0 B7R0.7 CC#CC(=O)OCC E36835 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 CCNC(=O)NCC D40424 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CCOC(=O)CCBr E39188 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 CCOC(=O)CCI E41273 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.7 CCOC(=O)CCO E36682 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CCOC(=O)CNC S69399 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.7 CCOC(=O)CNN E67459 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.7 CCOC(=O)CSC E40386 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.7 CCOC(=O)OCCl C38646 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.7 CCOC(=O)\C=C\I E41181 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.7 CCOC(C)=NC#N E41191 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.7 COCC(=O)COC D40391 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 C#CCC(=O)OC M41116 [1,0,0,0,0,0|0,0,3]=4 14 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|0,0,0]=1 17 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 COC(=O)C#CBr M38132 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 COC(=O)CC#N M68915 [1,0,0,0,0,0|1,0,2]=4 26 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 COC(=O)\C=C/I I2748 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 COC(=O)\C=C\I M40173 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 C\C=C\C=C\CO H69109 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|0,0,3]=4 37 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,0,0,0,0|0,0,1]=2 43 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.1 CCOCC(=O)OCC E41554 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|0,0,1]=2 50 B8R0.3 CCOC(=O)C(=O)NN E36826 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,1,0,0,0,0|1,0,2]=4 59 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.3 CCOC(=O)\C(Cl)=N\O E2979 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.5 CC(C)OC(=O)OCI K62369 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,1,0,0,0,0|1,0,1]=3 66 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.5 CCOC(=O)CC(N)=S E6802 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.5 COCC(=O)OC(C)C P65707 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.30 CCOP(=O)([O-])OCC E54072 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.8 CCCC1=CC=CS1 P43744 [0,0,0,1,0,0|1,1,1]=4 90 B8R1.8 CCOC1=NC=CS1 E41172 [0,0,0,1,0,0|1,1,1]=4 91 B8R1.11 CCN1N=CC=C1N E10472 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.18 CC1=CC(C)=NN1C T41425 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.18 CC1=CC(N)=NN1C D41245 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.37 CCOC(=O)C1CC1 E41463 [0,0,0,1,0,0|0,0,2]=3 110 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,0,0,1,0,0|1,0,1]=3 111 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 CC#CC(=O)O B67945 [2,0,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|1,1,0]=4 116 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 O=C(O)\C=C\Br B9431 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.3 C#CC(=O)OC M40108 [2,0,0,0,0,0|0,0,2]=4 122 B5R0.3 C=CC(=O)NC M37664 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,0,1]=4 129 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,1]=3 131 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.2 COC(=O)C=C(C)C M41461 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|0,0,2]=4 137 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|0,0,2]=4 139 B7R0.2 COC(=O)\C=C(\C)N M68908 [1,1,0,0,0,0|0,0,0]=2 140 B7R0.3 C#CCNC(=O)C=C P43133 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.3 C=CC(=O)NCCN A41315 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.3 CCCOC(=O)OC M40388 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.3 CNCCC(=O)OC M40412 [1,1,0,0,0,0|0,0,2]=4 144 B7R0.3 COC(=O)C=CCBr M37461 [1,1,0,0,0,0|0,0,0]=2 145 B7R0.3 COC(=O)CCCBr M39189 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.3 COC(=O)CCCCl M60517 [1,1,0,0,0,0|0,0,2]=4 147 B7R0.3 COC(=O)CCCN M32376 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.3 COC(=O)\C=C\CBr M41176 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.3 COC=CC(=O)OC M39186 [1,1,0,0,0,0|0,0,0]=2 151 B7R0.3 CO\C=C\C(=O)OC M41228 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|0,0,0]=2 155 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.5 CCOC(=O)C(N)=S E15645 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|0,0,1]=3 158 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|0,0,1]=3 159 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|0,0,1]=3 161 B7R0.10 C=C(CBr)C(=O)OC M36843 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.10 C=C(CO)C(=O)OC M7022 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|0,0,1]=3 164 B7R0.10 CCC(=O)N(C)OC M40411 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|0,0,2]=4 166 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|0,0,2]=4 