0 B7R1.3 BrC1=CC=CN=C1 SBB003998 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 BrC1=CC=NC=C1 SBB003600 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=NC=CC=C1 SBB003999 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 BrC1=NC=NC=C1 SBB054515 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,0,0,0|1,0,3]=4 6 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,0,0,0|1,0,3]=4 7 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,0,0,0|1,0,3]=4 8 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.3 ClC1=CC=CC=C1 SBB040899 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.3 ClC1=CC=CN=N1 SBB054542 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 ClC1=NC=CC=C1 SBB079180 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 ClC1=NC=NC=C1 SBB054514 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 FC1=CC=CN=C1 SBB054315 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 FC1=CC=NC=C1 SBB054247 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 FC1=NC=CC=C1 SBB062911 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 IC1=CC=CN=C1 SBB054246 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 IC1=CC=NC=C1 SBB009104 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.3 IC1=NC=CC=C1 SBB054364 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,0,0,0|1,0,3]=4 22 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.3 NC1=CC=CC=N1 SBB004394 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 NC1=CC=CN=N1 SBB051973 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.3 NC1=CC=NC=C1 SBB004393 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 NC1=CC=NC=N1 SBB028163 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.3 NC1=CN=CC=C1 SBB004395 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,0,0,0|1,0,3]=4 29 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 O=C1C=CC=NN1 SBB005360 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,0,0,0|0,0,0]=0 36 B7R1.3 O=C1C=CNC=C1 SBB005800 [0,0,0,0,0,0|1,0,2]=3 37 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,0,0,0|0,0,2]=2 38 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,0,0,0|1,0,1]=2 39 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,0,0,0|1,0,2]=3 40 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,0,0,0|1,0,2]=3 41 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,0,0,0|2,0,1]=3 42 B7R1.3 O=C1N=CC=CN1 SBB004216 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.3 OC1=CC=CC=N1 SBB004392 [0,0,0,0,0,0|1,0,3]=4 44 B7R1.3 OC1=CC=NC=C1 SBB000030 [0,0,0,0,0,0|1,0,3]=4 45 B7R1.3 OC1=CN=CC=C1 SBB004391 [0,0,0,0,0,0|1,0,3]=4 46 B7R1.3 OC1=NC=NC=C1 SBB055919 [0,0,0,0,0,0|2,0,2]=4 47 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,0,0,0|0,0,4]=4 48 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,0,0,0|1,0,3]=4 49 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,0,0,0|1,0,3]=4 