0 B7R0.3 C#CCNC(=O)CBr B2431 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CCOC(=O)CI P7846 [0,0,0,0,0,0|1,1,0]=2 2 B7R0.3 CCCOC(=O)OC M40388 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.3 CNCCC(=O)OC M40412 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 COC(=O)CCCBr M39189 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 COC(=O)CCCCl M60517 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 COC(=O)CCCN M32376 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 COC(=O)CNC=O M40228 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 C#CCC(=O)OC M41116 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.1 C=CC[C@@H](N)CO A41325 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|1,1,1]=4 14 B6R0.1 CNC(=O)CC#N C40181 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 COC(=O)CC#N M68915 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|2,1,0]=4 21 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 COC(=O)\C=C/I I2748 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 COC(=O)\C=C\I M40173 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 C=CCCC(=O)O P37823 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 C=CCCC(N)=O P5022 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 C=C\C=C/C(=O)O P41118 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.1 C#CCCC(=O)CCO H6251 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.9 COC(=O)CCC(=O)O M37827 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.9 COC(=O)NCC(=O)O M40229 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|1,1,1]=4 55 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|1,1,1]=4 57 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|1,1,1]=4 59 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|1,1,1]=4 62 B8R1.2 CCC1=NC=CN=C1 E43180 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,1,0]=4 74 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.5 CC1=CC=NNC1=O M5790 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.5 CN1C=CC=CC1=O M62252 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.50 CC1C(=O)CCC1=O M25293 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.50 CN1C(=O)CSC1=O M40160 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.50 CN1C(=O)CSC1=S M29859 [0,0,0,1,0,0|2,1,0]=4 88 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|0,0,2]=4 89 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,1]=4 91 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.3 C=CC(=O)NC M37664 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,0]=3 97 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,1,0]=4 100 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,1,0]=4 101 B5R0.3 O=C(CCl)CCl D4849 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,1]=3 103 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,1,1]=4 104 B7R0.2 COC(=O)CC(=O)Cl M40174 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.2 COC(=O)CC(=O)O M37882 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.2 COC(=O)CC(=O)[O-] P67199 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.5 CC(C)C(=O)CC#N M43378 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|1,1,0]=4 109 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|0,1,1]=4 110 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|0,1,1]=4 111 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|0,1,1]=4 112 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|0,1,1]=4 113 B7R0.7 CCNC(=O)NCC D40424 [1,1,0,0,0,0|1,0,1]=4 114 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|0,1,1]=4 115 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|0,1,1]=4 116 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|0,1,1]=4 117 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|0,1,1]=4 118 B7R0.7 CCOC(=O)CNN E67459 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|0,1,1]=4 120 B7R0.7 CCOC(=O)OCCl C38646 [1,1,0,0,0,0|1,1,0]=4 121 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.7 COCC(=O)COC D40391 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.7 O=C(CCCl)CCCl D67616 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|1,0,1]=4 126 B7R0.6 C=C(Cl)CSC(C)=O C6230 [1,1,0,0,0,0|0,0,0]=2 127 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.1 C=CCCCCCBr B43831 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.1 C=CCCCCNC M43901 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.1 C=CCCCCNC M46504 [1,1,0,0,0,0|1,0,1]=4 132 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,2,0,0,0,0|0,1,0]=3 133 B9R0.18 C=CCOC(=O)NCCN A43472 [0,2,0,0,0,0|0,1,0]=3 134 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|1,0,0]=3 135 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,2,0,0,0,0|2,0,0]=4 137 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,2,0,0,0,0|2,0,0]=4 138 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.1 CNC1=NC=CS1 M67793 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.1 COC1=NC=CS1 M2608 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.1 NCC1=NC=CS1 A11223 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.1 NCC1=NC=CS1 T11224 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.1 NCC1=NC=CS1 T24256 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.1 OCC1=NC=CS1 H3028 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 149 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.2 NC1=NCC(=O)S1 A64749 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,2]=4 167 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,1,1]=4 169 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|0,0,2]=4 171 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.15 CCC1=CC=NNC1=O E43195 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.69 CN1CC(=O)NCC1=O M15489 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.11 COC(=O)C1=CC=CS1 M42941 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,1,0,1,0,0|1,1,0]=4 184 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,1,0,1,0,0|1,1,0]=4 185 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,1,0,1,0,0|1,1,0]=4 189 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,1,0,1,0,0|2,0,0]=4 190 B9R2.39 O=C1NC2C=CC1C2 A0848 [0,0,0,2,0,0|1,0,0]=3 191 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [0,0,0,2,0,0|1,0,0]=3 192 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [0,0,0,2,0,0|1,0,0]=3