0 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 CCNC(=O)CCCl Z239813542 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.7 CCNC(=O)CCN Z1449756826 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 CCNC(=O)CCO Z975909368 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 CCNC(=O)CNC Z594038090 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.7 CCOC(=N)CSC Z4498865780 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.7 CCOC(=O)CC#N Z104473162 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCOC(=O)CNC Z1262237263 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.7 CCOC(=O)OCC Z104482516 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.7 CCOC(C)OCC Z104476998 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 C#CC(=O)OCC Z104478880 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCC(=O)COC Z825742020 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCCC(=O)CN Z1203579017 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCNC(=O)CN Z54747476 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCNC(=O)CO Z431952024 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CCNC(C)CC Z2509351098 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CCOC(=N)CC Z3033961910 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CN Z594038186 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCOC(=O)CO Z385458066 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCOC(=O)NN Z104478458 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CCOC(C)CN Z844631802 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCS(=O)CCN Z1266854910 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 CNCC(=O)OC Z89264972 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.1 CCNC(=O)NCCO Z425745170 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.1 CCNCC(=O)NCC Z55849446 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.1 CCOC(=O)NCCO Z31725113 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.22 CCOC(C#N)OCC Z1117910237 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.22 CCOC(CN)OCC Z104477928 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.11 CCC1CCNC1=O Z1203732458 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.11 CCN1CCCC1=O Z1255438420 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.11 CCN1CCNC1=O Z1179328150 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,0,0,1,0,0|3,0,0]=4 55 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,1,0]=4 59 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|0,1,0]=3 60 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.3 CCC(=O)CN Z1203579016 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 COC(=O)CN Z57042020 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.5 CCOC(=O)C(F)F Z361436550 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.1 CCCCOCCN Z409191398 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.1 CCNCCOCC Z138138014 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.5 C=CCOCC(=O)OCC Z362807784 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.5 CCCNCC(=O)OCC Z235653500 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.5 CCOC(=O)CCCCN Z1741976369 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.5 CCOC(=O)COCCN Z2235644494 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.8 CCN(C)C(=O)OCCN Z3899878398 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.18 CCOCC(=O)NCCN Z1455675677 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.18 CCOCC(=O)NOCC Z281502126 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.35 CCOC(=O)N(C)CCO Z371625298 [0,2,0,0,0,0|2,0,0]=4 94 B9R0.48 CCOC(=O)CCN(C)C Z104477518 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.66 CCOP(=O)(O)CCCN Z1713622085 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [0,2,0,0,0,0|2,0,0]=4 98 B9R0.19 CCOC(=O)C(C)(O)CC Z965048274 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [0,2,0,0,0,0|2,0,0]=4 100 B9R0.37 CCOC(=O)C(C#N)CC Z878447228 [0,2,0,0,0,0|2,0,0]=4 101 B9R0.37 CCOC(=O)C(CC)CC Z425641124 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.44 CCNC(=O)OC(C)(C)C Z1157675253 [0,2,0,0,0,0|2,0,0]=4 103 B9R0.44 CCOC(=O)CC(C)(C)O Z982131236 [0,2,0,0,0,0|2,0,0]=4 104 B9R0.15 CCOC(OCC)C(C)N Z336087868 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.17 CCOC(CCN)OCC Z966335122 [0,2,0,0,0,0|2,0,0]=4 106 B9R0.59 CCOP(=O)(CCl)OCC Z56767065 [0,2,0,0,0,0|0,0,0]=2 107 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,1,0]=4 119 B9R1.33 O=C1OCCN1CCO Z425795034 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.75 CCOC(=O)CC1CC1 Z380123288 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.75 CCOC(=O)CC1CO1 Z1255420015 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.75 CCOC(=O)C[C@@H]1CO1 Z1198160302 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.75 CCOC(=O)C[C@H]1CO1 Z1255395520 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.100 NCCOC(=O)C1CC1 Z1992316419 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.183 CCOC(=O)[C@@H]1O[C@H]1C Z4066615591 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.183 CCOC(=O)[C@H]1O[C@H]1C Z1201618591 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.43 CCOC(C=O)C1CC1 Z2178582008 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.175 CCOC1(CCC1)C=O Z3243444616 [0,1,0,1,0,0|2,0,0]=4 129 B9R2.33 O=C1NC2CCC2O1 Z1203735217 [0,0,0,2,0,0|2,0,0]=4