0 B7R1.2 BrC1=CSC(Br)=C1 MC41669 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 CC1=CN(C)C=N1 MC111221 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CC1=CN(C)N=C1 CS20542 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CN(C)N=N1 MC103246 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 CC1=CN=C(Br)S1 CS12301 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CC1=CN=C(N)S1 CS21821 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=CNC(Br)=N1 MC111806 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=COC(Br)=N1 MC113513 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CC1=CSC(Br)=N1 CS18300 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=NC(I)=CS1 MC432141 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 CC1=NC=C(I)N1 CS19295 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=NC=C(I)S1 MC441133 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 CC1=NC=C(N)N1 MC445566 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 CC1=NC=C(N)S1 CS15937 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 CC1=NN=C(Br)S1 CS22523 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 CC1=NN=C(N)N1 CS22083 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CC1=NNC(C)=N1 MC444208 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.2 CC1=NSC(Br)=N1 MC115942 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,0,0,0|2,0,1]=3 47 B7R1.2 CN1C=C(Br)C=N1 CS19794 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.2 CN1C=C(Br)N=N1 CS14890 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 CN1C=C(Cl)C=N1 CS12276 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.2 CN1C=C(I)C=N1 CS20765 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 CN1C=C(N)C=N1 CS12134 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.2 CN1C=C(N)C=N1 CS15973 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CN1C=C(N)C=N1 MC41661 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 CN1C=C(N)N=N1 MC110917 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.2 CN1C=CC(=O)N1 CS17197 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.2 CN1C=CC(N)=C1 CS17699 [0,0,0,0,0,0|2,0,2]=4 57 B7R1.2 CN1C=NC(I)=C1 CS16068 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 CN1C=NC(N)=C1 CS15605 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.2 CN1C=NC(N)=C1 MC102995 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,0,0,0|1,0,1]=2 61 B7R1.2 CN1CCC(N)C1 MC444033 [0,0,0,0,0,0|2,0,2]=4 62 B7R1.2 CN1CCC(N)C1 MC444055 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.2 CN1CCC(N)C1 MC444130 [0,0,0,0,0,0|2,0,2]=4 64 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,0,0,0|1,0,3]=4 65 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,0,0,0|1,0,3]=4 66 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,0,0,0|1,0,3]=4 67 B7R1.2 FC1=CSC(Br)=C1 MC430931 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.2 NC1=CC(Cl)=CS1 MC104036 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 NC1=CC(Cl)=NN1 MC103573 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 NC1=CC(N)=NN1 MC106500 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.2 NC1=CSC(Cl)=C1 MC102443 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.2 NC1=CSC(Cl)=C1 MC104600 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 NC1=NC(=O)NN1 MC429809 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.2 NC1=NNC(=O)C1 CS14532 [0,0,0,0,0,0|3,0,1]=4 77 B7R1.2 NC1=NNC(Br)=C1 CS15854 [0,0,0,0,0,0|4,0,0]=4 78 B7R1.2 NC1=NNC(F)=C1 MC103696 [0,0,0,0,0,0|4,0,0]=4 79 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,0,0,0|2,0,2]=4 82 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,0,0,0|2,0,0]=2 83 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,0,0,0|2,0,0]=2 84 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,0,0,0|2,0,2]=4 85 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,0,0,0|2,0,2]=4 86 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,0,0,0|2,0,0]=2 87 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,0,0,0|1,0,2]=3 88 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,0,0,0|2,0,1]=3 