50 B7R1.3 S=C1NCCCN1 SBB017542 [0,0,0,0,0,0|2,1,1]=4 51 B7R1.3 S=C1NCCCS1 SBB085843 [0,0,0,0,0,0|2,1,1]=4 52 B7R1.3 SC1=CC=CC=N1 SBB058593 [0,0,0,0,0,0|1,1,2]=4 53 B7R1.3 SC1=NCCCN1 SBB039536 [0,0,0,0,0,0|2,1,1]=4 54 B7R1.3 [NH+]1=CC=C(Cl)C=C1 SBB058933 [0,0,0,0,0,0|2,0,2]=4 55 B6R1.1 C1=CC=NC=C1 SBB055734 [1,0,0,0,0,0|1,0,2]=4 56 B6R1.1 C1=CN=NC=C1 SBB059541 [1,0,0,0,0,0|2,0,1]=4 57 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,0,0,0|1,0,0]=2 58 B6R1.1 C1CSCSC1 SBB061220 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 C#CC1=CCCCC1 SBB002648 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,0,0,0|0,0,2]=3 62 B8R1.2 N#CC1=CCCCC1 SBB007873 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,1,0,0,0,0|1,0,2]=4 64 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [0,1,0,0,0,0|1,0,2]=4 65 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,0,0,0|1,0,1]=3 66 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,1,0,0,0,0|1,0,2]=4 67 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,0,0,0|0,0,3]=4 68 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,0,0,0|0,0,3]=4 69 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [0,1,0,0,0,0|0,0,3]=4 73 B8R1.3 O=C1C=CC(Br)=CN1 SBB003806 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.3 O=C1C=CC(Cl)=CN1 SBB004227 [0,1,0,0,0,0|1,0,2]=4 75 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,0,0,0|0,0,3]=4 76 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,0,0,0|0,0,2]=3 77 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.4 CC1=CC(=O)NC=C1 SBB004346 [0,1,0,0,0,0|1,0,2]=4 79 B8R1.4 CC1=CC(=O)NN=C1 SBB055936 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.4 CC1=CC=CC(=O)N1 SBB004345 [0,1,0,0,0,0|1,0,2]=4 81 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,0,0,0|0,0,0]=1 82 B8R1.4 O=C1C=C(I)C=CN1 SBB054248 [0,1,0,0,0,0|1,0,2]=4 83 B8R1.4 O=C1C=CC=C(Cl)N1 SBB004228 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.4 O=C1C=CC=C(O)N1 SBB004090 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.4 O=C1C=CNC(=O)N1 SBB058492 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,0,0,0|0,0,1]=2 87 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.4 O=C1NCNC(=O)N1 SBB057113 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 S=C1CCSC(=S)N1 SBB039741 [0,1,0,0,0,0|2,1,0]=4 93 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,0,0,0|1,0,1]=3 94 B8R1.5 CC1=CC=CNC1=O SBB040120 [0,1,0,0,0,0|1,0,2]=4 95 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,0,0,0|0,0,2]=3 97 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.5 NC1=CC=CNC1=O SBB000038 [0,1,0,0,0,0|1,0,2]=4 100 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.5 O=C1C=CC=CN1O SBB004329 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,0,0,0|0,0,2]=3 103 B8R1.5 O=C1NC=CC=C1Br SBB088834 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.5 