0 B5R0.1 CN(CCBr)C AK-35597 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 NOCC(C)=C AK550273 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 NOCC(C)C AK-83418 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 O=CCN(C)C AK136086 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 O=CCN(C)C AK172998 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 C(N)C(=O)C AK-42698 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 C=CC([O-])=O AK160082 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(C)ON AK-81639 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(NN)=N AK114707 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CC(NN)C AK-46728 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C\C(N)=N\O AK-91616 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 ONC(C)C AK117015 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 C#C\C(C)=C/CO AK116959 [0,1,0,0,0,0|0,0,3]=4 13 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.2 CC(NC(C)C)=O AK-86542 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,1,0,0,0,0|0,0,0]=1 25 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.2 S=C(N)CN(C)C AK-74196 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.3 CC(C)\C(N)=N\O AK117017 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.3 CCC(N(C)C)=O AK105976 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 O=C(N(C)C)CN AK-33842 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 O=C(N(C)C)CN AK-39204 [0,1,0,0,0,0|2,0,1]=4 33 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 C1=C(N=CS1)C AK-27071 [0,0,0,1,0,0|1,1,1]=4 36 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 C1=CSC(=N1)C AK-25844 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,1,0,0|1,1,1]=4 39 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 CC1=CN=CS1 AK-40769 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.2 CC1=CNN=N1 AK-38543 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 CC1=NC=CN1 AK-76902 [0,0,0,1,0,0|3,0,0]=4 45 B6R1.2 CC1=NN=CO1 AK-50870 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.2 CC1=NNC=N1 AK-46139 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 CN1C=CN=N1 AK-60587 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,1,0,0|2,1,0]=4 58 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,1,0,0|1,0,2]=4 61 B3R0.2 CC(N)=O AK-97258 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 CC(O)=O AK-76644 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.2 CC(O)=O AK111414 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.2 CC([O-])=O AK-98692 [2,0,0,0,0,0|1,0,0]=3 65 B3R0.2 [O-]C([O-])=O AK106969 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 C=CC(NC)=O AK115593 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.3 C=C[C@H](N)CO AK-78923 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 NOC(C=C)C AK550274 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.3 O=C[C@H](O)CO AK122382 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.5 C(C(=O)O)(=O)O AK-40231 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.5 C=C(F)C(O)=O AK107642 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.5 CC(C)C(N)=O AK-80490 [1,1,0,0,0,0|0,0,1]=3 73 B5R0.5 CC(O)C([O-])=O AK114515 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.5 C[C@H](N)C(N)=O AK-46287 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.5 C[C@H](O)C([O-])=O AK121770 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.5 N[C@@H](C)C(O)=O AK650445 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.5 O=C(O)C(O)=O AK116416 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.5 O=C([O-])C([O-])=O AK112218 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.3 COC(=O)CNC=O AK111067 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,2,0,0,0,0|0,0,2]=4 91 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,2,0,0,0,0|0,0,1]=3 95 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,2,0,0,0,0|0,0,1]=3 96 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,2,0,0,0,0|0,0,2]=4 97 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,2,0,0,0,0|0,0,2]=4 98 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,2,0,0,0,0|0,0,2]=4 99 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,2,0,0,0,0|0,0,2]=4 100 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,2,0,0,0,0|0,0,2]=4 103 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,2,0,0,0,0|0,0,2]=4 104 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.6 CC(NNC(C)C)=O AK118752 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.8 OC\C=C\[Si](C)(C)C AK307454 [0,2,0,0,0,0|0,1,1]=4 112 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,1,0,0|1,0,1]=4 113 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.1 COC1=CC=CS1 AK-60885 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,1,0,0|0,1,1]=4 117 B7R1.1 NCC1=CC=CN1 AK-39872 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.1 NCC1=CC=CS1 AK-46394 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 NCC1=CNC=C1 AK-67638 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.1 NCC1=CSC=C1 AK-28306 [0,1,0,1,0,0|0,1,1]=4 121 B7R1.1 NCC1=CSC=C1 AK-48092 [0,1,0,1,0,0|0,1,1]=4 122 B7R1.1 NCC1=NNC=C1 AK-25875 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 OCC1=CC=CS1 AK-93468 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.1 OCC1=CSC=C1 AK-36199 [0,1,0,1,0,0|0,1,1]=4 127 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.2 NC1=CSC(C)=N1 AK165023 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,1,0,0|0,0,0]=2 159 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,1,0,0|1,0,1]=4 171 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.3 CC1=CN=CC=N1 AK-88672 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.3 O=C1COCC=C1 AK120133 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.3 O=C1NCCC=C1 AK110027 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,1,0,0|0,1,1]=4 182 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.4 CC1=C(C)N=CN1 AK157739 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,1,0,1,0,0|1,1,0]=4 185 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,1,0,0|0,1,1]=4 189 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,1,0,0|0,1,1]=4 190 B7R1.4 CC1=NNC=C1Br AK-24746 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.4 CC1=NNC=C1I AK-73045 [0,1,0,1,0,0|2,0,0]=4 192 B7R1.4 CN1C=CN=C1C AK-60401 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,1,0,0|1,1,0]=4 197 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.6 N#CC=C1CNC1 AK682491 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.6 N#CC=C1COC1 AK-96392 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,1,0,1,0,0|0,0,2]=4