89 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,0,0,0|3,0,0]=3 90 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,0,0,0|3,0,0]=3 91 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [0,0,0,0,0,0|3,0,1]=4 93 B6R1.2 BrC1=CC=CS1 CS21414 [1,0,0,0,0,0|2,0,1]=4 94 B6R1.2 BrC1=CC=C[Se]1 MC114898 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 BrC1=CC=NN1 CS17757 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 BrC1=COC=C1 CS19877 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 BrC1=CSC=C1 CS21415 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 BrC1=NNC=C1 CS19717 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 BrC1=NOC=C1 MC113742 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 BrC1=NSC=C1 CS11529 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,0,0|1,0,1]=3 102 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,0,0|1,0,1]=3 103 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,0,0|1,0,1]=3 104 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,0,0|2,0,0]=3 105 B6R1.2 CC1=CN=CS1 CS10460 [1,0,0,0,0,0|2,0,1]=4 106 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,0,0|1,0,1]=3 107 B6R1.2 CC1=CNC=N1 MC20397 [1,0,0,0,0,0|2,0,1]=4 108 B6R1.2 CC1=CNN=C1 CS22982 [1,0,0,0,0,0|2,0,1]=4 109 B6R1.2 CC1=CNN=N1 CS12910 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 CC1=COC=N1 MC427478 [1,0,0,0,0,0|2,0,1]=4 111 B6R1.2 CC1=CSC=N1 CS15621 [1,0,0,0,0,0|2,0,1]=4 112 B6R1.2 CC1=NC=CO1 CS11827 [1,0,0,0,0,0|2,0,1]=4 113 B6R1.2 CC1=NC=CS1 CS22598 [1,0,0,0,0,0|2,0,1]=4 114 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,0,0|1,0,1]=3 115 B6R1.2 CC1=NN=CO1 CS12863 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,0,0|2,0,0]=3 117 B6R1.2 CC1=NNC=N1 CS22353 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.2 CC1CCCN1 CS18299 [1,0,0,0,0,0|1,0,2]=4 120 B6R1.2 CC1CCCN1 CS18800 [1,0,0,0,0,0|1,0,2]=4 121 B6R1.2 CC1CCCN1 CS19735 [1,0,0,0,0,0|1,0,2]=4 122 B6R1.2 CC1CCCN1 CS21699 [1,0,0,0,0,0|1,0,2]=4 123 B6R1.2 CC1CCCN1 CS21700 [1,0,0,0,0,0|1,0,2]=4 124 B6R1.2 CC1CCCN1 MC428345 [1,0,0,0,0,0|1,0,2]=4 125 B6R1.2 CC1CCCO1 MC20580 [1,0,0,0,0,0|1,0,2]=4 126 B6R1.2 CN1C=CC=C1 CS20770 [1,0,0,0,0,0|1,0,2]=4 127 B6R1.2 CN1C=CC=N1 CS19419 [1,0,0,0,0,0|2,0,1]=4 128 B6R1.2 CN1C=CN=C1 CS19753 [1,0,0,0,0,0|2,0,1]=4 129 B6R1.2 CN1C=CN=N1 CS20743 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 ClC1=CC=NN1 CS16937 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 ClC1=NNC=C1 MC103128 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 FC1=CC=NN1 MC104307 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 IC1=CC=CS1 CS21616 [1,0,0,0,0,0|2,0,1]=4 134 B6R1.2 IC1=CSC=C1 CS22332 [1,0,0,0,0,0|2,0,1]=4 135 B6R1.2 IC1=NNC=C1 CS13669 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 NC1=CC=NS1 MC20989 [1,0,0,0,0,0|3,0,0]=4 137 B6R1.2 NC1=CSC=C1 CS12280 [1,0,0,0,0,0|2,0,1]=4 138 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,0,0,0|2,0,1]=4 139 B6R1.2 NC1=NNC=C1 CS22527 [1,0,0,0,0,0|3,0,0]=4 140 B6R1.2 NC1=NOC=C1 CS14368 [1,0,0,0,0,0|3,0,0]=4 141 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,0,0,0|2,0,0]=3 142 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,0,0,0|2,0,0]=3 143 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,0,0|2,0,0]=3 144 B6R1.2 O=C1CC=NN1 CS20496 [1,0,0,0,0,0|2,0,1]=4 145 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,0,0,0|0,0,2]=3 146 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,0,0,0|1,0,1]=3 147 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,0,0,0|1,0,1]=3 148 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,0,0,0|1,0,1]=3 149 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,0,0,0|2,0,1]=4 150 B6R1.2 O=C1NC=CN1 MC20853 [1,0,0,0,0,0|2,0,1]=4 151 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,0,0,0|2,0,1]=4 152 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,0,0,0|2,0,1]=4 153 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.1 BrCC1=CC(Br)=CS1 MC107253 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.1 CC1=CC(C#N)=NN1 MC10461 