0 B5R0.1 C=C(C)CON P51484 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CCC[C@H](C)N I-9318 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CNCC(C)O P40721 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 CNC[C@@H](C)O P41738 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 CNC[C@H](C)O P36531 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.1 COCC(=N)N O34478 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 COCC(C)Br O32164 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C\C=C\B(O)O M24053 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 O=C(O)CCF A-698 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C#CC(C)=O P41295 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 C#CC(N)=O O30795 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 C=C(C)CN P39039 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=O)CN P45193 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CCC(=O)CC#N P38761 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.1 CCNC(=O)CN P39222 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 CCNC(=O)CO O31312 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.1 CCNC(=O)NC M15284 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.1 CCOC(=N)CCl P38507 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.1 CNCC(=O)NC P37691 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 CNCC(=O)NC P38046 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.2 CC(=O)NC(C)C P50955 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.2 CC(O)CC(=O)O P38963 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.2 CN(C)CC(N)=O P36935 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CCC(N)C(N)=O P35312 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.3 CNC(=O)C(C)N P38407 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CNC(C)C(N)=O P41317 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.3 C\C=C(\C)B(O)O O32816 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 C#CCNC(C)=O P36776 [0,1,0,0,0,0|0,0,3]=4 46 B6R0.4 CCNCC(=O)O P37534 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.4 CCNCC(N)=O P36580 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.4 CNCCC(=O)O P36779 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 CNCCC(=O)O P39205 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.4 CNCCC(N)=O P37896 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.4 O=C(O)\C=C\CBr P41388 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.4 O=CNCC(=O)O P39379 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.5 C\C=C\[B-](F)(F)F P50964 [0,1,0,0,0,0|3,0,0]=4 54 B6R1.2 BrC1=CC=CO1 P37236 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.2 BrC1=CC=NN1 G-7014 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 BrC1=NSC=C1 O31504 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.2 CC1=CNC=C1 L13609 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 CC1=CNN=C1 M22981 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 CC1=COC=C1 10706 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 CC1=COC=N1 M15472 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 CN1C=CC=N1 G-7493 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 CN1C=CN=N1 O30707 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 ClC1=CC=NN1 I-9279 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 ClC1=NSC=C1 K10869 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.2 FC1=CC=NN1 L13110 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.2 FC1=CCNC1 Q63558 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 IC1=COCC1 Q53484 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.2 IC1=NNC=C1 H-8099 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 NC1=CC=NN1 A-809 [0,0,0,1,0,0|3,0,0]=4 70 B6R1.2 NC1=NOC=C1 C-3347 [0,0,0,1,0,0|3,0,0]=4 71 B6R1.2 O=C1C=CSN1 K10928 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|1,0,1]=3 73 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|1,0,1]=3 74 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|1,0,1]=3 75 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|1,0,1]=3 76 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|0,0,2]=3 77 B6R1.2 SC1=CSC=C1 O29467 [0,0,0,1,0,0|1,1,1]=4 78 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,1,0,0|0,0,2]=3 79 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,1,0,0|1,0,1]=3 80 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,1,0,0|1,0,1]=3 81 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,1,0,0|1,0,2]=4 82 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,1,0,0|1,0,2]=4 83 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,1,0,0|1,0,2]=4 86 B3R0.2 CC(=O)[O-] P38729 [2,0,0,0,0,0|1,0,0]=3 87 B3R0.2 CC(=O)[O-] P40879 [2,0,0,0,0,0|1,0,0]=3 88 B3R0.2 C[PH](C)=O O30537 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.3 C#CC(=O)NC L19171 [1,1,0,0,0,0|0,0,2]=4 90 B5R0.3 C=CC(C)ON P51545 [1,1,0,0,0,0|0,0,2]=4 91 B5R0.3 CNC(=O)CBr P38653 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.3 CNC(=O)CN P37877 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.3 CNC(=O)CO P37539 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.3 COC(=N)CCl P36514 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.5 C=C(F)C(=O)O P51526 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.5 CC(N)C(N)=O