0 B8R1.50 CC1=C(Br)C(=O)NN1 4H48-9-86 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.50 CC1=C(Br)C(N)=NO1 4H30-9-05 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.50 CC1=C(C)C(=O)NC1 4H48-1-Q8 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.50 CC1=C(C)C(Br)=NO1 4H56-9-6E [0,0,0,0,0,0|3,0,0]=3 4 B8R1.50 CC1=C(Cl)C(N)=NN1 3H33-5-2J [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 CC1=C(Cl)C(N)=NO1 4H30-5-61 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.50 CC1=C(O)C(=O)OC1 2H25-1-56 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.50 CC1=NNC(=O)C1C 4H17-1-1C [0,0,0,0,0,0|3,0,1]=4 8 B8R1.50 CC1=NNC(C)=C1Cl 3H32-5-KC [0,0,0,0,0,0|4,0,0]=4 9 B8R1.50 CC1=NNC(C)=C1I 3H32-H-50 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.50 CC1=NNC(C)=C1N 3H30-1-5S [0,0,0,0,0,0|4,0,0]=4 11 B8R1.50 CC1=NNC(C)=C1O 4H01-1-D5 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.50 CC1=NOC(C)=C1I 4H56-H-07 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.50 CC1=NOC(N)=C1C 4H30-1-4T [0,0,0,0,0,0|4,0,0]=4 14 B8R1.50 CC1=NSC(N)=C1Br 7H30-9-01 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.50 CC1C(=O)COC1=O 2225-1-00 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.50 CC1CCC(=O)C1=O 2218-1-00 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.50 CN1C(=O)CNC1=S 8H67-1-1H [0,0,0,0,0,0|4,0,0]=4 18 B8R1.50 CN1C(=O)CSC1=O 8H48-1-0N [0,0,0,0,0,0|3,1,0]=4 19 B8R1.50 CN1C(=O)CSC1=S 8H67-1-79 [0,0,0,0,0,0|3,1,0]=4 20 B8R1.50 O=C1C=CC(=O)N1O 4H47-1-05 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 2H29-1-65 [0,0,0,0,0,0|1,0,3]=4 22 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [1,0,0,0,0,0|0,0,0]=1 23 B7R1.2 CC1=CC(N)=CS1 7H33-5-06 [1,0,0,0,0,0|1,1,1]=4 24 B7R1.2 CC1=CNC(C)=C1 3H31-1-38 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 CC1=CSC(N)=C1 7H33-5-07 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CC1=CSC(O)=C1 6H61-1-04 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.2 CC1=NNC(Br)=C1 3H32-9-CU [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=NSC(Br)=C1 7H70-9-45 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=NSC(N)=C1 7H70-1-1K [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CC1=NSC(N)=C1 7H70-5-0A [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1CC(=O)CN1 4H17-5-3T [1,0,0,0,0,0|1,0,2]=4 32 B7R1.2 NC1=NCC(=O)N1 4H30-5-56 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 NC1=NCC(=O)N1 4H48-1-0AG [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 O=C1C=C(Br)CO1 2425-9-00 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 O=C1C=C(O)CO1 2H20-1-33 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.2 O=C1CNC(=O)S1 8H70-1-22 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 O=C1CNC(=S)N1 8H67-1-1D [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 O=C1CSC(=O)N1 8H18-1-X1 