0 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CN(C)C=N1 11615 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CC1=CN(C)N=N1 O10352 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=CN=C(N)O1 80158 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=CN=C(N)S1 C13827 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1=CNC(=O)N1 O11257 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CC1=CNC(=O)S1 C90545 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=COC(Br)=N1 S10976 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=COC(S)=N1 W16843 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CSC(C)=C1 O10605 [0,0,0,0,0,0|1,1,1]=3 13 B7R1.2 CC1=CSC(I)=N1 W17362 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 CC1=NC(=O)NN1 79696 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=NC(N)=NS1 AT11903 [0,0,0,0,0,0|3,1,0]=4 16 B7R1.2 CC1=NC=C(Br)S1 29668 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CC1=NC=C(N)S1 80222 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=NN=C(C)C1 N10051 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=NN=C(N)C1 D88133 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=NN=C(N)O1 71460 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=NN=C(S)O1 F19936 [0,0,0,0,0,0|3,1,0]=4 22 B7R1.2 CC1=NOC(N)=N1 AT13650 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=NOC(O)=N1 C90490 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CC1=NSC(Br)=N1 80337 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CN1C=C(N)N=N1 31768 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CN1C=C(N)N=N1 75215 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CN1C=C(O)C=N1 W16286 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.2 CN1C=CC(N)=C1 O10425 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.2 NC1=CC(=O)NO1 D73552 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.2 NC1=CC(N)=NN1 F12619 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.2 NC1=NC(=O)CO1 C73385 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.2 NC1=NNC(F)=C1 38194 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,0,0,0|2,0,2]=4 46 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,0,0,0|2,0,0]=2 49 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,0,0,0|1,0,1]=2 50 B7R1.2 O=C1CC(=O)NN1 A12550 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,0,0,0|2,0,2]=4 52 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,0,0,0|2,0,1]=3 53 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,0,0,0|1,0,3]=4 55 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,0,0,0,0,0|2,1,1]=4 56 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,0,0|2,0,1]=4 57 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,1]=3 59 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,0,0|3,0,0]=4 61 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|1,0,1]=3 63 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 IC1=COCC1 P19286 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|2,0,0]=3 69 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|2,0,1]=4 71 B6R1.2 NC1=CON=C1 F14139 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|1,1,1]=4 73 B6R1.2 NC1=NCCO1 53947 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 O=C1CNCN1 25530 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|1,0,1]=3 77 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|1,1,1]=4 78 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|0,2,1]=4 79 B8R1.1 BrCC1=NC(Br)=NO1 C77501 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CC1=CC(C#N)=NN1 25520 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,0,0,0|0,1,1]=3 82 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.1 CC1=NC(CBr)=NO1 F13555 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.1 CC1=NC(CCl)=NO1 C71636 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.1 CC1=NC(CN)=NO1 72162 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CC1=NOC(CN)=N1 S10792 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,0,0|1,1,1]=4 109 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 