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 CC1=CC(C#N)=NO1 CS10448 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,0,0,0|1,0,1]=3 163 B8R1.1 CC1=COC(C=O)=N1 MC104070 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.1 CC1=NSC(C#N)=C1 MC116143 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.1 COC1=CC(N)=NO1 CS18977 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.1 CSC1=NNC(N)=C1 CS16036 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.1 NC1=CC(CO)=NN1 MC444277 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,0,0,0|1,0,2]=4 175 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,0,0,0|1,0,2]=4 176 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,0,0,0|1,0,2]=4 177 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,0,0,0|1,0,2]=4 181 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,0,0,0|1,0,1]=3 182 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,0,0,0|1,0,1]=3 183 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.1 OCC1=CSC(Cl)=C1 MC102400 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.50 CC1=C(C)C(N)=NN1 CS22497 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,0,0,0|0,0,0]=1 211 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.50 CC1=CSC(C)=C1Br CS16729 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.50 CC1=NNC(C)=C1Br CS18052 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.50 CC1=NNC(C)=C1I CS18086 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.50 CC1=NOC(C)=C1I CS17867 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.50 CC1=NOC(C)=C1N MC425384 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,0,0,0|1,0,1]=3 218 B8R1.50 CN1CCN(C)C1=O CS16948 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.50 CN1CC[N+](C)=C1Cl CS21423 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,1,0,0,0,0|1,0,2]=4 224 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 CCNC(=O)NC MC428152 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.1 CCOC(=O)CBr MC41907 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.1 CCOC(=O)CCl MC41910 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.1 CCOC(=O)CN CS15347 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.1 CCOC(=O)CO CS11386 [0,0,1,0,0,0|2,0,1]=4 231 B6R0.1 CNCC(=O)OC MC438154 [0,0,1,0,0,0|2,0,1]=4 232 B6R0.1 COC(=O)\C=C\I MC20613 [0,0,1,0,0,0|2,0,0]=3 233 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,1,0,0,0|1,0,0]=2 234 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,1,0,0,0|1,0,0]=2 235 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,1,0,0,0|1,0,0]=2 236 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,1,0,0,0|2,0,1]=4 237 B6R0.4 C#CCCC(=O)Cl MC106035 [0,0,1,0,0,0|1,0,2]=4 238 B6R0.4 C#CCCC(=O)O MC428029 [0,0,1,0,0,0|1,0,2]=4 239 B6R0.4 C#CCCC(N)=O MC106194 [0,0,1,0,0,0|1,0,2]=4 240 B6R0.4 C=CCCC(=O)O CS15216 [0,0,1,0,0,0|1,0,1]=3 241 B6R0.4 CC(=O)CCCBr CS10305 [0,0,1,0,0,0|1,0,2]=4 242 B6R0.4 CC(=O)CCCCl CS10334 [0,0,1,0,0,0|1,0,2]=4 243 B6R0.4 CC(C)CCC=O MC428026 [0,0,1,0,0,0|0,0,2]=3 244 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,1,0,0,0|1,0,1]=3 245 B6R0.4 N#CCCC(=O)O CS22262 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.4 NCCCC(=O)O CS14998 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.4 NCCCC(N)=O MC112262 [0,0,1,0,0,0|2,0,1]=4 248 B6R0.4 O=C(Cl)CCCCl MC40450 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.4 O=C(O)CCCBr CS14053 [0,0,1,0,0,0|2,0,1]=4 250 B6R1.4 CC1COC1=O MC121237 [0,0,0,0,1,0|1,0,1]=3 251 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,0,1,0|1,0,2]=4 252 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,0,1,0|1,0,2]=4 253 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,0,0,1|0,0,2]=3 254 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,0,0,1|1,0,2]=4 255 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [0,0,0,0,0,1|1,0,2]=4 256 B8R1.3 CC1=CC=C(Br)N=N1 CS12937 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [0,0,0,0,0,1|1,0,2]=4 258 B8R1.3 CC1=CC=C(Cl)N=N1 CS17682 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [0,0,0,0,0,1|1,0,2]=4 260 