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.2 O=C1CSC(=S)N1 8H67-1-58 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.4 C=C1CCOC1=O 2H25-1-2M [1,0,0,0,0,0|2,0,1]=4 41 B7R1.4 CC1=C(Br)C=CO1 2H10-9-13 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.4 CC1=C(C)SC=C1 5H66-1-X6 [1,0,0,0,0,0|1,1,1]=4 43 B7R1.4 CC1=COC=C1Br 2H10-9-33 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.4 CC1=CSC=C1C 5H66-1-30 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.4 CC1=CSC=C1N 7H30-1-0F [1,0,0,0,0,0|3,0,0]=4 46 B7R1.4 CC1=NNC=C1I 3H32-H-42 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.4 CC1=NNC=C1N 3H33-5-2G [1,0,0,0,0,0|3,0,0]=4 48 B7R1.4 CC1=NON=C1O 4H01-1-2P [1,0,0,0,0,0|3,0,0]=4 49 B7R1.4 CC1=NSC=C1Br 7H70-9-04 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.4 CC1=NSC=C1N 7H70-1-54 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.4 CC1OCCC1=O 2H17-1-Y3 [1,0,0,0,0,0|0,0,3]=4 52 B7R1.4 NC1=CCOC1=O 4H56-1-HN [1,0,0,0,0,0|2,0,0]=3 53 B7R1.4 O=C1CCC=C1Br 2417-9-01 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.4 O=C1OCC[C@H]1O 2H29-1-R0 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.27 CC1=NOC(C)=C1CO 4H01-1-V3 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.37 CC1=NN(C)C(C)=C1O 4H01-1-DU [0,1,0,0,0,0|3,0,0]=4 57 B9R1.37 CC1C(=O)CC(=O)C1=O 2218-1-X0 [0,1,0,0,0,0|1,0,2]=4 58 B9R1.37 CC1CC(=O)C(=O)C1C 2218-1-16 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.37 CC1OC(C)C(=O)C1=O 2H18-1-0D [0,1,0,0,0,0|0,0,2]=3 60 B9R1.37 O=C1OC(O)C(Cl)=C1Cl 2H25-5-0S [0,1,0,0,0,0|3,0,0]=4 61 B9R1.132 CC1=NNC(C=O)=C1Cl 4H15-5-1P [0,1,0,0,0,0|3,0,0]=4 62 B9R1.132 CC1=NSC(C=O)=C1Br 8H15-9-00 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.132 COC1=C(Br)C(=O)CC1 2417-9-00 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.10 CCC(=O)C(=O)OC 2129-1-61 [0,0,1,0,0,0|2,0,1]=4 65 B7R0.10 COC(=O)\C(C)=C\Br 2323-9-04 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.10 C\C=C(\C)C(=O)OC 2323-1-1B [0,0,1,0,0,0|3,0,0]=4 67 B9R1.3 CC1=C(C)C(=O)NC=N1 4H48-1-UP [0,0,0,0,0,1|2,0,1]=4 68 B9R1.3 CC1=C(O)C(Br)=NC=C1 4H01-9-07 [0,0,0,0,0,1|2,0,1]=4 69 B9R1.3 CC1=C(O)C(O)=CC=N1 4H01-1-7Y [0,0,0,0,0,1|1,0,2]=4 70 B9R1.3 CC1=CC=CC(Cl)=C1O 2701-5-02 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.3 CC1=CC=CC(N)=C1O 4756-5-57 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.3 CC1=CC=NC(Cl)=C1O 4H01-5-2P [0,0,0,0,0,1|2,0,1]=4 73 B9R1.3 O=C1CCCC(O)=C1Cl 2420-5-01 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.69 CC1=CC(C)=NNC1=O 4H48-1-010 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.69 CC1=CC=C(Br)C(O)=C1 2701-9-0J [0,0,0,0,0,1|2,0,1]=4 76 B9R1.69 CC1=CC=C(Br)C(O)=N1 4H56-9-1T [0,0,0,0,0,1|2,0,1]=4 77 B9R1.69 CC1=CC=C(Cl)C(O)=C1 2701-5-0M [0,0,0,0,0,1|2,0,1]=4 78 B9R1.69 CC1=CC=C(O)C(O)=C1 2704-1-0C [0,0,0,0,0,1|1,0,2]=4 79 