O=CC1=CC(Br)=NO1 69281 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [0,1,0,0,0,0|1,1,1]=4 123 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [0,1,0,0,0,0|1,1,1]=4 124 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,1,0,0,0,0|1,1,1]=4 129 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,1,0,0,0,0|1,1,1]=4 132 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,0,0,0|3,0,0]=4 134 B8R1.18 CN1NC(=O)C=C1N P19144 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,0,0,0|2,1,0]=4 137 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.18 O=C1NC(=O)[C@H](Br)S1 W10365 [0,1,0,0,0,0|2,1,0]=4 141 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.50 CC1=C(Br)C(Br)=NN1 AC6424 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.50 CC1=C(Cl)C(Br)=NN1 D80975 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.50 CC1=C(I)C(I)=NN1 C76114 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,1,0,0,0,0|1,1,1]=4 147 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.50 CC1=NNC(C)=C1N 51248 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.50 CC1=NNC(O)=C1C S10439 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.50 NN1C(=O)CCC1=O T70071 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 C=C=CC(=O)OC F20885 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|1,0,1]=3 160 B6R0.1 COC(=O)\C=C\I C10406 [0,0,1,0,0,0|2,0,0]=3 161 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,1,0,0,0|1,0,2]=4 162 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,1,0,0,0|0,0,1]=2 163 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,1,0,0,0|0,0,1]=2 164 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,1,0,0,0|0,0,1]=2 165 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,1,0,0,0|0,0,1]=2 166 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,1,0,0,0|1,0,2]=4 167 B6R0.2 NC(=O)CC(=O)O F20599 [0,0,1,0,0,0|2,0,1]=4 168 B6R0.4 C=C(C)CCCBr 71968 [0,0,1,0,0,0|2,0,1]=4 169 B6R0.4 C=CCCC(=O)Cl F16765 [0,0,1,0,0,0|2,0,1]=4 170 B6R0.4 CC(=O)CCC=O P17049 [0,0,1,0,0,0|2,0,0]=3 171 B6R0.4 CC(=O)OCCN W11955 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.4 CC(C)CCC=O 31143 [0,0,1,0,0,0|1,0,2]=4 173 B6R0.4 CCOCC(=O)O D73862 [0,0,1,0,0,0|1,0,1]=3 174 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,1,0,0|1,0,2]=4 175 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.4 CC1OCC1O P16543 [0,0,0,0,1,0|0,0,3]=4 177 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,0,1,0|0,0,1]=2 178 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,0,1,0|1,0,1]=3 179 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,0,1,0|2,0,1]=4 180 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,0,1,0|2,0,1]=4 181 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,0,1,0|0,0,2]=3 182 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,0,1,0|1,0,1]=3 183 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,0,1,0|0,0,2]=3 184 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,0,1,0|1,0,2]=4 185 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,0,0,0,0,1|2,0,1]=4 187 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,0,0,0,0,1|2,0,1]=4 189 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,0,0,0,0,1|2,0,1]=4 190 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,0,0,0,0,1|1,0,2]=4 192 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,0,0,0,0,1|2,0,1]=4 193 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,0,0,0,0,1|1,0,2]=4 195 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,0,0,1|1,0,1]=3 197 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,0,0,1|1,0,2]=4 198 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,0,0,1|1,0,2]=4 199 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,0,0,1|1,0,2]=4 200 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,0,0,1|1,0,2]=4 201 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,0,0,1|0,0,2]=3 202 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,0,0,0,0,1|1,0,1]=3 204 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,0,0,1|1,0,1]=3 205 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,0,0,1|2,0,1]=4 