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [0,0,0,0,0,1|1,0,2]=4 261 B8R1.3 CC1=CC=C(I)N=N1 MC444284 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [0,0,0,0,0,1|1,0,2]=4 263 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [0,0,0,0,0,1|1,0,2]=4 264 B8R1.3 CC1=CC=C(N)N=N1 MC444230 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [0,0,0,0,0,1|0,0,3]=4 266 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [0,0,0,0,0,1|0,0,3]=4 267 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [0,0,0,0,0,1|0,1,2]=4 269 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [0,0,0,0,0,1|1,0,2]=4 270 B8R1.3 CC1=CN=C(Br)N=C1 CS12207 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [0,0,0,0,0,1|1,0,2]=4 272 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [0,0,0,0,0,1|1,0,2]=4 273 B8R1.3 CC1=CN=C(Cl)C=N1 CS21471 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.3 CC1=CN=C(Cl)N=C1 CS19723 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [0,0,0,0,0,1|1,0,2]=4 276 B8R1.3 CC1=CN=C(I)N=C1 MC443807 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [0,0,0,0,0,1|1,0,2]=4 278 B8R1.3 CC1=CN=C(N)C=N1 CS18361 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.3 CC1=CN=C(N)N=C1 CS21761 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [0,0,0,0,0,1|0,0,3]=4 281 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [0,0,0,0,0,1|1,0,2]=4 282 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,0,0,0,0,1|0,0,2]=3 283 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [0,0,0,0,0,1|1,0,2]=4 284 B8R1.3 CC1=NC=C(Br)C=N1 CS18474 [0,0,0,0,0,1|2,0,1]=4 285 B8R1.3 CC1=NC=C(Cl)C=N1 CS10333 [0,0,0,0,0,1|2,0,1]=4 286 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [0,0,0,0,0,1|1,0,2]=4 287 B8R1.3 CC1=NC=C(F)C=N1 CS14641 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [0,0,0,0,0,1|1,0,2]=4 289 B8R1.3 CC1=NC=C(N)C=N1 CS14284 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [0,0,0,0,0,1|1,0,2]=4 291 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,0,0,1|2,0,0]=3 293 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,0,0,1|1,0,1]=3 294 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [0,0,0,0,0,1|1,0,2]=4 295 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,0,0,1|1,0,2]=4 296 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,0,0,1|1,0,2]=4 297 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,0,0,1|1,0,2]=4 298 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [0,0,0,0,0,1|1,0,2]=4 299 B8R1.3 O=C1C=CC(Br)=NN1 CS18174 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.3 O=C1C=CC(Cl)=NN1 CS19694 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [0,0,0,0,0,1|1,0,2]=4 302 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,0,0,1|1,0,1]=3 303 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,0,0,1|1,0,1]=3 304 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,0,0,1|1,0,2]=4 305 B8R1.3 O=C1N=CC(Br)=CN1 CS10266 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.3 O=C1N=CC(I)=CN1 CS10410 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,0,0,0,0,1|1,0,1]=3 308 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,0,0,0,0,1|1,0,2]=4 309 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,0,0,0,0,1|2,0,1]=4 310 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,0,0,0,1|1,0,2]=4 312 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,0,0,0,0,1|1,0,2]=4 313 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,0,0,0,0,1|2,0,1]=4 314 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,0,0,0,0,1|1,0,2]=4 315 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,0,0,0,1|1,0,2]=4 316 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,0,0,0,0,1|2,0,1]=4 317 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,0,0,1|0,0,3]=4 318 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,0,0,0,0,1|1,0,2]=4 319 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,0,0,1|0,0,2]=3 320 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,0,0,1|1,0,2]=4 321 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,0,0,0,1|1,0,2]=4 322 