0 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1C(=O)NC(=O)N1 BC220746 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 C1CC(=O)OC1=O BC676904 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 CC1=NNC(=O)C1 BC649952 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 Cc1cc(n[nH]1)C BC227849 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 Cc1cc(no1)N BC200452 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 Cc1ccc([nH]1)C BC203703 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 Cc1cnc(s1)Br BC675562 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.2 Cc1csc(n1)Br BC221845 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 Cn1cc(cn1)Br BC679659 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 Cn1cc(cn1)N BC262633 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 Cn1cc(cn1)N BC265082 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 Cn1cc(nc1)I BC220440 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 c1c(csc1Br)Br BC685091 [0,0,0,0,0,0|2,1,1]=4 16 B6R1.2 C1C(=O)O[Pt]O1 BC679461 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 C1C=CC(=O)O1 BC201413 [1,0,0,0,0,0|1,0,0]=2 18 B6R1.2 C1CC(=O)C=C1 BC652225 [1,0,0,0,0,0|1,0,0]=2 19 B6R1.2 C1CC(=O)NC1 BC225697 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 C1CNCC1=O BC208274 [1,0,0,0,0,0|1,0,2]=4 21 B6R1.2 C1COCC1=O BC244549 [1,0,0,0,0,0|0,0,2]=3 22 B6R1.2 CC1CCCO1 BC205640 [1,0,0,0,0,0|0,0,3]=4 23 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,0,0|2,0,1]=4 24 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 Cc1c[nH]nn1 BC655515 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,0,0|1,0,0]=2 28 B6R1.2 Cc1nc[nH]n1 BC206611 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,0,0|2,0,1]=4 30 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 c1c[nH]nc1Br BC221788 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 c1c[nH]nc1N BC207676 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,0,0|1,0,1]=3 34 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,0,0|1,1,1]=4 35 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,0,0|1,1,1]=4 36 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,0,0|1,1,1]=4 37 B6R1.2 c1coc(n1)N BC227830 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,0,0|1,0,1]=3 39 B6R1.2 c1conc1N BC215684 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,0,0|1,1,1]=4 41 B6R1.2 c1cscc1N BC677154 [1,0,0,0,0,0|1,1,1]=4 42 B6R1.2 c1cscc1N BC686803 [1,0,0,0,0,0|1,1,1]=4 43 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.1 Cc1csc(n1)C=O BC203023 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 Cc1ncc(s1)C=O BC650857 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.1 c1c(coc1C=O)Br BC645867 [0,1,0,0,0,0|1,0,2]=4 48 B8R1.1 c1c(csc1C=O)Br BC678555 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.18 CC1=CC(=O)OC1O BC213808 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.18 C[C@H]1C(=O)OC(=O)N1 BC677969 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.18 Cc1c(oc(=O)o1)C BC207654 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.18 Cn1c(=O)cc(s1)Cl BC221924 [0,1,0,0,0,0|2,1,0]=4 53 B8R1.50 C1CC(=O)N(C1=O)I BC220192 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.50 C1CC(=O)N(C1=O)O BC209532 