B9R1.69 CC1=CC=C(O)C=C1O 2704-1-0F [0,0,0,0,0,1|1,0,2]=4 80 B9R1.69 CC1=CN=C(Cl)C=C1O 4H01-5-3F [0,0,0,0,0,1|3,0,0]=4 81 B9R1.69 CC1=CN=C(F)C(O)=C1 4H56-3-P3 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.69 CC1=CN=C(O)N=C1O 4H04-1-10 [0,0,0,0,0,1|2,0,1]=4 83 B9R1.69 CC1=NC=C(Br)C(O)=N1 4H01-9-0S [0,0,0,0,0,1|2,0,1]=4 84 B9R1.69 CC1=NC=C(Br)C=C1O 4H01-9-0T [0,0,0,0,0,1|2,0,1]=4 85 B9R1.69 CC1=NC=C(F)C(O)=N1 4H01-3-1Y [0,0,0,0,0,1|2,0,1]=4 86 B9R1.69 CC1=NC=C(F)C=C1O 4H56-3-3H [0,0,0,0,0,1|2,0,1]=4 87 B9R1.69 CC1=NN(C)C(=O)CC1 4H17-1-89 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.69 CC1=NNC(=O)C(N)=C1 4H56-1-CU [0,0,0,0,0,1|3,0,0]=4 89 B9R1.69 CC1=NNC(=O)NC1=S 8H67-1-60 [0,0,0,0,0,1|2,1,0]=4 90 B6R0.1 C=COC(=O)C=C 2223-1-10 [1,0,1,0,0,0|1,0,1]=4 91 B6R0.1 CCOC(=O)NO 4156-1-45 [1,0,1,0,0,0|1,0,1]=4 92 B6R0.1 CCO\C(C)=N\O 4147-1-09 [1,0,1,0,0,0|1,0,1]=4 93 B6R0.1 COC(=O)\C=C/Br 2324-9-Z0 [1,0,1,0,0,0|2,0,0]=4 94 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,1,0,0,0|1,0,1]=4 95 B6R0.4 CC(=O)OCC=O 2123-1-53 [1,0,1,0,0,0|0,0,1]=3 96 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,1,0,0,0|1,0,1]=4 97 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,1,0,0,0|0,0,1]=3 98 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,1,0,0,0|2,0,0]=4 99 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,1,0,0,0|2,0,0]=4 100 B6R0.3 C=C(Br)C(=O)OC 2324-9-09 [1,0,1,0,0,0|2,0,0]=4 101 B6R0.3 CCC(O)C(=O)O 2129-1-1J [1,0,1,0,0,0|0,0,2]=4 102 B6R0.3 CC[C@@H](O)C(=O)O 2129-1-RF [1,0,1,0,0,0|0,0,2]=4 103 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [1,0,1,0,0,0|1,0,1]=4 104 B6R0.3 CNC(C)C(=O)O 4157-1-0A [1,0,1,0,0,0|1,0,1]=4 105 B6R0.3 COC(=O)C(=O)[O-] 2123-1-56 [1,0,1,0,0,0|1,0,1]=4 106 B6R0.3 COC(=O)C(C)=O 2129-1-05 [1,0,1,0,0,0|1,0,1]=4 107 B6R0.3 CON(C)C(=O)Cl 4156-5-0L [1,0,1,0,0,0|2,0,0]=4 108 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [1,0,1,0,0,0|0,0,1]=3 109 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [1,0,1,0,0,0|0,0,1]=3 110 B6R0.3 C\C=C(/C)C(=O)Cl 2316-5-E0 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.3 O=C(O)C(=O)CBr 2129-9-X1 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [1,0,1,0,0,0|1,0,1]=4 113 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [1,0,1,0,0,0|0,0,1]=3 114 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [1,0,1,0,0,0|0,0,1]=3 115 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [1,0,1,0,0,0|0,0,1]=3 116 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [1,0,1,0,0,0|0,0,1]=3 117 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [1,0,1,0,0,0|0,0,1]=3 118 B6R0.2 CC(=O)\[C-]=C(/C)[O-] 9118-1-01 [1,0,1,0,0,0|0,0,2]=4 119 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [1,0,1,0,0,0|2,0,0]=4 120 B6R1.2 CC1=CC=CN1 3H31-1-1L [2,0,0,0,0,0|1,0,1]=4 121 B6R1.2 CC1=CC=NO1 4H44-1-23 [2,0,0,0,0,0|1,0,0]=3 122 B6R1.2 CC1=CCCC1 1400-1-16 [2,0,0,0,0,0|1,0,1]=4 123 B6R1.2 CC1=NCCO1 4H56-1-Z8 [2,0,0,0,0,0|1,0,1]=4 124 B6R1.2 CC1=NSC=C1 7H70-1-06 [2,0,0,0,0,0|2,0,0]=4 125 B6R1.2 IC1=CON=C1 4H47-H-00 [2,0,0,0,0,0|2,0,0]=4 126 B6R1.2 O=C1C=CCO1 2H25-1-15 [2,0,0,0,0,0|1,0,0]=3 127 B6R1.2 O=C1CC=CC1 2417-1-00 [2,0,0,0,0,0|1,0,1]=4 128 B6R1.2 OC1=NOC=C1 4H56-1-425 [2,0,0,0,0,0|1,0,1]=4 129 B8R0.9 CC(=O)OCC(=O)CCl 2129-5-0G [0,1,1,0,0,0|1,0,1]=4 130 B8R0.18 CC(=O)C(=NO)C(C)=O 4145-1-04 [0,1,1,0,0,0|0,0,1]=3 131 B8R1.1 CC1=CC(C=O)=NO1 4H15-1-W8 [1,1,0,0,0,0|1,0,0]=3 132 B8R1.1 CC1=CC(CN)=NO1 4H56-1-5A [1,1,0,0,0,0|2,0,0]=4 133 B8R1.1 CC1=NOC(C=O)=C1 4H15-1-0Z [1,1,0,0,0,0|2,0,0]=4 134 B8R1.1 CC1=NOC(CN)=C1 4H30-1-34 [1,1,0,0,0,0|2,0,0]=4 135 B8R1.1 CC1=NOC(CO)=C1 4H01-1-37 [1,1,0,0,0,0|2,0,0]=4 136 B8R1.1 COC1=CC(=O)CC1 2417-1-0G [1,1,0,0,0,0|1,0,0]=3 137 B8R1.1 COC1=CC(=O)NC1 4H48-1-00H [1,1,0,0,0,0|2,0,0]=4 138 B8R1.1 COC1=CC(N)=NO1 4H30-1-9Z [1,1,0,0,0,0|2,0,0]=4 139 B8R1.1 COC1=NOC(C)=C1 4H07-1-5E [1,1,0,0,0,0|1,0,1]=4 140 B8R1.1 CSC1=NC(=O)CS1 8H70-1-2C [1,1,0,0,0,0|1,1,0]=4 141 B8R1.1 ClCC1=CC(Br)=NO1 4H56-D-X6 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.1 O=C1C=C(CBr)CO1 2H25-9-63 [1,1,0,0,0,0|2,0,0]=4 143 B8R1.18 CC1=CC(=O)C(C)O1 2H17-1-69 [1,1,0,0,0,0|0,0,0]=2 144 B8R1.18 CC1=CC(=O)OC1O 2425-1-01 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.18 CC1=CC(S)=C(C)O1 6H61-1-02 [1,1,0,0,0,0|0,1,1]=4 146 B8R1.11 C#CC1=CCCC1=O 2517-1-01 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.11 CC1=C(CN)OC=C1 4H30-1-X2 [1,1,0,0,0,0|1,0,1]=4 148 B8R1.11 CC1=C(CO)OC=C1 2H01-1-12 [1,1,0,0,0,0|1,0,1]=4 149 B8R1.11 CC1OCC\C1=N\O 4H47-1-38 [1,1,0,0,0,0|0,0,2]=4 150 B8R1.11 CSC1=C(C)OC=C1 6H66-1-0Y [1,1,0,0,0,0|0,1,1]=4 151 B10R1.2 CC1=CC=CC(C=O)=C1O 2715-1-10 [0,1,0,0,0,1|1,0,1]=4 152 B10R1.2 CCC1=C(O)C(=O)C=CO1 2H20-1-43 [0,1,0,0,0,1|0,0,1]=3 153 B10R1.119 CC1=C(O)C(=O)C=CN1C 4H56-1-0HH [0,1,0,0,0,1|1,0,1]=4 154 B10R1.176 CC1=CC=C(C=O)C=C1O 2720-1-0B [0,1,0,0,0,1|1,0,1]=4 155 B10R1.176 O=C1C=C(CCl)OCC1=O 2H18-5-00 [0,1,0,0,0,1|0,0,1]=3 156 B10R1.187 CC1=C(CCO)C(=O)NN1 4H39-1-04 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.256 CC1=NN(C)C(=O)\C1=N/O 4H47-1-47 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.256 COC1=C(C)OC(C)C1=O 2H17-1-0V [0,2,0,0,0,0|0,0,0]=2 159 B10R1.34 CCC1OC(C)C(=O)C1=O 2H18-1-0F [0,2,0,0,0,0|0,0,2]=4 160 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 4H21-1-GH [0,2,0,0,0,0|2,0,0]=4 161 B6R1.5 CC1CC(=O)C1 2217-1-09 [1,0,0,0,1,0|0,0,2]=4 162 B8R1.4 CC1=CC(=O)CCC1 2417-1-0F [1,0,0,0,0,1|1,0,0]=3 163 B8R1.4 CC1=CC(=O)NN=C1 4H17-1-43 [1,0,0,0,0,1|2,0,0]=4 164 B8R1.4 O=C1COCC(=O)C1 2H18-1-08 [1,0,0,0,0,1|1,0,1]=4 165 B8R1.4 O=C1COCC(=O)N1 4H48-1-FD [1,0,0,0,0,1|2,0,0]=4 166 B8R1.4 O=C1COCC(=O)O1 2H26-1-X1 [1,0,0,0,0,1|2,0,0]=4