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,0,0,0,1|1,0,2]=4 323 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,0,0,0,1|1,0,2]=4 324 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,0,0,0,1|1,0,2]=4 325 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,0,0,0,1|1,0,2]=4 326 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,0,0,1|0,0,3]=4 327 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,0,0,0,1|0,1,2]=4 328 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,0,0,0,0,1|1,0,2]=4 329 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,0,0,0,0,1|1,0,2]=4 330 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,0,0,0,0,1|1,0,2]=4 331 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,0,0,0,0,1|1,0,2]=4 332 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,0,0,0,1|1,0,2]=4 333 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,0,0,0,1|0,0,3]=4 334 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,0,0,0,0,1|2,0,1]=4 335 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [0,0,0,0,0,1|2,0,1]=4 336 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [0,0,0,0,0,1|2,0,1]=4 337 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,0,0,1|1,0,2]=4 338 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,0,0,0,0,1|1,0,2]=4 339 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,0,0,0,0,1|1,0,2]=4 340 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,0,0,0,0,1|1,0,2]=4 341 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,0,0,0,0,1|1,0,2]=4 342 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,0,0,0,1|1,0,2]=4 343 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,0,0,1|0,0,3]=4 344 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,0,0,1|0,0,2]=3 345 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,0,0,1|0,0,2]=3 346 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,0,0,1|0,0,2]=3 347 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,0,0,1|0,0,2]=3 348 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,0,0,1|0,0,2]=3 349 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,0,0,1|0,0,2]=3 350 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,0,0,1|1,0,1]=3 351 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,0,0,1|1,0,1]=3 352 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,0,0,1|1,0,1]=3 353 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,0,0,1|2,0,1]=4 354 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,0,0,1|1,0,1]=3 355 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,0,0,1|1,0,1]=3 356 B8R1.4 NC1=CC(=O)NN=C1 MC104083 [0,0,0,0,0,1|2,0,1]=4 357 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,0,0,1|1,0,2]=4 358 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,0,0,1|1,0,2]=4 359 B8R1.4 O=C1C=C(Cl)C=NN1 CS12688 [0,0,0,0,0,1|2,0,1]=4 360 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,0,0,0,0,1|1,0,2]=4 361 B8R1.4 O=C1C=C(I)C=NN1 CS12955 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,0,0,0,0,1|1,0,2]=4 363 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,0,0,1|1,0,1]=3 364 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,0,0,0,1|2,0,0]=3 365 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,0,0,1|1,0,1]=3 366 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,0,0,0,0,1|2,0,0]=3 367 B5R0.1 C=C(C)CCBr CS14513 [1,0,1,0,0,0|1,0,0]=3 368 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,1,0,0,0|2,0,0]=4 369 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,1,0,0,0|2,0,0]=4 370 B5R0.1 CC(C)=CCBr MC41900 [1,0,1,0,0,0|1,0,1]=4 371 B5R0.1 CC(C)CC=O CS11530 [1,0,1,0,0,0|0,0,2]=4 372 B5R0.1 CCCC(C)=O CS21731 [1,0,1,0,0,0|0,0,1]=3 373 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,1,0,0,0|2,0,0]=4 374 B5R0.1 CN(C)CC=O CS17734 [1,0,1,0,0,0|1,0,1]=4 375 B5R0.1 CNCC(=O)O CS18595 [1,0,1,0,0,0|2,0,0]=4 376 B5R0.1 CNCC(N)=O MC438151 [1,0,1,0,0,0|2,0,0]=4 377 B5R0.1 COCC(=O)Cl MC40491 [1,0,1,0,0,0|2,0,0]=4 378 B5R0.1 COCC(=O)O CS11579 [1,0,1,0,0,0|2,0,0]=4 379 B5R0.1 COCC(N)=O MC41924 [1,0,1,0,0,0|2,0,0]=4 380 B5R0.1 CSCC(=O)Cl MC106201 [1,0,1,0,0,0|2,0,0]=4 381 B5R0.1 CSCC(N)=O