O=C1NCCNC1=O SBB079701 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.1 C#CC(=O)OCC SBB060344 [0,0,1,0,0,0|1,0,2]=4 107 B6R0.1 C=CC(=O)OCC SBB060348 [0,0,1,0,0,0|1,0,0]=2 108 B6R0.1 CCCC(=O)CC SBB061496 [0,0,1,0,0,0|0,0,2]=3 109 B6R0.1 CCCC(=O)NN SBB028175 [0,0,1,0,0,0|2,0,0]=3 110 B6R0.1 CCCC(=O)OC SBB061104 [0,0,1,0,0,0|1,0,1]=3 111 B6R0.1 CCC\C(N)=N/O SBB028173 [0,0,1,0,0,0|3,0,0]=4 112 B6R0.1 CCNC(=O)CBr SBB051008 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.1 CCNC(=O)CCl SBB008200 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.1 CCOC(=O)CBr SBB060995 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.1 CCOC(=O)CC SBB060312 [0,0,1,0,0,0|1,0,1]=3 116 B6R0.1 CCOC(=O)NN SBB028182 [0,0,1,0,0,0|3,0,0]=4 117 B6R0.1 COC(=O)CCBr SBB070709 [0,0,1,0,0,0|2,0,1]=4 118 B6R0.1 COC(=O)CCN SBB071679 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.1 COCC(=O)NN SBB021113 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,0,1,0,0,0|1,0,0]=2 121 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.4 C#CCCC(=O)O SBB009121 [0,0,1,0,0,0|1,0,2]=4 123 B6R0.4 C=CCCC(=O)O SBB061214 [0,0,1,0,0,0|1,0,1]=3 124 B6R0.4 C=CCCC(C)=O SBB009089 [0,0,1,0,0,0|0,0,2]=3 125 B6R0.4 CC(=O)NCCCl SBB008165 [0,0,1,0,0,0|2,0,1]=4 126 B6R0.4 CC(=O)NCCN SBB028176 [0,0,1,0,0,0|2,0,1]=4 127 B6R0.4 CC(=O)NCCO SBB007954 [0,0,1,0,0,0|2,0,1]=4 128 B6R0.4 CC(=O)OCCCl SBB058505 [0,0,1,0,0,0|2,0,1]=4 129 B6R0.4 CCC#CC(C)=O SBB009086 [0,0,1,0,0,0|0,0,2]=3 130 B6R0.4 CCCCC(=O)O SBB053585 [0,0,1,0,0,0|1,0,1]=3 131 B6R0.4 CCCCC(C)=O SBB061262 [0,0,1,0,0,0|0,0,2]=3 132 B6R0.4 CCCCC(N)=O SBB028169 [0,0,1,0,0,0|1,0,1]=3 133 B6R0.4 CCCNC(N)=O SBB028174 [0,0,1,0,0,0|2,0,1]=4 134 B6R0.4 CCCOC(C)=O SBB060305 [0,0,1,0,0,0|1,0,1]=3 135 B6R0.4 CCCOC(N)=O SBB000036 [0,0,1,0,0,0|2,0,1]=4 136 B6R0.4 CCOCC(=O)O SBB069120 [0,0,1,0,0,0|2,0,1]=4 137 B6R0.4 CCSCC(=O)O SBB047288 [0,0,1,0,0,0|2,0,1]=4 138 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,0,1,0,0,0|1,0,0]=2 139 B6R0.4 CNCCC(N)=O SBB080375 [0,0,1,0,0,0|2,0,1]=4 140 B6R0.4 NCCCC(=O)O SBB028179 [0,0,1,0,0,0|2,0,0]=3 141 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,0,1,0,0,0|2,0,0]=3 142 B6R0.4 O=C(O)CCCBr SBB065986 [0,0,1,0,0,0|2,0,0]=3 143 B6R0.6 C#CCNCC=C SBB301262 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.6 C=CCCCCBr SBB054740 [0,0,1,0,0,0|1,0,1]=3 145 B6R0.6 C=CCCCCC SBB059882 [0,0,1,0,0,0|1,0,1]=3 146 B6R0.6 C=CCNCC=C SBB060901 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.6 C=CCOCCO SBB060194 [0,0,1,0,0,0|1,0,2]=4 148 B6R0.6 C=CCSCC=C SBB060116 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.6 CCCCNC=O SBB060026 [0,0,1,0,0,0|1,0,1]=3 150 B6R0.6 CCCCOC=O SBB060300 [0,0,1,0,0,0|1,0,1]=3 151 B6R0.6 CCC\C=C\C=O SBB067097 [0,0,1,0,0,0|0,0,0]=1 152 B6R0.6 CC\C=C/CCO SBB007739 [0,0,1,0,0,0|2,0,1]=4 153 B6R1.2 BrC1=CC=CO1 SBB054415 [0,0,0,0,1,0|2,0,1]=4 154 B6R1.2 BrC1=CC=CS1 SBB003931 [0,0,0,0,1,0|2,0,1]=4 155 B6R1.2 BrC1=CC=NN1 SBB062821 [0,0,0,0,1,0|3,0,0]=4 156 B6R1.2 BrC1=CC=NS1 SBB027176 [0,0,0,0,1,0|3,0,0]=4 157 B6R1.2 BrC1=COC=C1 SBB004098 [0,0,0,0,1,0|2,0,1]=4 158 B6R1.2 BrC1=CSC=C1 SBB003930 [0,0,0,0,1,0|2,0,1]=4 159 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,0,1,0|1,0,2]=4 160 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,0,1,0|3,0,0]=4 161 B6R1.2 CC1=NNC=C1 SBB004404 [0,0,0,0,1,0|3,0,0]=4 162 B6R1.2 FC1=CC=CS1 SBB073288 [0,0,0,0,1,0|2,0,1]=4 163 B6R1.2 IC1=CC=CS1 SBB054409 [0,0,0,0,1,0|2,0,1]=4 164 B6R1.2 N1C=CC(I)=N1 SBB091657 [0,0,0,0,1,0|3,0,0]=4 165 B6R1.2 NC1=CCNN1 SBB023708 [0,0,0,0,1,0|3,0,0]=4 166 B6R1.2 NC1=NCCN1 SBB300496 [0,0,0,0,1,0|3,0,0]=4 167 B6R1.2 NC1=NCCS1 SBB004361 [0,0,0,0,1,0|3,0,0]=4 168 B6R1.2 NC1=NNC=C1 SBB004401 [0,0,0,0,1,0|3,0,0]=4 169 B6R1.2 NC1=NOC=C1 SBB051928 [0,0,0,0,1,0|3,0,0]=4 170 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,0,1,0|1,0,2]=4 171 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,0,1,0|2,0,1]=4 172 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,0,1,0|1,0,0]=2 173 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,0,1,0|0,0,1]=2 174 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,0,1,0|1,0,0]=2 175 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,0,1,0|2,0,0]=3 176 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,0,1,0|1,0,1]=3 177 B6R1.2 O=C1NC=CN1 SBB071638 [0,0,0,0,1,0|2,0,1]=4 178 B6R1.2 O=C1NC=NN1 SBB116064 [0,0,0,0,1,0|3,0,0]=4 179 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,0,1,0|2,0,1]=4 180 B6R1.2 S=C1NCCN1 SBB004362 [0,0,0,0,1,0|2,1,0]=4 181 B6R1.2 SC1=CC=CS1 SBB059094 [0,0,0,0,1,0|1,1,1]=4 182 B6R1.2 SC1=NCCS1 SBB004290 [0,0,0,0,1,0|2,1,0]=4 183 B8R1.22 O=C1C=CC=CC=C1 SBB057378 [0,0,0,0,0,1|0,0,3]=4 184 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,0,0,1|0,0,2]=3 185 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,0,0,1|0,0,2]=3 186 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,0,0,1|1,0,1]=3 187 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,0,0,1|2,0,1]=4 188 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,0,0,1|1,1,1]=4 189 B5R0.1 CC(C)=CCBr SBB061690 [1,0,1,0,0,0|2,0,0]=4 190 B5R0.1 CCCC(=O)Cl SBB040624 [1,0,1,0,0,0|1,0,0]=3 191 B5R0.1 CCOC(=O)Cl SBB040861 [1,0,1,0,0,0|2,0,0]=4 192 B5R0.1 COCC(=O)O SBB061376 [1,0,1,0,0,0|2,0,0]=4 193 B5R0.1 CSCC(=O)O SBB053570 [1,0,1,0,0,0|2,0,0]=4 194 B5R0.1 C\C(Cl)=C\CN SBB301293 [1,0,1,0,0,0|2,0,0]=4 195 B5R0.1 O=C(O)CCBr SBB065770 [1,0,1,0,0,0|2,0,0]=4 196 B5R0.1 O=C(O)CCCl SBB069140 [1,0,1,0,0,0|2,0,0]=4 197 B5R0.2 C=CCN=C=O SBB048102 [1,0,1,0,0,0|1,0,1]=4 198 B5R0.2 C=COCCCl SBB061485 [1,0,1,0,0,0|2,0,0]=4 199 B5R0.2 C=COCCN SBB072719 [1,0,1,0,0,0|2,0,0]=4 200 B5R0.3 CCC(=O)NN SBB021112 [1,0,1,0,0,0|2,0,0]=4 201 B5R0.3 CNC(=O)CBr