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.50 CC1=C(C(=O)CO1)O BC207037 [0,1,0,0,0,0|0,0,0]=1 56 B6R0.1 CCOC(=O)CBr BC206664 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.1 CCOC(=O)CN BC676695 [0,0,1,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)NO BC202244 [0,0,1,0,0,0|2,0,1]=4 59 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,1,0,0,0|2,0,0]=3 60 B6R0.2 CC(=O)NC(=N)N BC652251 [0,0,1,0,0,0|3,0,0]=4 61 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,1,0,0,0|2,0,1]=4 62 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,0,1,0,0,0|0,0,1]=2 63 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,0,1,0,0,0|0,0,1]=2 64 B6R0.4 C=CCCC(=O)O BC678220 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.4 C=CCOC(=O)Cl BC676725 [0,0,1,0,0,0|3,0,0]=4 66 B6R0.4 CC(=O)OCC=C BC219433 [0,0,1,0,0,0|2,0,0]=3 67 B6R0.4 CC(=O)OCCBr BC677702 [0,0,1,0,0,0|2,0,1]=4 68 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [0,0,0,0,0,1|2,0,1]=4 69 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,0,0,1|2,0,1]=4 71 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,0,0,1|1,0,2]=4 72 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,0,0,1|2,0,1]=4 73 B8R1.3 Cc1ccc(cc1)I BC208320 [0,0,0,0,0,1|2,0,1]=4 74 B8R1.3 Cc1ccc(cn1)Br BC200848 [0,0,0,0,0,1|2,0,1]=4 75 B8R1.3 Cc1ccc(cn1)F BC219187 [0,0,0,0,0,1|2,0,1]=4 76 B8R1.3 Cc1ccc(cn1)I BC228957 [0,0,0,0,0,1|2,0,1]=4 77 B8R1.3 Cc1ccc(cn1)N BC202216 [0,0,0,0,0,1|2,0,1]=4 78 B8R1.3 Cc1ccc(cn1)O BC213724 [0,0,0,0,0,1|1,0,2]=4 79 B8R1.3 Cc1ccc(nc1)C BC220412 [0,0,0,0,0,1|2,0,1]=4 80 B8R1.3 Cc1ccc(nc1)Cl BC201252 [0,0,0,0,0,1|2,0,1]=4 81 B8R1.3 Cc1ccc(nc1)F BC219184 [0,0,0,0,0,1|2,0,1]=4 82 B8R1.3 Cc1ccc(nc1)N BC203509 [0,0,0,0,0,1|2,0,1]=4 83 B8R1.3 Cc1cnc(cn1)C BC651592 [0,0,0,0,0,1|2,0,1]=4 84 B8R1.3 Cc1cnc(nc1)Cl BC221851 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.3 Cc1ncc(cn1)N BC228078 [0,0,0,0,0,1|2,0,1]=4 86 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,0,0,0,0,1|2,0,0]=3 88 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,0,0,0,1|2,0,1]=4 89 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,0,0,0,1|2,0,1]=4 90 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,0,0,0,1|1,0,2]=4 91 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,0,0,0,0,1|2,0,1]=4 92 B8R1.4 Cc1cc(cnc1)N BC208421 [0,0,0,0,0,1|2,0,1]=4 93 B8R1.4 Cc1cc(cnc1)O BC201216 [0,0,0,0,0,1|1,0,2]=4 94 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,0,0,0,0,1|2,0,1]=4 95 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,0,0,0,1|1,0,2]=4 97 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,0,0,0,0,1|2,0,1]=4 98 B8R1.4 Cc1ccnc(c1)F BC219183 [0,0,0,0,0,1|2,0,1]=4 99 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,0,0,0,0,1|3,0,0]=4 100 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,0,0,0,0,1|2,0,1]=4 101 B5R0.1 CC(=CCBr)C BC211224 [1,0,1,0,0,0|1,0,1]=4 102 B5R0.1 CC(=O)\C=N/O BC671081 [1,0,1,0,0,0|1,0,0]=3 103 B5R0.1 CCOC(=O)Cl BC222115 [1,0,1,0,0,0|1,0,1]=4 104 B5R0.1 C\C=C\C(=O)O BC206359 [1,0,1,0,0,0|0,0,0]=2 105 B5R0.2 C(CC=O)C=O BC222879 [1,0,1,0,0,0|2,0,0]=4 106 B5R0.3 C(C(=O)CO)O BC200545 [1,0,1,0,0,0|1,0,1]=4 107 B5R0.3 COC(=O)C=C BC222749 [1,0,1,0,0,0|1,0,0]=3 108 B5R0.3 COC(=O)C=O BC202567 [1,0,1,0,0,0|1,0,0]=3 109 B5R0.3 COC(=O)CN BC215108 [1,0,1,0,0,0|2,0,0]=4 110 B5R1.1 C1C=CCN1 BC204537 [2,0,0,0,0,0|1,0,1]=4 111 B5R1.1 C1C=CCN1 BC678848 [2,0,0,0,0,0|1,0,1]=4 112 B5R1.1 C1COC=C1 BC209508 [2,0,0,0,0,0|0,0,1]=3 113 B7R0.2 COC(=O)CC(=O)Cl BC202267 [0,1,1,0,0,0|1,0,1]=4 114 B7R0.2 COC(=O)NC(=O)N BC222355 [0,1,1,0,0,0|2,0,0]=4 115 B7R0.3 COC(=O)\C=C\CBr BC203932 [0,1,1,0,0,0|2,0,0]=4 116 B7R0.5 CCOC(=O)[C@H](C)O BC678545 [0,1,1,0,0,0|1,0,1]=4 117 B7R0.7 CCOC(=O)CC=O BC222385 [0,1,1,0,0,0|1,0,1]=4 118 B7R0.10 COC(=O)C(=O)CBr BC208895 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,1,1,0,0,0|2,0,0]=4 121 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,1,1,0,0,0|1,0,1]=4 122 B7R1.1 CCc1cccs1 BC210545 [1,1,0,0,0,0|0,1,1]=4 123 B7R1.1 c1c[nH]nc1C=O BC207627 [1,1,0,0,0,0|2,0,0]=4 124 B7R1.1 c1c[nH]nc1CO BC657829 [1,1,0,0,0,0|2,0,0]=4 125 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,1,0,0,0,0|2,0,0]=4 126 B7R1.1 c1cc([nH]c1)CN BC620340 [1,1,0,0,0,0|1,0,1]=4 127 B7R1.1 c1cc(sc1)C=O BC225721 [1,1,0,0,0,0|2,0,0]=4 128 B7R1.1 c1cnsc1C=O BC677321 [1,1,0,0,0,0|2,0,0]=4 129 B7R1.1 c1coc(n1)CCl BC670136 [1,1,0,0,0,0|1,0,1]=4 130 B7R1.1 c1conc1C#N BC221926 [1,1,0,0,0,0|2,0,0]=4 131 B7R1.1 c1conc1C=O BC201897 [1,1,0,0,0,0|1,0,0]=3 132 B7R1.1 c1cscc1C=O BC676777 [1,1,0,0,0,0|0,1,1]=4 133 B7R1.1 c1cscc1CN BC655305 [1,1,0,0,0,0|2,0,0]=4 134 B7R1.4 Cc1cscc1C BC653364 [1,1,0,0,0,0|2,0,0]=4 135 B7R1.4 Cn1c(=O)ccs1 BC200617 [1,1,0,0,0,0|1,1,0]=4 136 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,1,0,0,0,1|1,0,1]=4 137 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,1,0,0,0,1|1,0,1]=4 138 B9R1.1 Cc1ncc(cn1)C=O BC228073 [0,1,0,0,0,1|1,0,1]=4 139 B9R1.69 C1=C(C=NC(=O)C1Cl)Br BC219130 [0,1,0,0,0,1|2,0,0]=4 140 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 BC226865 [0,1,0,0,0,1|1,0,1]=4 141 B9R1.34 Cc1cc(cc(=O)o1)O BC678859 [0,1,0,0,0,1|0,0,2]=4 142 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,2,0,0,0,0|1,0,1]=4 143 B9R1.35 Cc1cc(n[nH]1)[N+](=O)[O-] BC262373 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.35 Cc1cc(no1)C(=O)Cl BC684298 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.35 Cc1nc(co1)C(=O)O BC203608 [0,2,0,0,0,0|1,0,1]=4 148 B9R1.37 CC1=C(C(=O)OC1=O)C BC220848 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.37 CC1C(=O)C(=C(O1)C)O BC207038 [0,2,0,0,0,0|0,0,0]=2 150 B7R1.3 C1C=COCC1=O BC245013 [0,0,1,1,0,0|0,0,2]=4 151 B7R1.3 C1COC(=O)CO1 BC683885 [0,0,1,1,0,0|1,0,1]=4 152 B7R1.18 C1COC1C(=O)O BC653175 [0,0,1,1,0,0|1,0,1]=4 153 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,0,1,0,1,0|2,0,0]=4 154 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,1,0,1,0|2,0,0]=4 155 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,1,0,1,0|1,0,0]=3 156 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,0,1,0,1,0|1,0,1]=4 157 B5R0.5 CC(=O)N(C)C BC204203 [0,0,1,0,1,0|2,0,0]=4 158 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,1,0,1,0|1,0,1]=4 159 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,0,1,0,1,0|1,0,1]=4 160 B5R1.2 C1C(=O)CN1 BC653134 [1,0,0,0,1,0|1,0,1]=4 161 B5R1.2 C1C(=O)CO1 BC254016 [1,0,0,0,1,0|0,0,1]=3 162 B5R1.2 C1C(=O)CS1 BC669058 [1,0,0,0,1,0|0,1,1]=4 163 B5R1.2 C1CC(=O)C1 BC209625 [1,0,0,0,1,0|0,0,2]=4 164 B9R1.49 C1=CC(=O)O[Fe]OC1=O BC220345 [0,0,0,0,0,2|2,0,0]=4