167 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.10 COC(=O)C(=O)CBr M2726 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|0,0,0]=2 177 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|0,0,0]=2 178 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|0,0,0]=2 183 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|0,0,1]=3 186 B9R0.34 CCOC(=O)CC(=O)CCl E64939 [0,2,0,0,0,0|0,0,1]=3 187 B9R0.34 CCOC(=O)CC(=O)NN E40373 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.34 CCOC(=O)NC(=O)CCl E62948 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|0,0,1]=3 192 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|0,0,1]=3 195 B9R0.35 CCOC(=O)C(=O)[CH-]C#N P41417 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.35 CCOC(=O)C(=O)[CH-]C#N S43425 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|0,0,1]=3 198 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|0,0,1]=3 199 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|0,0,1]=3 200 B9R0.48 CCOC(=O)\C=C\N(C)C E16630 [0,2,0,0,0,0|0,0,0]=2 201 B9R0.48 CCOC(=O)\C=C\N(C)C E68121 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,2,0,0,0,0|0,0,1]=3 203 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O E67659 [0,2,0,0,0,0|0,0,1]=3 204 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O E69127 [0,2,0,0,0,0|0,0,1]=3 205 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O E38383 [0,2,0,0,0,0|0,0,1]=3 206 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O E38566 [0,2,0,0,0,0|0,0,2]=4 207 B9R0.6 CCOC(=O)[C@H](N)C(C)C E46519 [0,2,0,0,0,0|0,0,2]=4 208 B9R0.23 CC(C)OC(=O)C(=O)CBr P65399 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.37 CCOC(=O)C(C=O)C=O E8184 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.37 CCOC(=O)[C@@H](C#N)CC E43773 [0,2,0,0,0,0|0,0,2]=4 211 B9R0.37 CCOC(=O)\C(C#N)=N\O E69423 [0,2,0,0,0,0|1,0,1]=4 212 B9R0.44 C=CCC(=O)OC(C)(C)C B47084 [0,2,0,0,0,0|0,0,2]=4 213 B9R0.44 CCNC(=O)OC(C)(C)C B43922 [0,2,0,0,0,0|1,0,1]=4 214 B9R0.44 CCOC(=O)CC(C)(C)N E38783 [0,2,0,0,0,0|0,0,2]=4 215 B9R0.44 CCOC(=O)CC(C)(C)O E43891 [0,2,0,0,0,0|0,0,2]=4 216 B9R0.44 CCOC(=O)C[Si](C)(C)C E43949 [0,2,0,0,0,0|0,1,1]=4 217 B9R0.44 CNCC(=O)OC(C)(C)C B43929 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.44 CNNC(=O)OC(C)(C)C M37037 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.44 CONC(=O)OC(C)(C)C M38869 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.53 CC(C)=CC(=O)C=C(C)C D69148 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.53 CC(C)OC(=O)OC(C)C D38665 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl C39199 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.53 CC(Cl)OC(=O)OC(C)Cl B41230 [0,2,0,0,0,0|1,0,1]=4 224 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,1,0,0|0,1,1]=4 225 B7R1.1 COC1=CSC=C1 M41124 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,0]=2 227 B7R1.2 CC1=CC(=O)CO1 M41117 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.2 CC1=CC(=O)NN1 M12010 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.2 CC1=CC(=O)NO1 M68379 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.2 CC1=CC(C)=NO1 D39182 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.2 CC1=NOC(N)=C1 A37936 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.2 CN1C=CC(=O)N1 M40182 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.3 O=C1C=CCCN1 D67780 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.3 O=C1C=CCOC1 P26982 [1,0,0,1,0,0|1,0,0]=3 244 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,1]=4 245 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,2]=4 253 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,1]=3 255 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,1]=4 258 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|0,0,2]=4 260 B9R1.7 CCOC1=NC(Br)=CS1 B2261 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.7 CCOC1=NNC(Br)=C1 B15683 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.12 CCOCC1=CC=CO1 E38338 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.27 CCN1C(=O)NN=C1C E41250 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.69 CC1=C(C)NC(=O)C=N1 D43209 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.69 CC1=CC(=O)NN=C1C D15899 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,1,0,1,0,0|0,0,2]=4 274 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.74 CCOC(=O)C1(Br)CC1 E26278 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.74 CCOC(=O)C1(C)CC1 E43807 [0,1,0,1,0,0|0,0,2]=4 280 B9R1.74 CCOC(=O)C1(N)CC1 E67975 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.74 CCOC(=O)C1(O)CC1 E19212 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.41 CC(=O)N1CCNC1=O A41200 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,1,0,0|0,0,1]=3 287 B9R1.137 CC(=O)CC(=O)C1CC1 C6252 [0,1,0,1,0,0|1,0,1]=4 288 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|0,0,2]=4 289 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,1]=4