SBB080576 [1,0,1,0,0,0|2,0,0]=4 202 B5R0.3 CNC(=O)CCl SBB049936 [1,0,1,0,0,0|2,0,0]=4 203 B5R0.3 COC(=O)CBr SBB056823 [1,0,1,0,0,0|2,0,0]=4 204 B5R0.3 COC(=O)CCl SBB040686 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.2 CC(C)CC(=O)NN SBB021012 [0,1,1,0,0,0|2,0,0]=4 206 B7R0.2 CC(O)CC(=O)NN SBB072890 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,1,1,0,0,0|1,0,1]=4 208 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,1,1,0,0,0|1,0,1]=4 209 B7R0.2 COC(=O)CC(C)=O SBB060889 [0,1,1,0,0,0|1,0,1]=4 210 B7R0.2 COC(=O)\C=C(\C)N SBB061677 [0,1,1,0,0,0|1,0,0]=3 211 B7R0.3 C#CCOC(=O)C=C SBB008981 [0,1,1,0,0,0|0,0,2]=4 212 B7R0.3 C=CC(O)CCCC SBB008778 [0,1,1,0,0,0|0,0,2]=4 213 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,1,0,0,0|1,0,1]=4 214 B7R0.3 CCCCC(=O)NN SBB028196 [0,1,1,0,0,0|2,0,0]=4 215 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,1,0,0,0|1,0,1]=4 216 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,1,0,0,0|1,0,1]=4 217 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,1,0,0,0|1,0,1]=4 218 B7R0.3 CCOCC(=O)NN SBB080108 [0,1,1,0,0,0|2,0,0]=4 219 B7R0.3 CNCCC(=O)NC SBB046578 [0,1,1,0,0,0|1,0,1]=4 220 B7R0.3 CNCCC(=O)NC SBB080433 [0,1,1,0,0,0|1,0,1]=4 221 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,1,1,0,0,0|1,0,0]=3 222 B7R0.3 N(N)C(=O)CCOC SBB059492 [0,1,1,0,0,0|2,0,0]=4 223 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.5 C=C(C)C(=O)OCC SBB061402 [0,1,1,0,0,0|1,0,0]=3 225 B7R0.5 CCCC(=O)N(C)C SBB008345 [0,1,1,0,0,0|1,0,1]=4 226 B7R0.5 CCOC(=O)C(C)Br SBB058608 [0,1,1,0,0,0|1,0,1]=4 227 B7R0.5 CCOC(=O)C(C)C SBB060711 [0,1,1,0,0,0|1,0,1]=4 228 B7R0.5 CCOC(=O)C(C)N SBB004040 [0,1,1,0,0,0|1,0,1]=4 229 B7R0.5 CCOC(=O)C(N)=S SBB056420 [0,1,1,0,0,0|2,0,0]=4 230 B7R0.7 C=C=CC(=O)OCC SBB054147 [0,1,1,0,0,0|1,0,0]=3 231 B7R0.7 CC#CC(=O)OCC SBB069554 [0,1,1,0,0,0|0,0,2]=4 232 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,1,0,0,0|0,0,2]=4 233 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,1,0,0,0|1,0,1]=4 234 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,1,0,0,0|1,0,1]=4 235 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,1,0,0,0|1,0,1]=4 236 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,1,0,0,0|1,0,1]=4 237 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,1,0,0,0|0,0,0]=2 238 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,1,0,0,0|1,0,1]=4 239 B7R0.10 CCC(Br)C(=O)OC SBB070737 [0,1,1,0,0,0|1,0,1]=4 240 B7R0.10 CNC(=O)C(=O)NC SBB007883 [0,1,1,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)C(=O)OC SBB040902 [0,1,1,0,0,0|2,0,0]=4 242 B7R0.4 C#CCCCC(=O)O SBB009090 [0,1,1,0,0,0|1,0,1]=4 243 B7R0.4 CCCCCC(=O)Cl SBB060011 [0,1,1,0,0,0|1,0,1]=4 244 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,1,0,0,0|1,0,1]=4 245 B7R0.4 CCCCCC(C)=O SBB061125 [0,1,1,0,0,0|0,0,2]=4 246 B7R0.4 CCCCCC(N)=O SBB061056 [0,1,1,0,0,0|1,0,1]=4 247 B7R0.4 CCCCOC(N)=O SBB060819 [0,1,1,0,0,0|1,0,1]=4 248 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,1,0,0,0|1,0,0]=3 249 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,1,0,0,0|1,0,1]=4 250 B7R0.4 COCCOC(C)=O SBB060999 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,1,1,0,0,0|1,0,1]=4 252 B7R0.4 NCCCCC(=O)O SBB061559 [0,1,1,0,0,0|1,0,1]=4 253 B7R0.4 O=C(O)CCCCBr SBB061343 [0,1,1,0,0,0|1,0,1]=4 254 B7R0.4 O=C(O)CCCCCl SBB061215 [0,1,1,0,0,0|1,0,1]=4 255 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,1,0,0,0|1,0,0]=3 256 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,1,1,0,0,0|1,0,1]=4 257 B7R0.6 CC(C)\C=C\C(=O)O SBB061966 [0,1,1,0,0,0|1,0,0]=3 258 B7R0.1 C=CCCCCCC SBB059884 [0,1,1,0,0,0|1,0,1]=4 259 B7R0.1 C=CCNCCC#N SBB116759 [0,1,1,0,0,0|1,0,1]=4 260 B7R0.1 C=CCSCCCC SBB058522 [0,1,1,0,0,0|1,0,1]=4 261 B7R0.1 CCCCCOC=O SBB060301 [0,1,1,0,0,0|0,0,2]=4 262 B7R0.1 C\C=C\CCCCC SBB059885 [0,1,1,0,0,0|1,0,1]=4 263 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [0,1,0,0,1,0|1,0,1]=4 264 B7R1.1 N#CC1=CCCC1 SBB007727 [0,1,0,0,1,0|1,0,0]=3 265 B7R1.1 O=CC1=CC=CN1 SBB004389 [0,1,0,0,1,0|1,0,1]=4 266 B7R1.1 O=CC1=CC=CN1 SBB004390 [0,1,0,0,1,0|1,0,1]=4 267 B7R1.1 O=CC1=CC=CO1 SBB004386 [0,1,0,0,1,0|1,0,1]=4 268 B7R1.1 O=CC1=CC=CS1 SBB004321 [0,1,0,0,1,0|1,0,1]=4 269 B7R1.1 O=CC1=CNC=C1 SBB052279 [0,1,0,0,1,0|1,0,1]=4 270 B7R1.1 O=CC1=COC=C1 SBB004385 [0,1,0,0,1,0|1,0,1]=4 271 B7R1.1 O=CC1=NNC=C1 SBB052310 [0,1,0,0,1,0|2,0,0]=4 272 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,0,1,0|0,0,2]=4 273 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,0,1,0|0,0,2]=4 274 B7R1.2 CC1=CC(=O)NO1 SBB055813 [0,1,0,0,1,0|2,0,0]=4 275 B7R1.2 N=C1/SCC(=O)N1 SBB004297 [0,1,0,0,1,0|2,0,0]=4 276 B7R1.2 NC1=CC(=O)NO1 SBB303237 [0,1,0,0,1,0|2,0,0]=4 277 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,1,0,0,1,0|2,0,0]=4 278 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,1,0,0,1,0|1,0,0]=3 279 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [0,1,0,0,1,0|1,0,1]=4 280 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,0,1,0|1,0,0]=3 281 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,0,1,0|1,0,0]=3 282 B7R1.2 O=C1CNC(=S)N1 SBB056249 [0,1,0,0,1,0|2,0,0]=4 283 B7R1.2 O=C1CNC(=S)S1 SBB035894 [0,1,0,0,1,0|2,0,0]=4 284 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,0,1,0|1,0,1]=4 285 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,1,0,0,1,0|2,0,0]=4 286 B7R1.2 O=C1CSC(=S)N1 SBB000066 [0,1,0,0,1,0|2,0,0]=4 287 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,1,0,0,1,0|2,0,0]=4 288 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,0,1,0|1,0,0]=3 289 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,1,0,0,1,0|2,0,0]=4 290 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,0,1,0|1,0,0]=3 291 