CS12608 [1,0,1,0,0,0|2,0,0]=4 382 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,1,0,0,0|1,0,0]=3 383 B5R0.1 NCCC(=O)O CS13499 [1,0,1,0,0,0|2,0,0]=4 384 B5R0.1 NCCC(N)=O MC436150 [1,0,1,0,0,0|2,0,0]=4 385 B5R0.1 O=C(O)CCO MC20638 [1,0,1,0,0,0|2,0,0]=4 386 B5R0.2 C=CCCON MC110761 [1,0,1,0,0,0|2,0,0]=4 387 B5R0.2 C=CCC[Zn]Br MC121337 [1,0,1,0,0,0|2,0,0]=4 388 B5R0.3 CNC(=O)CCl MC21094 [1,0,1,0,0,0|2,0,0]=4 389 B5R0.3 CNC(=O)CN MC437710 [1,0,1,0,0,0|2,0,0]=4 390 B5R0.3 COC(=O)CN CS15045 [1,0,1,0,0,0|2,0,0]=4 391 B5R0.3 COC(=O)CO CS19433 [1,0,1,0,0,0|2,0,0]=4 392 B5R0.3 COC(=O)CS MC20578 [1,0,1,0,0,0|2,0,0]=4 393 B5R0.3 O=CC(=O)CO MC427604 [1,0,1,0,0,0|2,0,0]=4 394 B5R1.1 C1=CCNC1 MC10278 [2,0,0,0,0,0|1,0,1]=4 395 B5R1.1 C1=CNC=C1 MC20798 [2,0,0,0,0,0|1,0,1]=4 396 B5R1.1 C1=CNN=C1 CS18933 [2,0,0,0,0,0|2,0,0]=4 397 B5R1.1 C1=CON=C1 MC20462 [2,0,0,0,0,0|2,0,0]=4 398 B5R1.1 C1=CSC=C1 MC41709 [2,0,0,0,0,0|1,0,1]=4 399 B5R1.1 C1=CSN=C1 MC20995 [2,0,0,0,0,0|2,0,0]=4 400 B5R1.1 C1=C[CH-]C=C1 MC21078 [2,0,0,0,0,0|0,0,2]=4 401 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,1,0,0,0|0,0,1]=3 403 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,1,0,0,0|1,0,0]=3 404 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,1,0,0,0|1,0,1]=4 405 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,1,0,0,0|1,0,0]=3 406 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,1,0,0,0|1,0,0]=3 407 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,1,0,0,0|1,0,0]=3 408 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,1,0,0,0|1,0,1]=4 409 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,1,0,0,0|1,0,1]=4 410 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,1,0,0,0|1,0,1]=4 411 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,1,0,0,0|1,0,1]=4 412 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,1,0,0,0|1,0,1]=4 413 B7R0.7 CC#CC(=O)OCC CS10117 [0,1,1,0,0,0|0,0,2]=4 414 B7R0.7 CCOC(=O)CCN CS14330 [0,1,1,0,0,0|1,0,1]=4 415 B7R0.7 CCOC(=O)CNC CS17068 [0,1,1,0,0,0|1,0,1]=4 416 B7R0.7 CCOC(=O)COC CS11389 [0,1,1,0,0,0|1,0,1]=4 417 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [0,1,1,0,0,0|1,0,1]=4 419 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,1,1,0,0,0|2,0,0]=4 420 B7R0.4 C=CCNCC(=O)O MC439317 [0,1,1,0,0,0|1,0,1]=4 421 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,1,0,0,0|0,0,2]=4 422 B7R0.4 CCCOCC(=O)O MC425744 [0,1,1,0,0,0|1,0,1]=4 423 B7R0.4 NCCCCC(=O)O MC428108 [0,1,1,0,0,0|1,0,1]=4 424 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,1,0,0,0|1,0,1]=4 425 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,1,1,0,0,0|0,0,0]=2 426 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,1,1,0,0,0|1,0,0]=3 427 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,1,1,0,0,0|0,0,2]=4 429 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,1,0,0,0|1,0,1]=4 430 B7R0.6 CN(C)CCC(=O)O CS12169 [0,1,1,0,0,0|1,0,1]=4 431 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,1,1,0,0,0|2,0,0]=4 432 B7R1.1 BrCC1=CC=CS1 MC111260 [1,1,0,0,0,0|1,0,1]=4 433 B7R1.1 BrCC1=CC=NO1 MC114075 [1,1,0,0,0,0|2,0,0]=4 434 B7R1.1 BrCC1=COC=C1 MC111404 [1,1,0,0,0,0|1,0,1]=4 435 B7R1.1 COC1=CSC=C1 CS22351 [1,1,0,0,0,0|1,0,1]=4 436 B7R1.1 COC1=NCCC1 CS10423 [1,1,0,0,0,0|1,0,1]=4 437 B7R1.1 ClCC1=CC=CO1 CS13429 [1,1,0,0,0,0|1,0,1]=4 438 B7R1.1 ClCC1=NNC=C1 MC442276 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.1 NCC1=CC=CN1 CS14874 [1,1,0,0,0,0|1,0,1]=4 440 B7R1.1 NCC1=CC=CO1 MC41689 [1,1,0,0,0,0|1,0,1]=4 441 B7R1.1 NCC1=CC=CS1 CS22783 [1,1,0,0,0,0|1,0,1]=4 442 B7R1.1 NCC1=CSC=C1 CS22417 [1,1,0,0,0,0|1,0,1]=4 443 B7R1.1 NCC1=NNC=C1 CS15493 [1,1,0,0,0,0|2,0,0]=4 444 B7R1.1 NCC1=NSC=C1 MC105065 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.1 O=CC1=CC=CN1 CS17764 [1,1,0,0,0,0|1,0,1]=4 446 B7R1.1 O=CC1=CC=CN1 MC434011 [1,1,0,0,0,0|1,0,1]=4 447 B7R1.1 O=CC1=CC=CO1 MC41686 [1,1,0,0,0,0|1,0,1]=4 448 B7R1.1 O=CC1=CC=CS1 CS16400 [1,1,0,0,0,0|1,0,1]=4 449 B7R1.1 O=CC1=CCCC1 CS12865 [1,1,0,0,0,0|0,0,1]=3 450 B7R1.1 O=CC1=CNC=C1 CS20728 [1,1,0,0,0,0|1,0,1]=4 451 B7R1.1 O=CC1=CSC=C1 