0 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.4 CC(C)(O)CO Z600454414 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.4 CCC(C)(C)O Z104473496 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.4 CCS(=O)(=O)N Z54886646 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.4 CNS(=O)(=O)C Z54078255 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.4 CNS(=O)(=O)N Z56762361 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.4 COS(=O)(=O)C Z133684226 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.4 COS(=O)(=O)N Z300238034 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 CS(=O)(=O)NN Z283687760 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,0,0,0,0,0|0,1,1]=2 10 B4R0.1 C#CC(=O)O Z104493798 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C=CC(=O)O Z57127944 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=O)CN Z1262398366 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(O)CN Z104477092 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CC(O)CO Z106938868 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CCC(=O)N Z33546482 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 CCC(=O)O Z104474154 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC[C@@H](C)O Z1203162396 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 C[C@@H](O)CO Z1255486379 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 C[C@H](O)CN Z1203577967 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C[C@H](O)CO Z1255449993 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NC(=O)CF Z104475768 [1,0,0,0,0,0|2,1,0]=4 22 B4R0.1 NC(=O)CI Z1080376832 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 NC(=O)CO Z424788508 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 NCC(=O)N Z1262254285 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 NCC(=O)O Z955123660 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 O=C(O)CBr Z104473018 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.1 O=C(O)CO Z104473274 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,0,0,0,0,0|1,1,1]=4 29 B4R0.3 CS(=O)(=O)C Z417007936 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.3 CS(=O)(=O)F Z361886230 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.3 CS(=O)(=O)N Z54080282 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.3 CS(=O)(=O)O Z281776238 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.3 O=P(O)(O)F Z1255360409 [1,0,0,0,0,0|1,1,1]=4 34 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,1,0,0,0,0|1,1,0]=3 44 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,1,0,0,0,0|1,1,0]=3 50 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.8 COS(=O)(=O)OC Z104473216 [0,1,0,0,0,0|2,0,0]=3 53 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,0,0,1,0,0|2,0,0]=3 54 B3R0.1 NCCO Z104473700 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 OCCS Z104473584 [2,0,0,0,0,0|2,0,0]=4 56 B3R0.2 CC(=O)N Z33546370 [2,0,0,0,0,0|2,0,0]=4 57 B3R0.2 CC(=O)O Z1954803614 [2,0,0,0,0,0|1,0,0]=3 58 B3R0.2 CC(=O)[S-] Z1142554016 [2,0,0,0,0,0|1,1,0]=4 59 B5R0.1 C#CCC(=O)O Z295890060 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.1 CCCC(=O)O Z104495380 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.1 CNCC(=O)O Z104480276 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.1 COCC(=O)O Z104477404 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.1 N#CCC(=O)O Z104476112 [1,1,0,0,0,0|2,0,0]=4 64 B5R0.1 NCCC(=O)O Z57127544 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.1 NOCC(=O)O Z90662171 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 O=C(O)CCCl Z203045320 [1,1,0,0,0,0|1,1,0]=4 68 B5R0.1 O=C(O)CCS Z104474322 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 O=C(O)CNO Z1205493750 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.3 COC(=O)CN Z57042020 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.3 O=C(CO)CO Z1255442144 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(Br)C(=O)O Z57127555 [1,1,0,0,0,0|1,1,0]=4 73 B5R0.5 CC(C)C(=O)O Z104473380 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,1,0,0,0,0|1,1,0]=4 75 B5R0.5 CC(N)C(=O)O Z57396987 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.5 CC(S)C(=O)O Z104477082 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,1,0,0,0,0|1,1,0]=4 80 B5R0.5 O=C(O)C(F)F Z104474070 [1,1,0,0,0,0|1,1,0]=4 81 B7R0.8 C#CCCS(=O)(=O)N Z1180069291 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.8 C#CCNS(=O)(=O)C Z133701986 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.8 CC#CCS(=O)(=O)N Z1180069210 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,2,0,0,0,0|1,0,0]=3 88 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.8 CS(=O)(=O)CCC#N Z608063222 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.8 CS(=O)(=O)NCC#N Z600498676 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.8 CS(=O)(=O)NCCN Z285224518 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.8 N#CCCS(=O)(=O)N Z734460668 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.8 NCCNS(=O)(=O)N Z3487421172 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.9 CS(=O)(=O)CC(=N)N Z1431905458 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.9 CS(=O)(=O)CC(=S)N Z803153250 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.9 NC(=O)CS(=O)(=O)N Z1203582027 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.11 C=CCS(=O)(=O)CC Z1255502034 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.11 CCCS(=O)(=O)NC Z55026691 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.11 CCS(=O)(=O)CCN Z424776794 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.11 CNS(=O)(=O)CC#N Z871802122 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.11 CNS(=O)(=O)CCN Z1778350436 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.14 CC(C#N)S(=O)(=O)C Z844646608 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.14 CCN(C)S(=O)(=O)N Z409026870 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.13 CNS(=O)(=O)C(C)C Z599618878 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.13 CNS(=O)(=O)C(F)F Z335450080 [0,2,0,0,0,0|1,1,0]=4 120 B7R0.17 CC(C)(C)S(=O)(=O)C Z1726051877 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.17 CC(C)(C)S(=O)(=O)N Z991943148 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.17 O=S(=O)(O)C(F)(F)F Z104509352 [0,2,0,0,0,0|0,1,0]=3 123 B5R1.2 O=C1CCO1 Z1089877620 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.14 O=S1(=O)CC=CC1 Z57161872 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.14 O=S1(=O)CCCN1 Z359508120 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.16 NC1CS(=O)(=O)C1 Z1614337716 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.26 NS(=O)(=O)C1CC1 Z1233201610 [0,1,0,1,0,0|2,0,0]=4