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,0,1,0|1,0,0]=3 292 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,0,1,0|1,0,0]=3 293 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,0,1,0|1,0,0]=3 294 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,0,1,0|2,0,0]=4 295 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,0,1,0|1,0,0]=3 296 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [0,1,0,0,1,0|1,0,0]=3 297 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,1,0,0,1,0|1,0,1]=4 298 B9R1.5 CN1CCCCCC1=O SBB056535 [0,1,0,0,0,1|0,0,2]=4 299 B9R1.5 NC1CCCCNC1=O SBB056282 [0,1,0,0,0,1|0,0,2]=4 300 B9R1.5 N[C@H]1CSCCNC1=O SBB069999 [0,1,0,0,0,1|1,0,1]=4 301 B9R1.5 O=C1CCCCCN1Br SBB057855 [0,1,0,0,0,1|0,0,2]=4 302 B9R1.48 O=C1CCCCC(=O)C1 SBB056238 [0,1,0,0,0,1|0,0,1]=3 303 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,1,0,0,0,1|1,0,1]=4 304 B9R1.1 CC1=CCC(C#N)CC1 SBB008477 [0,2,0,0,0,0|1,0,1]=4 305 B9R1.1 CCC1CCC(=O)CC1 SBB059272 [0,2,0,0,0,0|0,0,2]=4 306 B9R1.1 O=C1CCC(CO)CC1 SBB054860 [0,2,0,0,0,0|0,0,2]=4 307 B9R1.2 CCN1CCCC(=O)C1 SBB056089 [0,2,0,0,0,0|1,0,1]=4 308 B9R1.2 O=C1CCCC(CO)C1 SBB054862 [0,2,0,0,0,0|0,0,2]=4 309 B9R1.6 OC(=O)C1=CCCCC1 SBB006589 [0,2,0,0,0,0|0,0,1]=3 310 B9R1.8 N#CCC1=CCCCC1 SBB007680 [0,2,0,0,0,0|1,0,1]=4 311 B9R1.8 NCCC1=CCCCC1 SBB058805 [0,2,0,0,0,0|1,0,1]=4 312 B9R1.15 CCC1CCCOC1=O SBB061552 [0,2,0,0,0,0|1,0,1]=4 313 B9R1.15 COC1CCCNC1=O SBB056098 [0,2,0,0,0,0|1,0,1]=4 314 B9R1.15 O=C1CCCCC1CO SBB054864 [0,2,0,0,0,0|0,0,2]=4 315 B9R1.10 O=C1CCC(F)(F)CC1 SBB085853 [0,2,0,0,0,0|0,0,2]=4 316 B9R1.69 CC1CNC(=O)NC1=O SBB058146 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.3 CC1CCCC(C)C1=O SBB059688 [0,2,0,0,0,0|0,0,2]=4 318 B9R1.3 O=C1CCCC(=O)C1Br SBB038106 [0,2,0,0,0,0|0,0,1]=3 319 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [0,2,0,0,0,0|1,0,1]=4 320 B9R1.34 CC1CC(=O)CC(=O)C1 SBB042020 [0,2,0,0,0,0|0,0,1]=3 321 B9R1.34 CC1CC(=O)NC(=O)N1 SBB007701 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.34 CC1CC(=O)NC(S)=N1 SBB059861 [0,2,0,0,0,0|2,0,0]=4 323 B7R1.22 NNC(=O)C1CC1 SBB021014 [0,0,1,1,0,0|2,0,0]=4 324 B7R1.22 O=C(CBr)C1CC1 SBB051680 [0,0,1,1,0,0|1,0,1]=4 325 B7R1.12 C[C@H]1C[C@H]1C(=O)O SBB069055 [0,0,1,1,0,0|1,0,1]=4 326 B7R1.18 NC(=O)C1CCC1 SBB111823 [0,0,1,1,0,0|1,0,1]=4 327 B7R1.18 O=C(Cl)C1CCC1 SBB007882 [0,0,1,1,0,0|1,0,1]=4 328 B7R1.18 O=C(O)C1CCC1 SBB053465 [0,0,1,1,0,0|1,0,1]=4 329 B7R1.18 O=C(O)C1CCN1 SBB053470 [0,0,1,1,0,0|2,0,0]=4 330 B7R1.18 O=C(O)[C@@H]1CCN1 SBB004365 [0,0,1,1,0,0|2,0,0]=4 331 B7R1.20 O=C(O)CC1CC1 SBB005442 [0,0,1,1,0,0|1,0,1]=4 332 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,1,1,0,0|1,0,1]=4 333 B9R2.39 O=C1CC2CCC1C2 SBB072159 [0,1,0,1,0,0|0,0,2]=4 334 B5R1.1 C1=CNN=C1 SBB059844 [1,0,0,0,1,0|2,0,0]=4 335 B5R1.1 C1=CSN=C1 SBB012883 [1,0,0,0,1,0|2,0,0]=4 336 B9R1.50 O=C1CCCCCCC1 SBB008888 [0,0,0,0,0,2|0,0,2]=4