CS14553 [1,1,0,0,0,0|1,0,1]=4 452 B7R1.1 O=CC1=NNC=C1 CS18284 [1,1,0,0,0,0|2,0,0]=4 453 B7R1.1 OCC1=CC=CO1 MC41687 [1,1,0,0,0,0|1,0,1]=4 454 B7R1.1 OCC1=CC=NO1 CS15343 [1,1,0,0,0,0|2,0,0]=4 455 B7R1.1 OCC1=COC=C1 CS22303 [1,1,0,0,0,0|1,0,1]=4 456 B7R1.1 OCC1=CSC=C1 CS18039 [1,1,0,0,0,0|1,0,1]=4 457 B7R1.4 CC1=C(Br)C=NN1 CS16927 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.4 CC1=C(Br)SC=C1 CS13700 [1,1,0,0,0,0|1,0,1]=4 459 B7R1.4 CC1=CC=NN1C CS19266 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.4 CC1=CNN=C1C CS13346 [1,1,0,0,0,0|2,0,0]=4 461 B7R1.4 CC1=CSC=C1Br MC441134 [1,1,0,0,0,0|1,0,1]=4 462 B7R1.4 CC1=CSC=C1N MC427269 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.4 CC1=NNC=C1Br CS15947 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.4 CC1=NNC=C1I CS22358 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.4 CC1=NOC=C1N CS17073 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.4 CC1=NSC=C1Br MC100263 [1,1,0,0,0,0|2,0,0]=4 467 B7R1.4 CC1OCCC1=O CS14135 [1,1,0,0,0,0|1,0,1]=4 468 B7R1.4 CN1CCCC1=O MC41699 [1,1,0,0,0,0|1,0,1]=4 469 B7R1.4 NC1CCNC1=O MC107169 [1,1,0,0,0,0|1,0,1]=4 470 B7R1.4 NC1CCNC1=O MC115917 [1,1,0,0,0,0|1,0,1]=4 471 B7R1.4 NC1CCOC1=O CS18578 [1,1,0,0,0,0|1,0,1]=4 472 B7R1.4 NC1CCOC1=O MC439296 [1,1,0,0,0,0|1,0,1]=4 473 B7R1.4 NC1CCSC1=O MC428331 [1,1,0,0,0,0|1,0,1]=4 474 B7R1.4 NC1CONC1=O CS19264 [1,1,0,0,0,0|2,0,0]=4 475 B7R1.4 NC1CONC1=O CS22528 [1,1,0,0,0,0|2,0,0]=4 476 B7R1.4 NC1CONC1=O MC436879 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.4 O=C1CCC=C1O CS14654 [1,1,0,0,0,0|0,0,0]=2 478 B7R1.4 O=C1CCCC1Br MC445112 [1,1,0,0,0,0|0,0,2]=4 479 B7R1.4 O=C1NCCC1O CS19486 [1,1,0,0,0,0|1,0,1]=4 480 B7R1.4 O=C1NCCC1O MC115910 [1,1,0,0,0,0|1,0,1]=4 481 B7R1.4 O=C1NCCC1O MC444274 [1,1,0,0,0,0|1,0,1]=4 482 B7R1.14 O=S1(=O)C=CCO1 CS13255 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.14 O=S1(=O)CCC=N1 MC103630 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,0,1,0|0,0,1]=3 485 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,0,1,0|0,0,1]=3 486 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,0,1,0|0,0,1]=3 487 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,0,1,0|0,0,2]=4 488 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,0,1,0|1,0,1]=4 489 B7R1.10 O=C1CC(CI)N1 MC111759 [0,1,0,0,1,0|1,0,1]=4 490 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,0,1,0|0,0,2]=4 491 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [0,1,0,0,0,1|0,0,2]=4 492 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [0,1,0,0,0,1|0,0,2]=4 493 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [0,1,0,0,0,1|1,0,1]=4 494 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [0,1,0,0,0,1|1,0,1]=4 495 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [0,1,0,0,0,1|0,0,2]=4 496 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [0,1,0,0,0,1|1,0,1]=4 497 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,0,0,1|0,0,2]=4 498 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,0,0,1|0,0,2]=4 499 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,0,0,1|0,0,2]=4 500 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [0,1,0,0,0,1|0,0,2]=4 501 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,0,0,1|0,0,2]=4 502 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,0,0,1|0,0,2]=4 503 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [0,1,0,0,0,1|0,0,2]=4 504 B9R1.69 CC1=CC(C)=NNC1=O MC105060 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 CC1=CNC(=O)C(N)=C1 CS21574 [0,1,0,0,0,1|0,0,2]=4 506 B9R1.69 CC1=CNC(=O)N=C1N CS18115 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.69 CC1=CNC(=O)NC1=O MC41652 [0,1,0,0,0,1|1,0,1]=4 508 B9R1.69 CC1=NNC(=O)N(N)C1 MC114402 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,0,0,1|0,0,1]=3 510 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,0,0,1|1,0,1]=4 511 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,0,0,1|1,0,0]=3 512 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,1,0,0,0,1|1,0,1]=4 513 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,1,0,0,0,1|1,0,1]=4 