206 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,0,0,1|1,0,0]=2 207 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,0,0,1|1,1,1]=4 208 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,0,0,0,0,1|1,1,1]=4 209 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,0,0,1|2,0,1]=4 210 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,0,0,1|2,0,1]=4 211 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,0,0,1|1,0,2]=4 213 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,0,0,1|1,0,2]=4 214 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,0,0,1|1,0,2]=4 215 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,0,0,1|0,0,2]=3 216 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,0,0,1|1,0,2]=4 217 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,0,0,1|2,0,1]=4 219 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,0,0,1|2,0,1]=4 220 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,0,0,1|2,0,1]=4 221 B8R1.4 NC1=CC(=O)COC1 P18321 [0,0,0,0,0,1|1,0,0]=2 222 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.4 O=C1CNCC(=O)C1 91786 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,0,0,0,0,1|1,0,1]=3 226 B5R0.1 C=C(C)CON F31248 [1,0,1,0,0,0|2,0,0]=4 227 B5R0.1 CN(C)CC=O D88083 [1,0,1,0,0,0|1,0,1]=4 228 B5R0.1 CNCC(=O)[O-] F20742 [1,0,1,0,0,0|2,0,0]=4 229 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,1,0,0,0|1,0,0]=3 230 B5R0.1 O=C(O)\C=C\I W15430 [1,0,1,0,0,0|1,0,0]=3 231 B5R0.2 C=CCCNC W16107 [1,0,1,0,0,0|2,0,0]=4 232 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,1,0,0,0|1,0,1]=4 233 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,1,0,0,0|1,0,1]=4 234 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,1,0,0,0|1,0,1]=4 235 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,1,0,0,0|0,0,2]=4 236 B5R0.3 C=C[C@H](C)ON F31247 [1,0,1,0,0,0|1,0,1]=4 237 B5R0.3 CCC(=O)CN S11993 [1,0,1,0,0,0|1,0,1]=4 238 B5R1.1 C1=CCSC1 F20684 [2,0,0,0,0,0|0,1,1]=4 239 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|0,1,1]=4 240 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,1,0,0,0|0,0,0]=2 241 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,1,0,0,0|2,0,0]=4 243 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,1,0,0,0|1,0,1]=4 244 B7R0.7 COCC(=O)COC 36699 [0,1,1,0,0,0|1,0,1]=4 245 B7R0.10 C=CC(=O)N(C)OC AT20366 [0,1,1,0,0,0|2,0,0]=4 246 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,1,0,0,0|0,0,2]=4 247 B7R0.4 CCCOCC(=O)O AC1647 [0,1,1,0,0,0|1,0,1]=4 248 B7R0.4 O=C([O-])COCCO A11454 [0,1,1,0,0,0|1,0,1]=4 249 B7R0.6 CC(C)=CCC(=O)O 24307 [0,1,1,0,0,0|1,0,1]=4 250 B7R1.1 BrCC1=CC=NO1 33595 [1,1,0,0,0,0|1,0,0]=3 251 B7R1.1 BrCC1=CCCC1 37275 [1,1,0,0,0,0|1,0,1]=4 252 B7R1.1 BrCC1=CN=CO1 92893 [1,1,0,0,0,0|1,0,1]=4 253 B7R1.1 BrCC1=NC=CO1 92941 [1,1,0,0,0,0|1,0,1]=4 254 B7R1.1 BrCC1=NOC=C1 71749 [1,1,0,0,0,0|2,0,0]=4 255 B7R1.1 CNC1=NC=CO1 71780 [1,1,0,0,0,0|1,0,1]=4 256 B7R1.1 CNC1=NNC=C1 72540 [1,1,0,0,0,0|2,0,0]=4 257 B7R1.1 CNC1=NOC=C1 72015 [1,1,0,0,0,0|2,0,0]=4 258 B7R1.1 CNC1=NOC=C1 72539 [1,1,0,0,0,0|2,0,0]=4 259 B7R1.1 COC1=CCCC1 D93350 [1,1,0,0,0,0|1,0,1]=4 260 B7R1.1 COC1=NNC=C1 D79536 [1,1,0,0,0,0|2,0,0]=4 261 B7R1.1 CSC1=NC=CO1 O10533 [1,1,0,0,0,0|1,0,1]=4 262 B7R1.1 ClCC1=CC=CS1 79790 [1,1,0,0,0,0|0,1,1]=4 263 B7R1.1 ClCC1=CC=NO1 33348 [1,1,0,0,0,0|1,0,0]=3 264 B7R1.1 ClCC1=CN=CO1 RB3366 [1,1,0,0,0,0|1,0,1]=4 265 B7R1.1 ClCC1=NOC=C1 F13567 [1,1,0,0,0,0|2,0,0]=4 266 B7R1.1 N#CC1=CC=NO1 F30844 [1,1,0,0,0,0|1,0,1]=4 267 B7R1.1 NCC1=CC=CN1 25931 [1,1,0,0,0,0|1,0,1]=4 268 B7R1.1 NCC1=CC=NO1 33343 [1,1,0,0,0,0|1,0,0]=3 269 B7R1.1 NCC1=CC=NO1 33364 [1,1,0,0,0,0|1,0,0]=3 270 B7R1.1 NCC1=CNC=C1 F12967 [1,1,0,0,0,0|2,0,0]=4 271 B7R1.1 NCC1=NNC=C1 36190 [1,1,0,0,0,0|2,0,0]=4 272 B7R1.1 NCC1=NOC=C1 W10075 [1,1,0,0,0,0|2,0,0]=4 273 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,1,0,0,0,0|2,0,0]=4 274 B7R1.1 O=CC1=CC=NS1 62852 [1,1,0,0,0,0|2,0,0]=4 275 B7R1.1 O=CC1=CCC=C1 77835 [1,1,0,0,0,0|1,0,1]=4 276 B7R1.1 O=CC1=CCCC1 26227 [1,1,0,0,0,0|1,0,1]=4 277 B7R1.1 O=CC1=CCCO1 D79895 [1,1,0,0,0,0|0,0,2]=4 