P37963 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.5 CC(O)C(N)=O P39940 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.2 CC(C)NC(=O)CBr P36229 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.2 CC(C)NC(=O)CN P36647 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.2 CC(C)NC(=O)CN P37073 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.2 CCC(=O)CC(=O)O P43007 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.2 CCC(=O)CC(C)=O O31794 [0,2,0,0,0,0|0,0,1]=3 104 B7R0.2 CNC(=O)CC(=O)O P38150 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.2 COC(=O)CC(C)N P41489 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.2 COC(=O)CN(C)C P36457 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,2,0,0,0,0|0,0,2]=4 108 B7R0.3 CCCNC(=O)CN P36648 [0,2,0,0,0,0|0,0,2]=4 109 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,2,0,0,0,0|0,0,0]=2 110 B7R0.3 CNC(=O)CCCN P40550 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.3 CNCCC(=O)NC P37767 [0,2,0,0,0,0|0,0,2]=4 112 B7R0.3 CNCCC(=O)OC P36826 [0,2,0,0,0,0|0,0,2]=4 113 B7R0.3 O=C(CCl)\N=C\NO L19373 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.5 CC(=O)N(C)CCN P35211 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.5 CCOC(=O)C(=O)O P37044 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.5 CNCC(=O)N(C)C P40286 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.7 CCNC(=O)CC#N P41076 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.7 CCNC(=O)CCN P36830 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.7 CCNC(=O)CNC P35209 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.7 CCNC(=O)CNC P39556 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.7 CCOC(=O)CCI P36879 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.7 CCOC(=O)NCO Q69358 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.10 CCC(=O)N(C)OC P42839 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.10 CCN(C)C(=O)CN P36486 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,2,0,0,0,0|1,0,1]=4 127 B7R0.15 C\C=C(/C#N)C(=O)O F-4312 [0,2,0,0,0,0|1,0,0]=3 128 B7R0.4 CC(=O)NCCCN P38199 [0,2,0,0,0,0|0,0,2]=4 129 B7R0.4 CNCCNC(C)=O P41559 [0,2,0,0,0,0|0,0,2]=4 130 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|0,0,2]=4 131 B7R0.6 CC(C)=CCC(=O)O P43260 [0,2,0,0,0,0|1,0,0]=3 132 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|1,0,1]=4 133 B5R1.2 O=C1CCN1 P35040 [1,0,0,1,0,0|1,0,0]=3 134 B5R1.2 O=C1CNC1 C-2452 [1,0,0,1,0,0|1,0,1]=4 135 B5R1.2 O=C1COC1 A-880 [1,0,0,1,0,0|1,0,1]=4 136 B5R1.2 O=C1CSC1 A-895 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.1 BrCC1=COC=C1 O29970 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 BrCC1=CSC=C1 Q68601 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.1 COC1=NNC=C1 Q61554 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 CSC1=CC=CS1 Q67758 [0,1,0,1,0,0|0,1,1]=4 142 B7R1.1 ClCC1=CC=CS1 G-5616 [0,1,0,1,0,0|0,1,1]=4 143 B7R1.1 NCC1=CC=NN1 O30495 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.1 NCC1=COC=C1 O34052 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.1 NCC1=NOC=C1 G-6132 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.1 NCC1=NOC=C1 L14199 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.1 O=CC1=CCCC1 O33977 [0,1,0,1,0,0|0,0,1]=3 148 B7R1.1 O=CC1=CCCO1 O29864 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 O=CC1=NNC=C1 O31194 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.1 OCC1=NNC=C1 G-5586 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.1 OCC1=NOC=C1 G-7175 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 CC1=CC(N)=NN1 G-7311 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.2 CC1=CN(C)N=N1 Q53687 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 CC1=CSC(Cl)=N1 O30642 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.2 CC1=CSC(N)=C1 G-5634 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.2 CC1=NC(=O)NN1 O30153 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.2 CC1=NC(Br)=CS1 L22293 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.2 CC1=NN(C)C=C1 A-857 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.2 CC1=NN=C(C)N1 C-2341 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.2 CC1=NNC(Br)=C1 O34436 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.2 CC1=NNC(O)=C1 I-9200 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,1,0,0|0,0,2]=4 164 B7R1.2 CC1CNC(=O)O1 P51279 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.2 CN1C=CC(=O)N1 Q61559 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.2 CN1C=CC(Br)=C1 F-4804 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.2 CN1C=CC(Br)=N1 G-5994 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.2 CN1C=CC(Cl)=N1 Q69919 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.2 CN1C=CC(I)=N1 F-4236 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.2 CN1C=CC(N)=N1 I-9167 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.2 CN1C=C[N+](C)=C1 I-9087 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,1,0,0|0,0,2]=4 173 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.2 N=C1CSC(=O)N1 L20743 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.2 NC1=CC(=O)CC1 O29931 [0,1,0,1,0,0|0,0,0]=2 177 B7R1.2 NC1C=CC(F)C1 Q54397 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.2 NC1CNC(=O)C1 G-6478 