514 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,1,0,0,0,1|1,0,1]=4 515 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,1,0,0,0,1|0,0,2]=4 516 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,0,0,1|0,0,2]=4 517 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,1,0,0,0,1|0,0,2]=4 518 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,0,0,1|0,0,2]=4 519 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [0,1,0,0,0,1|1,0,1]=4 520 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [0,1,0,0,0,1|0,0,2]=4 521 B9R1.2 NCC1=CC(=O)N=CN1 MC112983 [0,1,0,0,0,1|1,0,1]=4 522 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,0,0,1|0,0,2]=4 523 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,0,0,1|0,0,2]=4 524 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,0,0,1|0,0,2]=4 525 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,0,0,1|1,0,1]=4 526 B9R1.3 CC1=C(C)C(=O)NC=C1 MC431551 [0,1,0,0,0,1|0,0,2]=4 527 B9R1.3 CC1=C(O)C(=O)C=CO1 MC21095 [0,1,0,0,0,1|0,0,2]=4 528 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,0,0,1|1,0,1]=4 529 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.3 CN1CCNC(=O)C1=O MC111667 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.34 CC1=CC(=O)C=C(O)O1 CS16601 [0,1,0,0,0,1|0,0,2]=4 532 B9R1.34 CC1=CC(=O)NC(=O)N1 CS15364 [0,1,0,0,0,1|1,0,1]=4 533 B9R1.34 CC1=CC(=O)NC(N)=N1 CS14276 [0,1,0,0,0,1|1,0,1]=4 534 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,0,0,1|0,0,2]=4 535 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,0,0,1|0,0,2]=4 536 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,0,0,1|0,0,2]=4 537 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,0,0,1|0,0,2]=4 538 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,2,0,0,0,0|0,0,0]=2 539 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS12585 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,2,0,0,0,0|1,0,1]=4 549 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 CS13573 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,2,0,0,0,0|1,0,1]=4 553 B9R1.132 CC1=NSC(C=O)=C1Br MC106268 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.37 CC1=C(C)C(=O)OC1=O CS21049 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.38 O=C1CC(F)(F)C(=O)O1 MC112613 [0,2,0,0,0,0|2,0,0]=4 558 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,1,1,0,0|0,0,0]=2 559 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,1,1,0,0|1,0,0]=3 560 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,1,1,0,0|1,0,0]=3 561 B7R1.3 O=C1CCCCN1 MC429045 [0,0,1,1,0,0|1,0,1]=4 562 B7R1.3 O=C1CCCCO1 CS11208 [0,0,1,1,0,0|1,0,1]=4 563 B7R1.3 O=C1CCCNC1 CS14768 [0,0,1,1,0,0|1,0,1]=4 564 B7R1.3 O=C1CCCNC1 CS17767 [0,0,1,1,0,0|1,0,1]=4 565 B7R1.3 O=C1CCCOC1 MC31097 [0,0,1,1,0,0|1,0,1]=4 566 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,1,1,0,0|2,0,0]=4 567 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,1,1,0,0|2,0,0]=4 568 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,1,1,0,0|1,0,1]=4 569 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,1,1,0,0|2,0,0]=4 570 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,1,1,0,0|2,0,0]=4 571 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,1,1,0,0|2,0,0]=4 572 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,0,0,1,0,1|2,0,0]=4 573 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,1,0,1|0,0,2]=4 574 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,1,0,1,0|2,0,0]=4 575 B5R0.5 CC(C)C(=O)Cl MC40490 [0,0,1,0,1,0|1,0,1]=4 576 B5R0.5 CC(C)C(N)=O CS21696 [0,0,1,0,1,0|1,0,1]=4 577 B5R0.5 CN(C)C(=O)Cl MC428263 [0,0,1,0,1,0|2,0,0]=4 578 B5R1.2 O=C1CCC1 MC10479 [1,0,0,0,1,0|0,0,1]=3 579 B5R1.2 O=C1CCN1 MC31231 [1,0,0,0,1,0|1,0,0]=3 580 B5R1.2 O=C1CNC1 MC444241 [1,0,0,0,1,0|1,0,1]=4 581 B5R1.2 O=C1COC1 CS22391 [1,0,0,0,1,0|1,0,1]=4 582 B5R1.2 O=C1CSC1 CS13345 [1,0,0,0,1,0|1,0,1]=4 583 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,0,0,2|1,0,1]=4 584 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,0,0,2|1,0,1]=4 585 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,0,0,2|1,0,1]=4