=CCNC1 ANV00248 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,1,0,0,0|2,0,0]=4 153 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,1,0,0,0|1,0,1]=4 154 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,1,0,0,0|1,0,1]=4 155 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,1,0,0,0|2,0,0]=4 156 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,1,1,0,0,0|2,0,0]=4 157 B7R0.9 C/C(=C\S(=O)(=O)C)/I S779059 [0,1,1,0,0,0|2,0,0]=4 158 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,1,0,0,0|1,0,1]=4 159 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,1,0,0,0|1,0,1]=4 160 B7R0.4 C=CCCOC(=O)C S510343 [0,1,1,0,0,0|2,0,0]=4 161 B7R0.4 C=CCOCC(=O)O CDS023318 [0,1,1,0,0,0|1,0,1]=4 162 B7R0.4 CCOCCC(=O)O S448745 [0,1,1,0,0,0|1,0,1]=4 163 B7R0.4 NC(=O)COCCO S449792 [0,1,1,0,0,0|1,0,1]=4 164 B7R0.4 NCCOCC(=O)O T160229 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.6 C=C(C)COC(=O)N S352055 [0,1,1,0,0,0|2,0,0]=4 166 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,1,1,0,0,0|1,1,0]=4 167 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.1 CCC1C=CCC1 S416223 [1,1,0,0,0,0|1,0,1]=4 169 B7R1.1 COC1C=CCC1 S702501 [1,1,0,0,0,0|1,0,1]=4 170 B7R1.1 CSC1=CC=CS1 R436550 [1,1,0,0,0,0|0,1,1]=4 171 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,1,0,0,0,0|1,0,1]=4 172 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [1,1,0,0,0,0|1,0,1]=4 173 B7R1.1 NCC1=COC=C1 CDS008929 [1,1,0,0,0,0|1,0,1]=4 174 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,1,0,0,0,0|2,0,0]=4 175 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,1,0,0,0,0|2,0,0]=4 176 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,1,0,0,0,0|1,0,0]=3 177 B7R1.1 OCC1=CC=CN1 CDS009556 [1,1,0,0,0,0|1,0,1]=4 178 B7R1.1 OCC1=NOC=C1 PHB00207 [1,1,0,0,0,0|1,0,1]=4 179 B7R1.1 SCC1=CC=CS1 CDS000069 [1,1,0,0,0,0|0,1,1]=4 180 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,1,0,0,0,0|2,0,0]=4 181 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,1,0,0,0,0|1,0,0]=3 182 B7R1.4 CC1=C(CCC1)Br T256854 [1,1,0,0,0,0|1,0,1]=4 183 B7R1.4 CC1=CCCC1O T295310 [1,1,0,0,0,0|1,0,1]=4 184 B7R1.4 CC1=NNC=C1I BML00217 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [1,1,0,0,0,0|2,0,0]=4 186 B7R1.17 CC1=CCS1(=O)=O T169978 [0,1,0,0,1,0|2,0,0]=4 187 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,1|1,0,1]=4 188 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.69 CN1CCC(=O)NC1=S S859176 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 C(=O)C1=CC(CCC1)C S895652 [0,1,0,0,0,1|1,0,1]=4 191 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,1|1,0,1]=4 192 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,1|1,0,1]=4 193 B9R1.2 CCC1COCC(=O)N1 CBR01631 [0,1,0,0,0,1|1,0,1]=4 194 B9R1.2 COC1=CC(=O)CCC1 T288349 [0,1,0,0,0,1|1,0,0]=3 195 B9R1.3 CC1=C(CCCC1=O)Cl S884774 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.3 CC1=C(CCCC1=O)O PH001252 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,1|1,0,1]=4 198 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,1|0,1,1]=4 199 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.7 CNCC1=NOC(=C1)C CDS006620 [0,2,0,0,0,0|2,0,0]=4 201 B9R1.7 OCCC1=CC(=NO1)Br SYX00381 [0,2,0,0,0,0|2,0,0]=4 202 B9R1.21 CCC1=NOC(=C1)CO CBR01658 [0,2,0,0,0,0|2,0,0]=4 203 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,2,0,0,0,0|1,0,1]=4 204 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,2,0,0,0,0|1,0,1]=4 205 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,2,0,0,0,0|2,0,0]=4 206 B9R1.23 C(=O)C1=NN(C(=C1)C)C CDS014622 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,2,0,0,0,0|0,1,1]=4 208 B9R1.35 CC1=NC(=NO1)C(=O)O CDS019560 [0,2,0,0,0,0|2,0,0]=4 209 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,2,0,0,0,0|2,0,0]=4 210 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.37 CC1C(=O)CC(=O)C1=O PH004761 [0,2,0,0,0,0|1,0,1]=4 212 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl L161292 [0,2,0,0,0,0|2,0,0]=4 213 B9R1.38 CC1(OC(=S)NC1=O)C S630373 [0,2,0,0,0,0|2,0,0]=4 214 B9R1.27 CC1=NOC(=C1C=O)C CDS013605 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.27 CC1=NOC(=C1CBr)C CDS019604 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.27 CC1=NOC(=C1CN)C CBR01039 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.27 CC1=NOC(=C1CN)C CDS016657 [0,2,0,0,0,0|2,0,0]=4 218 B7R1.3 O=C1COCCN1 T160245 [0,0,1,1,0,0|1,0,1]=4 219 B7R1.3 O=C1COCCO1 PH009771 [0,0,1,1,0,0|1,0,1]=4 220 B7R1.6 COC=C1COC1 SYX00441 [0,0,1,1,0,0|2,0,0]=4 221 B9R2.19 O=C1CCC2CC1O2 T173428 [0,0,0,1,0,1|0,0,2]=4 222 B9R2.25 O=C1OC(=O)C2C1O2 S34747 [0,0,0,1,0,1|2,0,0]=4 223 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,1,0,1,0|1,0,0]=3 224 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,1,0,1,0|2,0,0]=4 225 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,1,0,1,0|2,0,0]=4 226 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,1,0,1,0|2,0,0]=4 227 B5R0.5 C=C(C)C(C)O T277479 [0,0,1,0,1,0|1,0,1]=4 228 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,1,0,1,0|1,0,1]=4 229 B5R0.5 CC(O)C(=O)[O-] S933260 [0,0,1,0,1,0|1,0,1]=4 230 B5R0.5 O=C(O)C(=O)O S647829 [0,0,1,0,1,0|2,0,0]=4 231 B5R1.2 O=C1CSC1 SYX00053 [1,0,0,0,1,0|0,1,1]=4 232 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,2|2,0,0]=4