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.2 NC1CNC(=O)C1 L13560 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.2 O=C1C=CC(O)C1 O30118 [0,1,0,1,0,0|0,0,0]=2 185 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,1,0,1,0,0|0,0,0]=2 186 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|1,0,1]=4 187 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,1,0,1,0,0|0,0,1]=3 188 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|0,0,2]=4 189 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|0,0,2]=4 190 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|0,0,2]=4 191 B7R1.2 O=C1CNC(=O)C1 L18257 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,1,0,1,0,0|0,0,2]=4 195 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,1,0,1,0,0|0,0,2]=4 196 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,1,0,1,0,0|0,0,2]=4 198 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,1,0,1,0,0|0,0,2]=4 199 B7R1.2 S=C1CCC(=S)N1 M15166 [0,1,0,1,0,0|1,1,0]=4 200 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.3 BrC1=CCCNC1 Q65300 [0,1,0,1,0,0|1,0,1]=4 202 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,1,0,0|1,0,1]=4 203 B7R1.3 CC1=CC=CN=N1 G-5190 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|1,0,1]=4 205 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,1,0,0|1,0,1]=4 206 B7R1.3 CC1=CN=CN=C1 O30773 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.3 CC1=CN=NC=C1 G-5111 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.3 CC1=NC=CC=N1 Q60049 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.3 CC1=NC=NC=C1 G-5230 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.3 O=C1C=CC=NN1 C-2425 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.3 O=C1C=CCCN1 O34600 [0,1,0,1,0,0|0,0,0]=2 212 B7R1.3 O=C1C=CCOC1 L22520 [0,1,0,1,0,0|0,0,0]=2 213 B7R1.3 O=C1C=CN=CN1 C-2283 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.3 O=C1C=COCC1 Q54629 [0,1,0,1,0,0|0,0,0]=2 215 B7R1.3 O=C1CC=CCC1 Q53604 [0,1,0,1,0,0|0,0,0]=2 216 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,1,0,0|0,0,2]=4 217 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|0,0,2]=4 218 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|0,0,2]=4 219 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|0,0,2]=4 220 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|0,0,2]=4 221 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.3 O=C1OCCCO1 P43743 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,1,0,0|0,0,2]=4 226 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,1,0,0|0,0,2]=4 227 B7R1.4 CC1=C(Br)C=CS1 Q67355 [0,1,0,1,0,0|0,1,1]=4 228 B7R1.4 CC1=C(C)NN=C1 Q55565 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.4 CC1=CNC=C1C C-3629 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.4 CC1=CSC=C1Br Q66876 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 CC1=CSC=C1C Q70046 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 CC1=CSC=C1N L14926 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.4 CC1=NNC=C1Br I-9173 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 CC1CCNC1=O O30375 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.4 CN1N=CC=C1Cl Q61745 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.4 NC1CCNC1=O F-4440 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.4 NN1CCCC1=O P51102 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.4 N[C@H]1CCNC1=O L14236 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.4 O=C1CCC=C1O A-670 [0,1,0,1,0,0|0,0,0]=2 244 B7R1.4 O=C1CCCC1=O L19145 [0,1,0,1,0,0|0,0,1]=3 245 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,1,0,0|0,0,2]=4 246 B7R1.4 O=C1CCNC1=O Q62042 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.4 O=C1NCCC1Br O31241 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.4 O=C1NCCC1F Q62170 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.4 O=C1NCCC1O D-2532 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.4 O=C1NCC[C@H]1O O30124 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.4 OC1CCC=C1Br O29401 [0,1,0,1,0,0|0,0,2]=4 255 B7R1.8 COC1CCC1=O P45632 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.10 C=CC1CC(=O)C1 P45344 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|0,0,2]=4 258 B7R1.10 COC1CC(=O)C1 F-4668 [0,1,0,1,0,0|0,0,2]=4 259 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,1,0,0|0,0,2]=4 261 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,1,0,0|0,0,2]=4 263 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,1,0,0|0,0,2]=4 264 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,1,0,1,0,0|0,0,2]=4 271 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,1,0,1,0,0|0,0,2]=4 273 B7R1.18 CC(=O)C1CCC1 Q54751 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.18 CC(=O)C1CNC1 P44065 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.18 CC(=O)C1CNC1 P48871 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.18 CC(=O)C1CNC1 P48872 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.18 CC(=O)C1COC1 Q56096 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.18 CC(=O)N1CCC1 P45596 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.14 O=P1(Cl)CC=CC1 L21005 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.14 O=S1(=O)CCC=N1 G-7785 [0,1,0,1,0,0|2,0,0]=4 282 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,2,0,0|0,0,2]=4