278 B7R1.1 O=CC1=CON=C1 95893 [1,1,0,0,0,0|1,0,1]=4 279 B7R1.1 O=CC1=NOC=C1 P10400 [1,1,0,0,0,0|1,0,0]=3 280 B7R1.1 OCC1=CC=NO1 33580 [1,1,0,0,0,0|1,0,0]=3 281 B7R1.1 OCC1=CC=NS1 53001 [1,1,0,0,0,0|1,1,0]=4 282 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,1,0,0,0,0|1,0,0]=3 283 B7R1.4 CC1=C(C)NC=C1 F20873 [1,1,0,0,0,0|1,0,1]=4 284 B7R1.4 CC1=C(N)C=NO1 D82481 [1,1,0,0,0,0|1,0,0]=3 285 B7R1.4 CC1=C(N)ON=C1 C74807 [1,1,0,0,0,0|2,0,0]=4 286 B7R1.4 CC1=CCOC1=O T72100 [1,1,0,0,0,0|1,0,0]=3 287 B7R1.4 CC1=CON=C1N 72247 [1,1,0,0,0,0|2,0,0]=4 288 B7R1.4 CC1=CSC=C1N P10841 [1,1,0,0,0,0|2,0,0]=4 289 B7R1.4 CC1=NOC=C1N O11036 [1,1,0,0,0,0|2,0,0]=4 290 B7R1.4 CC1=NSC=C1Br 20343 [1,1,0,0,0,0|2,0,0]=4 291 B7R1.4 CC1=NSC=C1N 75880 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,0,1,0|1,0,1]=4 293 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,0,1,0|1,0,1]=4 294 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,0,1,0|0,0,2]=4 295 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,0,1,0|0,0,2]=4 296 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,0,1,0|0,0,2]=4 297 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,0,1,0|1,0,1]=4 298 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,1,0,0,1,0|0,0,2]=4 299 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,1,0,0,1,0|1,0,1]=4 300 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,1,0,0,1,0|0,0,2]=4 301 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,1|1,0,1]=4 302 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,0,0,1|0,0,2]=4 304 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,0,0,1|0,0,2]=4 305 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,0,0,1|0,0,2]=4 306 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,0,0,1|0,0,2]=4 307 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.69 CC1=NNC(=O)C(Br)=C1 22926 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.69 CC1=NNC(=O)NC1=O T71473 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,0,0,1|2,0,0]=4 314 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,0,0,1|1,0,1]=4 315 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,1|1,0,1]=4 317 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,1|0,0,2]=4 319 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,1|1,0,1]=4 320 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,0,0,1|1,0,1]=4 322 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,0,0,1|1,0,1]=4 323 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,1|1,0,1]=4 324 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,1,0,0,0,1|1,0,1]=4 325 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,1,0,0,0,1|0,0,1]=3 327 B9R1.34 CC1=CC(Br)=CC(=O)O1 W11181 [0,1,0,0,0,1|1,0,1]=4 328 B9R1.34 CC1=CC(N)=CC(=O)O1 W11182 [0,1,0,0,0,1|1,0,1]=4 329 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,0,0,1|0,0,2]=4 330 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [0,1,0,0,0,1|1,0,1]=4 331 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.7 CCOC1=CC(N)=NO1 31468 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,2,0,0,0,0|2,0,0]=4 334 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,2,0,0,0,0|2,0,0]=4 339 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,2,0,0,0,0|0,1,1]=4 340 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,2,0,0,0,0|1,1,0]=4 341 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,2,0,0,0,0|1,0,1]=4 342 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.37 CC1=C(Br)C(=O)OC1=O D86617 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.37 O=C1O[C@H](O)C(Br)=C1Br 31315 [0,2,0,0,0,0|2,0,0]=4 349 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [0,2,0,0,0,0|1,0,1]=4 350 B7R1.3 O=C1C=CCCN1 88830 [0,0,1,1,0,0|2,0,0]=4 351 B7R1.3 O=C1C=CCOC1 O10790 [0,0,1,1,0,0|0,0,0]=2 352 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,1,1,0,0|0,0,2]=4 353 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,1,1,0,0|1,0,1]=4 354 B5R0.5 CC(=O)C(N)=S 93979 [0,0,1,0,1,0|1,1,0]=4 355 B5R0.5 CC(=O)[C@H](C)N D76571 [0,0,1,0,1,0|1,0,1]=4 356 B5R1.2 C=C1COC1 P17999 [1,0,0,0,1,0|1,0,1]=4